AS object created. control filepath is: /data/PSVS/PSVS-v1.4-dev/results/HR4435B_R3Cons_em_bcr3/rpf_calc/input/ctrl_file bmrb: chem_shift.bmrb sequence: HR4435B_R3Cons_em_bcr3_seq.bmrb parsing bmrb: /data/PSVS/PSVS-v1.4-dev/results/HR4435B_R3Cons_em_bcr3/rpf_calc/input/chem_shift.bmrb new residue 11 adding: *1* *11* *MET* *HA* *H* *4.611* *.* *1* old residue 11 adding: *2* *11* *MET* *HB2* *H* *3.072* *.* *1* old residue 11 adding: *3* *11* *MET* *HB3* *H* *3.072* *.* *1* old residue 11 adding: *4* *11* *MET* *CA* *C* *56.308* *.* *1* old residue 11 adding: *5* *11* *MET* *CB* *C* *30.305* *.* *1* old residue 11 adding: *9000* *11* *MET* *C* *C* *174.809* *.* *1* new residue 12 adding: *6* *12* *LEU* *H* *H* *7.993* *.* *1* old residue 12 adding: *8886* *12* *LEU* *HA* *H* *4.13* *.* *1* old residue 12 adding: *8887* *12* *LEU* *HB2* *H* *1.788* *.* *2* old residue 12 adding: *8888* *12* *LEU* *HB3* *H* *1.788* *.* *2* old residue 12 adding: *8889* *12* *LEU* *HG* *H* *1.12* *.* *1* old residue 12 adding: *8890* *12* *LEU* *HD1* *H* *0.97* *.* *2* old residue 12 adding: *8891* *12* *LEU* *HD2* *H* *0.737* *.* *2* old residue 12 adding: *7* *12* *LEU* *CA* *C* *61.053* *.* *1* old residue 12 adding: *8892* *12* *LEU* *CB* *C* *38.62* *.* *1* old residue 12 adding: *8893* *12* *LEU* *CG* *C* *27.31* *.* *1* old residue 12 adding: *8894* *12* *LEU* *CD1* *C* *17.65* *.* *2* old residue 12 adding: *8* *12* *LEU* *N* *N* *122.279* *.* *1* new residue 13 adding: *8899* *13* *PRO* *HA* *H* *4.687* *.* *2* old residue 13 adding: *9* *13* *PRO* *HB2* *H* *2.383* *.* *2* old residue 13 adding: *10* *13* *PRO* *HB3* *H* *1.914* *.* *2* old residue 13 adding: *8989* *13* *PRO* *HG2* *H* *2.022* *.* *2* old residue 13 adding: *8990* *13* *PRO* *HG3* *H* *2.022* *.* *2* old residue 13 adding: *11* *13* *PRO* *HD2* *H* *3.538* *.* *2* old residue 13 adding: *12* *13* *PRO* *HD3* *H* *3.891* *.* *2* old residue 13 adding: *13* *13* *PRO* *CA* *C* *61.568* *.* *1* old residue 13 adding: *14* *13* *PRO* *CB* *C* *31.219* *.* *1* old residue 13 adding: *15* *13* *PRO* *CG* *C* *27.78* *.* *1* old residue 13 adding: *16* *13* *PRO* *CD* *C* *50.672* *.* *1* new residue 14 adding: *17* *14* *PRO* *HA* *H* *4.129* *.* *1* old residue 14 adding: *18* *14* *PRO* *HB2* *H* *1.799* *.* *2* old residue 14 adding: *19* *14* *PRO* *HB3* *H* *2.218* *.* *2* old residue 14 adding: *20* *14* *PRO* *HG2* *H* *1.686* *.* *2* old residue 14 adding: *21* *14* *PRO* *HG3* *H* *1.964* *.* *2* old residue 14 adding: *22* *14* *PRO* *HD2* *H* *3.634* *.* *2* old residue 14 adding: *23* *14* *PRO* *HD3* *H* *3.829* *.* *2* old residue 14 adding: *24* *14* *PRO* *CA* *C* *64.68* *.* *1* old residue 14 adding: *25* *14* *PRO* *CB* *C* *32.257* *.* *1* old residue 14 adding: *26* *14* *PRO* *CG* *C* *27.601* *.* *1* old residue 14 adding: *27* *14* *PRO* *CD* *C* *50.652* *.* *1* old residue 14 adding: *9002* *14* *PRO* *C* *C* *177.029* *.* *1* new residue 15 adding: *28* *15* *GLU* *H* *H* *8.997* *.* *1* old residue 15 adding: *29* *15* *GLU* *HA* *H* *4.075* *.* *1* old residue 15 adding: *30* *15* *GLU* *HB2* *H* *1.978* *.* *2* old residue 15 adding: *31* *15* *GLU* *HB3* *H* *1.977* *.* *2* old residue 15 adding: *32* *15* *GLU* *HG2* *H* *2.235* *.* *2* old residue 15 adding: *1132* *15* *GLU* *HG3* *H* *2.235* *.* *2* old residue 15 adding: *33* *15* *GLU* *CA* *C* *58.265* *.* *1* old residue 15 adding: *34* *15* *GLU* *CB* *C* *29.104* *.* *1* old residue 15 adding: *35* *15* *GLU* *CG* *C* *36.472* *.* *1* old residue 15 adding: *36* *15* *GLU* *N* *N* *116.877* *.* *1* old residue 15 adding: *9003* *15* *GLU* *C* *C* *176.86* *.* *1* new residue 16 adding: *37* *16* *GLN* *H* *H* *8.364* *.* *1* old residue 16 adding: *38* *16* *GLN* *HA* *H* *4.417* *.* *1* old residue 16 adding: *39* *16* *GLN* *HB2* *H* *1.872* *.* *2* old residue 16 adding: *40* *16* *GLN* *HB3* *H* *2.234* *.* *2* old residue 16 adding: *41* *16* *GLN* *HG2* *H* *2.269* *.* *2* old residue 16 adding: *42* *16* *GLN* *HG3* *H* *2.269* *.* *2* old residue 16 adding: *43* *16* *GLN* *CA* *C* *55.521* *.* *1* old residue 16 adding: *44* *16* *GLN* *CB* *C* *29.90* *.* *1* old residue 16 adding: *45* *16* *GLN* *CG* *C* *34.052* *.* *1* old residue 16 adding: *46* *16* *GLN* *N* *N* *119.163* *.* *1* old residue 16 adding: *8221* *16* *GLN* *NE2* *N* *112.4* *.* *1* old residue 16 adding: *8215* *16* *GLN* *HE21* *H* *6.81* *.* *2* old residue 16 adding: *8216* *16* *GLN* *HE22* *H* *7.55* *.* *2* old residue 16 adding: *9004* *16* *GLN* *C* *C* *176.023* *.* *1* new residue 17 adding: *47* *17* *TRP* *H* *H* *8.457* *.* *1* old residue 17 adding: *48* *17* *TRP* *HA* *H* *4.216* *.* *1* old residue 17 adding: *49* *17* *TRP* *HB2* *H* *2.919* *.* *2* old residue 17 adding: *50* *17* *TRP* *HB3* *H* *3.059* *.* *2* old residue 17 adding: *51* *17* *TRP* *CA* *C* *59.496* *.* *1* old residue 17 adding: *9952* *17* *TRP* *CB* *C* *29.005* *.* *1* old residue 17 adding: *9950* *17* *TRP* *CD1* *C* *127.37* *.* *1* old residue 17 adding: *9951* *17* *TRP* *HD1* *H* *7.498* *.* *1* old residue 17 adding: *9949* *17* *TRP* *CZ2* *C* *114.6* *.* *1* old residue 17 adding: *9948* *17* *TRP* *HZ2* *H* *7.464* *.* *1* old residue 17 adding: *9947* *17* *TRP* *CH2* *C* *123.7* *.* *1* old residue 17 adding: *9946* *17* *TRP* *HH2* *H* *6.598* *.* *1* old residue 17 adding: *9945* *17* *TRP* *CZ3* *C* *121.06* *.* *1* old residue 17 adding: *9944* *17* *TRP* *HZ3* *H* *6.847* *.* *1* old residue 17 adding: *9943* *17* *TRP* *CE3* *C* *120.0* *.* *1* old residue 17 adding: *9942* *17* *TRP* *HE3* *H* *7.46* *.* *1* old residue 17 adding: *53* *17* *TRP* *N* *N* *123.943* *.* *1* old residue 17 adding: *9953* *17* *TRP* *NE1* *N* *129.7* *.* *1* old residue 17 adding: *9954* *17* *TRP* *HE1* *H* *10.08* *.* *1* old residue 17 adding: *9005* *17* *TRP* *C* *C* *174.779* *.* *1* new residue 18 adding: *54* *18* *SER* *H* *H* *8.359* *.* *1* old residue 18 adding: *55* *18* *SER* *HA* *H* *4.513* *.* *1* old residue 18 adding: *56* *18* *SER* *HB2* *H* *4.272* *.* *2* old residue 18 adding: *57* *18* *SER* *HB3* *H* *3.852* *.* *2* old residue 18 adding: *58* *18* *SER* *CA* *C* *55.99* *.* *1* old residue 18 adding: *59* *18* *SER* *CB* *C* *66.818* *.* *1* old residue 18 adding: *60* *18* *SER* *N* *N* *117.131* *.* *1* new residue 19 adding: *61* *19* *HIS* *H* *H* *8.835* *.* *1* old residue 19 adding: *62* *19* *HIS* *HA* *H* *3.948* *.* *1* old residue 19 adding: *63* *19* *HIS* *HB2* *H* *2.929* *.* *2* old residue 19 adding: *64* *19* *HIS* *HB3* *H* *2.812* *.* *2* old residue 19 adding: *65* *19* *HIS* *CA* *C* *61.370* *.* *1* old residue 19 adding: *66* *19* *HIS* *CB* *C* *30.306* *.* *1* old residue 19 adding: *67* *19* *HIS* *N* *N* *120.098* *.* *1* old residue 19 adding: *7767* *19* *HIS* *HD2* *H* *6.701* *.* *1* old residue 19 adding: *7766* *19* *HIS* *CD2* *C* *118.2* *.* *1* old residue 19 adding: *9007* *19* *HIS* *C* *C* *177.241* *.* *1* new residue 20 adding: *68* *20* *THR* *H* *H* *7.715* *.* *1* old residue 20 adding: *69* *20* *THR* *HB* *H* *3.890* *.* *1* old residue 20 adding: *70* *20* *THR* *HA* *H* *3.750* *.* *1* old residue 20 adding: *71* *20* *THR* *HG2* *H* *1.075* *.* *2* old residue 20 adding: *72* *20* *THR* *CA* *C* *66.06* *.* *1* old residue 20 adding: *73* *20* *THR* *CB* *C* *68.50* *.* *1* old residue 20 adding: *74* *20* *THR* *CG2* *C* *21.866* *.* *2* old residue 20 adding: *75* *20* *THR* *N* *N* *114.052* *.* *1* old residue 20 adding: *9020* *20* *THR* *C* *C* *175.401* *.* *1* new residue 21 adding: *76* *21* *THR* *H* *H* *7.366* *.* *1* old residue 21 adding: *77* *21* *THR* *HA* *H* *3.672* *.* *1* old residue 21 adding: *3377* *21* *THR* *HB* *H* *3.748* *.* *1* old residue 21 adding: *78* *21* *THR* *HG2* *H* *0.205* *.* *2* old residue 21 adding: *79* *21* *THR* *CA* *C* *65.14* *.* *1* old residue 21 adding: *80* *21* *THR* *CB* *C* *68.660* *.* *1* old residue 21 adding: *81* *21* *THR* *CG2* *C* *22.584* *.* *2* old residue 21 adding: *82* *21* *THR* *N* *N* *117.272* *.* *1* old residue 21 adding: *9021* *21* *THR* *C* *C* *178.441* *.* *1* new residue 22 adding: *83* *22* *VAL* *H* *H* *8.245* *.* *1* old residue 22 adding: *84* *22* *VAL* *HA* *H* *3.499* *.* *1* old residue 22 adding: *85* *22* *VAL* *HB* *H* *2.055* *.* *1* old residue 22 adding: *86* *22* *VAL* *HG1* *H* *1.195* *.* *2* old residue 22 adding: *87* *22* *VAL* *HG2* *H* *0.126* *.* *2* old residue 22 adding: *88* *22* *VAL* *CA* *C* *66.994* *.* *1* old residue 22 adding: *89* *22* *VAL* *CB* *C* *31.34* *.* *1* old residue 22 adding: *90* *22* *VAL* *CG1* *C* *23.98* *.* *2* old residue 22 adding: *91* *22* *VAL* *CG2* *C* *20.885* *.* *2* old residue 22 adding: *92* *22* *VAL* *N* *N* *121.128* *.* *1* old residue 22 adding: *9022* *22* *VAL* *C* *C* *176.627* *.* *1* new residue 23 adding: *93* *23* *ARG* *H* *H* *8.357* *.* *1* old residue 23 adding: *94* *23* *ARG* *HA* *H* *3.453* *.* *1* old residue 23 adding: *95* *23* *ARG* *HB2* *H* *1.938* *.* *2* old residue 23 adding: *96* *23* *ARG* *HB3* *H* *1.621* *.* *2* old residue 23 adding: *7795* *23* *ARG* *HG2* *H* *1.479* *.* *2* old residue 23 adding: *7796* *23* *ARG* *HG3* *H* *1.334* *.* *2* old residue 23 adding: *7794* *23* *ARG* *HD2* *H* *3.267* *.* *2* old residue 23 adding: *7793* *23* *ARG* *HD3* *H* *3.267* *.* *2* old residue 23 adding: *97* *23* *ARG* *CA* *C* *61.016* *.* *1* old residue 23 adding: *98* *23* *ARG* *CB* *C* *29.460* *.* *1* old residue 23 adding: *99* *23* *ARG* *CG* *C* *28.45* *.* *1* old residue 23 adding: *100* *23* *ARG* *CD* *C* *43.404* *.* *1* old residue 23 adding: *101* *23* *ARG* *N* *N* *120.207* *.* *1* old residue 23 adding: *9023* *23* *ARG* *C* *C* *177.705* *.* *1* new residue 24 adding: *102* *24* *ASN* *H* *H* *8.084* *.* *1* old residue 24 adding: *103* *24* *ASN* *HA* *H* *4.322* *.* *1* old residue 24 adding: *104* *24* *ASN* *HB2* *H* *2.790* *.* *2* old residue 24 adding: *105* *24* *ASN* *HB3* *H* *2.687* *.* *2* old residue 24 adding: *106* *24* *ASN* *CA* *C* *55.773* *.* *1* old residue 24 adding: *107* *24* *ASN* *CB* *C* *37.474* *.* *1* old residue 24 adding: *108* *24* *ASN* *N* *N* *116.048* *.* *1* old residue 24 adding: *5203* *24* *ASN* *HD21* *H* *6.913* *.* *2* old residue 24 adding: *5204* *24* *ASN* *HD22* *H* *7.578* *.* *2* old residue 24 adding: *5208* *24* *ASN* *ND2* *N* *112.3* *.* *1* old residue 24 adding: *9024* *24* *ASN* *C* *C* *177.832* *.* *1* new residue 25 adding: *109* *25* *ALA* *H* *H* *7.842* *.* *1* old residue 25 adding: *110* *25* *ALA* *HA* *H* *4.242* *.* *1* old residue 25 adding: *111* *25* *ALA* *HB* *H* *1.416* *.* *1* old residue 25 adding: *112* *25* *ALA* *CA* *C* *55.312* *.* *1* old residue 25 adding: *113* *25* *ALA* *CB* *C* *18.500* *.* *1* old residue 25 adding: *114* *25* *ALA* *N* *N* *123.506* *.* *1* old residue 25 adding: *9025* *25* *ALA* *C* *C* *178.995* *.* *1* new residue 26 adding: *115* *26* *LEU* *H* *H* *8.691* *.* *1* old residue 26 adding: *116* *26* *LEU* *HA* *H* *4.044* *.* *1* old residue 26 adding: *117* *26* *LEU* *HB2* *H* *1.059* *.* *2* old residue 26 adding: *1118* *26* *LEU* *HB3* *H* *1.926* *.* *2* old residue 26 adding: *118* *26* *LEU* *HG* *H* *1.336* *.* *1* old residue 26 adding: *119* *26* *LEU* *HD1* *H* *0.791* *.* *2* old residue 26 adding: *1119* *26* *LEU* *HD2* *H* *0.551* *.* *2* old residue 26 adding: *120* *26* *LEU* *CA* *C* *58.307* *.* *1* old residue 26 adding: *121* *26* *LEU* *CB* *C* *42.28* *.* *1* old residue 26 adding: *122* *26* *LEU* *CG* *C* *27.13* *.* *1* old residue 26 adding: *123* *26* *LEU* *CD1* *C* *24.667* *.* *2* old residue 26 adding: *124* *26* *LEU* *CD2* *C* *26.93* *.* *2* old residue 26 adding: *125* *26* *LEU* *N* *N* *117.957* *.* *1* old residue 26 adding: *9026* *26* *LEU* *C* *C* *178.488* *.* *1* new residue 27 adding: *126* *27* *LYS* *H* *H* *8.164* *.* *1* old residue 27 adding: *127* *27* *LYS* *HA* *H* *3.869* *.* *1* old residue 27 adding: *128* *27* *LYS* *HB2* *H* *1.861* *.* *2* old residue 27 adding: *129* *27* *LYS* *HB3* *H* *1.861* *.* *2* old residue 27 adding: *2128* *27* *LYS* *HG2* *H* *1.436* *.* *2* old residue 27 adding: *2129* *27* *LYS* *HG3* *H* *1.718* *.* *2* old residue 27 adding: *2127* *27* *LYS* *HD2* *H* *1.677* *.* *2* old residue 27 adding: *2126* *27* *LYS* *HD3* *H* *1.677* *.* *2* old residue 27 adding: *130* *27* *LYS* *CA* *C* *60.275* *.* *1* old residue 27 adding: *131* *27* *LYS* *CB* *C* *31.716* *.* *1* old residue 27 adding: *132* *27* *LYS* *CG* *C* *25.76* *.* *1* old residue 27 adding: *133* *27* *LYS* *CD* *C* *29.398* *.* *1* old residue 27 adding: *134* *27* *LYS* *CE* *C* *41.848* *.* *1* old residue 27 adding: *135* *27* *LYS* *N* *N* *116.679* *.* *1* old residue 27 adding: *9027* *27* *LYS* *C* *C* *179.177* *.* *1* new residue 28 adding: *136* *28* *ASP* *H* *H* *7.421* *.* *1* old residue 28 adding: *137* *28* *ASP* *HA* *H* *4.483* *.* *1* old residue 28 adding: *138* *28* *ASP* *HB2* *H* *2.895* *.* *2* old residue 28 adding: *139* *28* *ASP* *HB3* *H* *2.954* *.* *2* old residue 28 adding: *140* *28* *ASP* *CA* *C* *57.708* *.* *1* old residue 28 adding: *141* *28* *ASP* *CB* *C* *41.33* *.* *1* old residue 28 adding: *142* *28* *ASP* *N* *N* *118.199* *.* *1* old residue 28 adding: *9028* *28* *ASP* *C* *C* *179.194* *.* *1* new residue 29 adding: *143* *29* *LEU* *H* *H* *8.542* *.* *1* old residue 29 adding: *144* *29* *LEU* *HA* *H* *4.285* *.* *1* old residue 29 adding: *145* *29* *LEU* *HB2* *H* *1.657* *.* *2* old residue 29 adding: *146* *29* *LEU* *HB3* *H* *2.178* *.* *2* old residue 29 adding: *1147* *29* *LEU* *HG* *H* *2.317* *.* *1* old residue 29 adding: *147* *29* *LEU* *HD2* *H* *1.171* *.* *2* old residue 29 adding: *7147* *29* *LEU* *HD1* *H* *1.171* *.* *2* old residue 29 adding: *148* *29* *LEU* *CA* *C* *58.11* *.* *1* old residue 29 adding: *149* *29* *LEU* *CB* *C* *43.179* *.* *1* old residue 29 adding: *150* *29* *LEU* *CG* *C* *27.33* *.* *1* old residue 29 adding: *151* *29* *LEU* *CD2* *C* *24.065* *.* *2* old residue 29 adding: *7151* *29* *LEU* *CD1* *C* *24.065* *.* *2* old residue 29 adding: *152* *29* *LEU* *N* *N* *121.732* *.* *1* old residue 29 adding: *9029* *29* *LEU* *C* *C* *179.716* *.* *1* new residue 30 adding: *153* *30* *LEU* *H* *H* *8.375* *.* *1* old residue 30 adding: *154* *30* *LEU* *HA* *H* *4.751* *.* *1* old residue 30 adding: *155* *30* *LEU* *HB2* *H* *1.797* *.* *2* old residue 30 adding: *156* *30* *LEU* *HB3* *H* *1.658* *.* *2* old residue 30 adding: *157* *30* *LEU* *HG* *H* *1.799* *.* *1* old residue 30 adding: *158* *30* *LEU* *HD2* *H* *0.774* *.* *2* old residue 30 adding: *7158* *30* *LEU* *HD1* *H* *0.812* *.* *2* old residue 30 adding: *159* *30* *LEU* *CA* *C* *56.132* *.* *1* old residue 30 adding: *160* *30* *LEU* *CB* *C* *41.053* *.* *1* old residue 30 adding: *161* *30* *LEU* *CG* *C* *27.24* *.* *1* old residue 30 adding: *162* *30* *LEU* *CD2* *C* *26.18* *.* *2* old residue 30 adding: *7162* *30* *LEU* *CD1* *C* *23.113* *.* *2* old residue 30 adding: *163* *30* *LEU* *N* *N* *116.988* *.* *1* old residue 30 adding: *9030* *30* *LEU* *C* *C* *177.905* *.* *1* new residue 31 adding: *165* *31* *LYS* *H* *H* *7.356* *.* *1* old residue 31 adding: *166* *31* *LYS* *HA* *H* *4.160* *.* *1* old residue 31 adding: *167* *31* *LYS* *HB2* *H* *1.887* *.* *2* old residue 31 adding: *168* *31* *LYS* *HB3* *H* *1.887* *.* *2* old residue 31 adding: *169* *31* *LYS* *HG2* *H* *1.497* *.* *2* old residue 31 adding: *170* *31* *LYS* *HG3* *H* *1.745* *.* *2* old residue 31 adding: *171* *31* *LYS* *HD2* *H* *1.758* *.* *2* old residue 31 adding: *172* *31* *LYS* *HD3* *H* *1.758* *.* *2* old residue 31 adding: *173* *31* *LYS* *HE2* *H* *3.025* *.* *2* old residue 31 adding: *174* *31* *LYS* *HE3* *H* *3.025* *.* *2* old residue 31 adding: *175* *31* *LYS* *CA* *C* *58.914* *.* *1* old residue 31 adding: *176* *31* *LYS* *CB* *C* *32.407* *.* *1* old residue 31 adding: *177* *31* *LYS* *CG* *C* *24.89* *.* *1* old residue 31 adding: *178* *31* *LYS* *CD* *C* *29.28* *.* *1* old residue 31 adding: *180* *31* *LYS* *CE* *C* *42.211* *.* *1* old residue 31 adding: *181* *31* *LYS* *N* *N* *118.384* *.* *1* old residue 31 adding: *9031* *31* *LYS* *C* *C* *177.685* *.* *1* new residue 32 adding: *182* *32* *ASP* *H* *H* *7.531* *.* *1* old residue 32 adding: *183* *32* *ASP* *HA* *H* *4.898* *.* *1* old residue 32 adding: *184* *32* *ASP* *HB2* *H* *2.823* *.* *2* old residue 32 adding: *185* *32* *ASP* *HB3* *H* *2.673* *.* *2* old residue 32 adding: *186* *32* *ASP* *CA* *C* *54.685* *.* *1* old residue 32 adding: *187* *32* *ASP* *CB* *C* *43.536* *.* *1* old residue 32 adding: *188* *32* *ASP* *N* *N* *115.412* *.* *1* old residue 32 adding: *9032* *32* *ASP* *C* *C* *175.336* *.* *1* new residue 33 adding: *189* *33* *MET* *H* *H* *7.912* *.* *1* old residue 33 adding: *190* *33* *MET* *HA* *H* *4.668* *.* *1* old residue 33 adding: *191* *33* *MET* *HB2* *H* *1.961* *.* *2* old residue 33 adding: *192* *33* *MET* *HB3* *H* *2.108* *.* *2* old residue 33 adding: *193* *33* *MET* *HG2* *H* *2.511* *.* *2* old residue 33 adding: *194* *33* *MET* *HG3* *H* *2.609* *.* *2* old residue 33 adding: *195* *33* *MET* *CA* *C* *54.747* *.* *1* old residue 33 adding: *196* *33* *MET* *CB* *C* *36.099* *.* *1* old residue 33 adding: *197* *33* *MET* *CG* *C* *30.747* *.* *1* old residue 33 adding: *8197* *33* *MET* *CE* *C* *16.71* *.* *1* old residue 33 adding: *8198* *33* *MET* *HE* *H* *2.116* *.* *1* old residue 33 adding: *198* *33* *MET* *N* *N* *118.971* *.* *1* old residue 33 adding: *9033* *33* *MET* *C* *C* *173.380* *.* *1* new residue 34 adding: *199* *34* *ASN* *H* *H* *8.208* *.* *1* old residue 34 adding: *200* *34* *ASN* *HA* *H* *4.837* *.* *1* old residue 34 adding: *201* *34* *ASN* *HB2* *H* *3.132* *.* *2* old residue 34 adding: *202* *34* *ASN* *HB3* *H* *2.862* *.* *2* old residue 34 adding: *203* *34* *ASN* *HD21* *H* *7.681* *.* *2* old residue 34 adding: *204* *34* *ASN* *HD22* *H* *6.977* *.* *2* old residue 34 adding: *205* *34* *ASN* *CA* *C* *52.054* *.* *1* old residue 34 adding: *206* *34* *ASN* *CB* *C* *39.349* *.* *1* old residue 34 adding: *207* *34* *ASN* *N* *N* *116.256* *.* *1* old residue 34 adding: *208* *34* *ASN* *ND2* *N* *113.60* *.* *1* old residue 34 adding: *9034* *34* *ASN* *C* *C* *176.268* *.* *1* new residue 35 adding: *209* *35* *GLN* *H* *H* *8.858* *.* *1* old residue 35 adding: *210* *35* *GLN* *HA* *H* *3.796* *.* *1* old residue 35 adding: *211* *35* *GLN* *HB2* *H* *2.054* *.* *2* old residue 35 adding: *212* *35* *GLN* *HB3* *H* *2.054* *.* *2* old residue 35 adding: *213* *35* *GLN* *HG2* *H* *2.409* *.* *2* old residue 35 adding: *214* *35* *GLN* *HG3* *H* *2.409* *.* *2* old residue 35 adding: *215* *35* *GLN* *HE21* *H* *6.74* *.* *2* old residue 35 adding: *216* *35* *GLN* *HE22* *H* *7.228* *.* *2* old residue 35 adding: *217* *35* *GLN* *CA* *C* *60.248* *.* *1* old residue 35 adding: *218* *35* *GLN* *CB* *C* *28.854* *.* *1* old residue 35 adding: *219* *35* *GLN* *CG* *C* *34.589* *.* *1* old residue 35 adding: *220* *35* *GLN* *N* *N* *119.983* *.* *1* old residue 35 adding: *221* *35* *GLN* *NE2* *N* *109.70* *.* *1* old residue 35 adding: *9035* *35* *GLN* *C* *C* *177.669* *.* *1* new residue 36 adding: *222* *36* *SER* *H* *H* *8.413* *.* *1* old residue 36 adding: *223* *36* *SER* *HA* *H* *4.060* *.* *1* old residue 36 adding: *224* *36* *SER* *HB2* *H* *3.858* *.* *2* old residue 36 adding: *225* *36* *SER* *HB3* *H* *3.858* *.* *2* old residue 36 adding: *226* *36* *SER* *CA* *C* *61.114* *.* *1* old residue 36 adding: *227* *36* *SER* *CB* *C* *62.462* *.* *1* old residue 36 adding: *228* *36* *SER* *N* *N* *114.335* *.* *1* old residue 36 adding: *9036* *36* *SER* *C* *C* *177.339* *.* *1* new residue 37 adding: *229* *37* *SER* *H* *H* *8.133* *.* *1* old residue 37 adding: *230* *37* *SER* *HA* *H* *4.248* *.* *1* old residue 37 adding: *231* *37* *SER* *HB2* *H* *3.955* *.* *2* old residue 37 adding: *232* *37* *SER* *HB3* *H* *3.955* *.* *2* old residue 37 adding: *233* *37* *SER* *CA* *C* *61.538* *.* *1* old residue 37 adding: *234* *37* *SER* *CB* *C* *62.971* *.* *1* old residue 37 adding: *235* *37* *SER* *N* *N* *118.759* *.* *1* old residue 37 adding: *9037* *37* *SER* *C* *C* *176.490* *.* *1* new residue 38 adding: *236* *38* *LEU* *H* *H* *8.106* *.* *1* old residue 38 adding: *237* *38* *LEU* *HA* *H* *4.074* *.* *1* old residue 38 adding: *238* *38* *LEU* *HB2* *H* *1.685* *.* *2* old residue 38 adding: *239* *38* *LEU* *HB3* *H* *1.508* *.* *2* old residue 38 adding: *4236* *38* *LEU* *HG* *H* *1.60* *.* *1* old residue 38 adding: *4237* *38* *LEU* *HD1* *H* *0.899* *.* *2* old residue 38 adding: *4238* *38* *LEU* *HD2* *H* *0.961* *.* *2* old residue 38 adding: *4239* *38* *LEU* *CG* *C* *27.76* *.* *1* old residue 38 adding: *4240* *38* *LEU* *CD1* *C* *26.63* *.* *2* old residue 38 adding: *4241* *38* *LEU* *CD2* *C* *24.77* *.* *2* old residue 38 adding: *240* *38* *LEU* *CA* *C* *57.41* *.* *1* old residue 38 adding: *241* *38* *LEU* *CB* *C* *41.756* *.* *1* old residue 38 adding: *242* *38* *LEU* *N* *N* *122.957* *.* *1* old residue 38 adding: *9038* *38* *LEU* *C* *C* *178.439* *.* *1* new residue 39 adding: *243* *39* *ALA* *H* *H* *8.088* *.* *1* old residue 39 adding: *244* *39* *ALA* *HA* *H* *4.012* *.* *1* old residue 39 adding: *245* *39* *ALA* *HB* *H* *1.388* *.* *1* old residue 39 adding: *246* *39* *ALA* *CA* *C* *54.431* *.* *1* old residue 39 adding: *247* *39* *ALA* *CB* *C* *18.467* *.* *1* old residue 39 adding: *248* *39* *ALA* *N* *N* *121.176* *.* *1* old residue 39 adding: *9039* *39* *ALA* *C* *C* *177.912* *.* *1* new residue 40 adding: *251* *40* *LYS* *H* *H* *7.317* *.* *1* old residue 40 adding: *252* *40* *LYS* *HA* *H* *4.068* *.* *1* old residue 40 adding: *253* *40* *LYS* *HB2* *H* *1.915* *.* *2* old residue 40 adding: *254* *40* *LYS* *HB3* *H* *1.915* *.* *2* old residue 40 adding: *255* *40* *LYS* *HG2* *H* *1.556* *.* *2* old residue 40 adding: *6255* *40* *LYS* *HG3* *H* *1.556* *.* *2* old residue 40 adding: *256* *40* *LYS* *HE2* *H* *2.961* *.* *2* old residue 40 adding: *257* *40* *LYS* *HE3* *H* *2.961* *.* *1* old residue 40 adding: *258* *40* *LYS* *CA* *C* *58.293* *.* *1* old residue 40 adding: *259* *40* *LYS* *CB* *C* *32.600* *.* *1* old residue 40 adding: *260* *40* *LYS* *CG* *C* *25.049* *.* *1* old residue 40 adding: *261* *40* *LYS* *CD* *C* *29.275* *.* *1* old residue 40 adding: *263* *40* *LYS* *CE* *C* *42.117* *.* *1* old residue 40 adding: *264* *40* *LYS* *N* *N* *115.241* *.* *1* old residue 40 adding: *9040* *40* *LYS* *C* *C* *177.801* *.* *1* new residue 41 adding: *265* *41* *GLU* *H* *H* *7.385* *.* *1* old residue 41 adding: *266* *41* *GLU* *HA* *H* *4.295* *.* *1* old residue 41 adding: *267* *41* *GLU* *HB2* *H* *1.819* *.* *2* old residue 41 adding: *268* *41* *GLU* *HB3* *H* *2.205* *.* *2* old residue 41 adding: *269* *41* *GLU* *HG2* *H* *2.385* *.* *2* old residue 41 adding: *270* *41* *GLU* *HG3* *H* *2.312* *.* *2* old residue 41 adding: *271* *41* *GLU* *CA* *C* *56.856* *.* *1* old residue 41 adding: *272* *41* *GLU* *CB* *C* *31.868* *.* *1* old residue 41 adding: *273* *41* *GLU* *CG* *C* *35.748* *.* *1* old residue 41 adding: *274* *41* *GLU* *N* *N* *115.291* *.* *1* old residue 41 adding: *9041* *41* *GLN* *C* *C* *175.473* *.* *1* new residue 42 adding: *275* *42* *CYS* *H* *H* *7.629* *.* *1* old residue 42 adding: *1270* *42* *CYS* *HA* *H* *2.919* *.* *1* old residue 42 adding: *1271* *42* *CYS* *HB3* *H* *1.563* *.* *2* old residue 42 adding: *1272* *42* *CYS* *HB2* *H* *1.563* *.* *2* old residue 42 adding: *276* *42* *CYS* *CA* *C* *55.861* *.* *1* old residue 42 adding: *277* *42* *CYS* *CB* *C* *27.562* *.* *1* old residue 42 adding: *278* *42* *CYS* *N* *N* *117.545* *.* *1* new residue 43 adding: *279* *43* *PRO* *HA* *H* *4.382* *.* *1* old residue 43 adding: *280* *43* *PRO* *HB2* *H* *1.733* *.* *2* old residue 43 adding: *281* *43* *PRO* *HB3* *H* *2.227* *.* *2* old residue 43 adding: *282* *43* *PRO* *HG2* *H* *1.824* *.* *2* old residue 43 adding: *283* *43* *PRO* *HG3* *H* *1.548* *.* *2* old residue 43 adding: *284* *43* *PRO* *HD2* *H* *2.958* *.* *2* old residue 43 adding: *285* *43* *PRO* *HD3* *H* *2.714* *.* *2* old residue 43 adding: *286* *43* *PRO* *CA* *C* *64.024* *.* *1* old residue 43 adding: *287* *43* *PRO* *CB* *C* *31.697* *.* *1* old residue 43 adding: *288* *43* *PRO* *CG* *C* *27.434* *.* *1* old residue 43 adding: *289* *43* *PRO* *CD* *C* *50.254* *.* *1* old residue 43 adding: *9043* *43* *PRO* *C* *C* *175.654* *.* *1* new residue 44 adding: *290* *44* *LEU* *H* *H* *7.438* *.* *1* old residue 44 adding: *291* *44* *LEU* *HA* *H* *4.65* *.* *1* old residue 44 adding: *292* *44* *LEU* *HB2* *H* *1.249* *.* *2* old residue 44 adding: *293* *44* *LEU* *HB3* *H* *1.449* *.* *2* old residue 44 adding: *294* *44* *LEU* *HG* *H* *1.536* *.* *1* old residue 44 adding: *295* *44* *LEU* *HD2* *H* *0.725* *.* *2* old residue 44 adding: *7295* *44* *LEU* *HD1* *H* *0.414* *.* *2* old residue 44 adding: *296* *44* *LEU* *CA* *C* *53.055* *.* *1* old residue 44 adding: *297* *44* *LEU* *CB* *C* *43.638* *.* *1* old residue 44 adding: *298* *44* *LEU* *CG* *C* *27.05* *.* *1* old residue 44 adding: *7299* *44* *LEU* *CD1* *C* *26.90* *.* *2* old residue 44 adding: *299* *44* *LEU* *CD2* *C* *23.33* *.* *2* old residue 44 adding: *300* *44* *LEU* *N* *N* *118.932* *.* *1* old residue 44 adding: *9044* *44* *LEU* *C* *C* *175.153* *.* *1* new residue 45 adding: *301* *45* *SER* *H* *H* *7.842* *.* *1* old residue 45 adding: *302* *45* *SER* *HA* *H* *4.437* *.* *1* old residue 45 adding: *303* *45* *SER* *HB2* *H* *4.305* *.* *2* old residue 45 adding: *304* *45* *SER* *HB3* *H* *3.974* *.* *2* old residue 45 adding: *305* *45* *SER* *CA* *C* *56.716* *.* *1* old residue 45 adding: *306* *45* *SER* *CB* *C* *65.460* *.* *1* old residue 45 adding: *307* *45* *SER* *N* *N* *116.305* *.* *1* old residue 45 adding: *9045* *45* *SER* *C* *C* *174.798* *.* *1* new residue 46 adding: *308* *46* *GLN* *H* *H* *9.116* *.* *1* old residue 46 adding: *309* *46* *GLN* *HA* *H* *3.681* *.* *1* old residue 46 adding: *310* *46* *GLN* *HB2* *H* *1.995* *.* *2* old residue 46 adding: *311* *46* *GLN* *HB3* *H* *1.995* *.* *2* old residue 46 adding: *312* *46* *GLN* *HG2* *H* *2.272* *.* *2* old residue 46 adding: *313* *46* *GLN* *HG3* *H* *2.272* *.* *2* old residue 46 adding: *314* *46* *GLN* *HE21* *H* *6.795* *.* *2* old residue 46 adding: *315* *46* *GLN* *HE22* *H* *7.559* *.* *2* old residue 46 adding: *316* *46* *GLN* *CA* *C* *60.583* *.* *1* old residue 46 adding: *317* *46* *GLN* *CB* *C* *28.134* *.* *1* old residue 46 adding: *318* *46* *GLN* *CG* *C* *34.395* *.* *1* old residue 46 adding: *319* *46* *GLN* *N* *N* *120.751* *.* *1* old residue 46 adding: *320* *46* *GLN* *NE2* *N* *111.90* *.* *1* old residue 46 adding: *9046* *46* *GLN* *C* *C* *177.986* *.* *1* new residue 47 adding: *321* *47* *SER* *H* *H* *8.397* *.* *1* old residue 47 adding: *322* *47* *SER* *HA* *H* *4.091* *.* *1* old residue 47 adding: *323* *47* *SER* *HB2* *H* *3.783* *.* *2* old residue 47 adding: *324* *47* *SER* *HB3* *H* *3.783* *.* *2* old residue 47 adding: *325* *47* *SER* *CA* *C* *61.097* *.* *1* old residue 47 adding: *326* *47* *SER* *CB* *C* *62.426* *.* *1* old residue 47 adding: *327* *47* *SER* *N* *N* *112.912* *.* *1* old residue 47 adding: *9047* *47* *SER* *C* *C* *177.293* *.* *1* new residue 48 adding: *328* *48* *MET* *H* *H* *7.622* *.* *1* old residue 48 adding: *329* *48* *MET* *HA* *H* *4.024* *.* *1* old residue 48 adding: *330* *48* *MET* *HB2* *H* *2.494* *.* *2* old residue 48 adding: *331* *48* *MET* *HB3* *H* *2.553* *.* *2* old residue 48 adding: *7332* *48* *MET* *HG3* *H* *2.174* *.* *2* old residue 48 adding: *6332* *48* *MET* *HG2* *H* *2.174* *.* *2* old residue 48 adding: *332* *48* *MET* *HE* *H* *2.175* *.* *2* old residue 48 adding: *333* *48* *MET* *CA* *C* *59.074* *.* *1* old residue 48 adding: *334* *48* *MET* *CB* *C* *33.177* *.* *1* old residue 48 adding: *335* *48* *MET* *CG* *C* *33.133* *.* *1* old residue 48 adding: *6335* *48* *MET* *CE* *C* *17.75* *.* *1* old residue 48 adding: *336* *48* *MET* *N* *N* *123.332* *.* *1* old residue 48 adding: *9048* *48* *MET* *C* *C* *177.796* *.* *1* new residue 49 adding: *340* *49* *ILE* *H* *H* *8.305* *.* *1* old residue 49 adding: *341* *49* *ILE* *HA* *H* *3.194* *.* *1* old residue 49 adding: *342* *49* *ILE* *HB* *H* *1.779* *.* *1* old residue 49 adding: *343* *49* *ILE* *HG12* *H* *0.586* *.* *2* old residue 49 adding: *344* *49* *ILE* *HG13* *H* *1.629* *.* *2* old residue 49 adding: *345* *49* *ILE* *HG2* *H* *0.767* *.* *2* old residue 49 adding: *346* *49* *ILE* *HD1* *H* *0.537* *.* *2* old residue 49 adding: *347* *49* *ILE* *CA* *C* *66.429* *.* *1* old residue 49 adding: *348* *49* *ILE* *CB* *C* *38.457* *.* *1* old residue 49 adding: *349* *49* *ILE* *CG1* *C* *29.577* *.* *2* old residue 49 adding: *350* *49* *ILE* *CG2* *C* *17.056* *.* *2* old residue 49 adding: *351* *49* *ILE* *CD1* *C* *13.600* *.* *2* old residue 49 adding: *352* *49* *ILE* *N* *N* *119.136* *.* *1* old residue 49 adding: *9049* *49* *ILE* *C* *C* *177.177* *.* *1* new residue 50 adding: *353* *50* *SER* *H* *H* *8.097* *.* *1* old residue 50 adding: *354* *50* *SER* *HA* *H* *3.979* *.* *1* old residue 50 adding: *355* *50* *SER* *HB3* *H* *3.875* *.* *2* old residue 50 adding: *7355* *50* *SER* *HB2* *H* *3.875* *.* *2* old residue 50 adding: *356* *50* *SER* *CA* *C* *61.749* *.* *1* old residue 50 adding: *357* *50* *SER* *CB* *C* *63.060* *.* *1* old residue 50 adding: *358* *50* *SER* *N* *N* *112.353* *.* *1* old residue 50 adding: *9050* *50* *SER* *C* *C* *176.776* *.* *1* new residue 51 adding: *359* *51* *SER* *H* *H* *7.901* *.* *1* old residue 51 adding: *360* *51* *SER* *HA* *H* *4.114* *.* *1* old residue 51 adding: *361* *51* *SER* *HB2* *H* *3.595* *.* *2* old residue 51 adding: *362* *51* *SER* *HB3* *H* *3.804* *.* *2* old residue 51 adding: *363* *51* *SER* *CA* *C* *62.475* *.* *1* old residue 51 adding: *364* *51* *SER* *CB* *C* *63.012* *.* *1* old residue 51 adding: *365* *51* *SER* *N* *N* *115.934* *.* *1* old residue 51 adding: *9051* *51* *SER* *C* *C* *176.255* *.* *1* new residue 52 adding: *366* *52* *ILE* *H* *H* *7.987* *.* *1* old residue 52 adding: *367* *52* *ILE* *HA* *H* *3.652* *.* *1* old residue 52 adding: *368* *52* *ILE* *HB* *H* *1.606* *.* *1* old residue 52 adding: *369* *52* *ILE* *HG12* *H* *0.737* *.* *2* old residue 52 adding: *370* *52* *ILE* *HG13* *H* *1.685* *.* *2* old residue 52 adding: *371* *52* *ILE* *HG2* *H* *0.647* *.* *2* old residue 52 adding: *372* *52* *ILE* *HD1* *H* *0.513* *.* *2* old residue 52 adding: *373* *52* *ILE* *CA* *C* *64.840* *.* *1* old residue 52 adding: *374* *52* *ILE* *CB* *C* *37.902* *.* *1* old residue 52 adding: *375* *52* *ILE* *CG1* *C* *29.069* *.* *2* old residue 52 adding: *376* *52* *ILE* *CG2* *C* *17.717* *.* *2* old residue 52 adding: *377* *52* *ILE* *CD1* *C* *14.061* *.* *2* old residue 52 adding: *378* *52* *ILE* *N* *N* *120.449* *.* *1* old residue 52 adding: *9052* *52* *ILE* *C* *C* *178.410* *.* *1* new residue 53 adding: *379* *53* *VAL* *H* *H* *8.303* *.* *1* old residue 53 adding: *380* *53* *VAL* *HA* *H* *3.654* *.* *1* old residue 53 adding: *381* *53* *VAL* *HB* *H* *2.054* *.* *1* old residue 53 adding: *1381* *53* *VAL* *HG1* *H* *0.902* *.* *2* old residue 53 adding: *1382* *53* *VAL* *HG2* *H* *0.8375* *.* *2* old residue 53 adding: *382* *53* *VAL* *CA* *C* *66.061* *.* *1* old residue 53 adding: *383* *53* *VAL* *CB* *C* *31.767* *.* *1* old residue 53 adding: *384* *53* *VAL* *CG1* *C* *21.96* *.* *2* old residue 53 adding: *1384* *53* *VAL* *CG2* *C* *21.73* *.* *2* old residue 53 adding: *385* *53* *VAL* *N* *N* *115.656* *.* *1* old residue 53 adding: *9053* *53* *VAL* *C* *C* *177.313* *.* *1* new residue 54 adding: *386* *54* *ASN* *H* *H* *7.984* *.* *1* old residue 54 adding: *387* *54* *ASN* *HA* *H* *4.760* *.* *1* old residue 54 adding: *388* *54* *ASN* *HB2* *H* *2.824* *.* *2* old residue 54 adding: *389* *54* *ASN* *HB3* *H* *2.824* *.* *2* old residue 54 adding: *390* *54* *ASN* *CA* *C* *54.273* *.* *1* old residue 54 adding: *391* *54* *ASN* *CB* *C* *39.212* *.* *1* old residue 54 adding: *392* *54* *ASN* *N* *N* *116.134* *.* *1* old residue 54 adding: *6203* *54* *ASN* *HD21* *H* *7.487* *.* *2* old residue 54 adding: *6204* *54* *ASN* *HD22* *H* *6.961* *.* *2* old residue 54 adding: *6208* *54* *ASN* *ND2* *N* *113.8* *.* *1* old residue 54 adding: *9054* *54* *ASN* *C* *C* *175.078* *.* *1* new residue 55 adding: *393* *55* *SER* *H* *H* *7.520* *.* *1* old residue 55 adding: *394* *55* *SER* *HA* *H* *4.507* *.* *1* old residue 55 adding: *395* *55* *SER* *HB2* *H* *3.919* *.* *2* old residue 55 adding: *396* *55* *SER* *HB3* *H* *3.919* *.* *2* old residue 55 adding: *397* *55* *SER* *CA* *C* *58.103* *.* *1* old residue 55 adding: *398* *55* *SER* *CB* *C* *63.90* *.* *1* old residue 55 adding: *399* *55* *SER* *N* *N* *114.00* *.* *1* old residue 55 adding: *9055* *55* *SER* *C* *C* *174.080* *.* *1* new residue 56 adding: *400* *56* *THR* *H* *H* *8.246* *.* *1* old residue 56 adding: *401* *56* *THR* *HA* *H* *4.091* *.* *1* old residue 56 adding: *402* *56* *THR* *HB* *H* *4.076* *.* *1* old residue 56 adding: *6402* *56* *THR* *HG2* *H* *1.018* *.* *1* old residue 56 adding: *403* *56* *THR* *CA* *C* *62.240* *.* *1* old residue 56 adding: *404* *56* *THR* *CB* *C* *68.925* *.* *1* old residue 56 adding: *405* *56* *THR* *CG2* *C* *21.633* *.* *2* old residue 56 adding: *406* *56* *THR* *N* *N* *113.388* *.* *1* old residue 56 adding: *9056* *56* *THR* *C* *C* *174.230* *.* *1* new residue 57 adding: *407* *57* *TYR* *H* *H* *7.847* *.* *1* old residue 57 adding: *408* *57* *TYR* *HA* *H* *4.385* *.* *1* old residue 57 adding: *409* *57* *TYR* *HB2* *H* *2.769* *.* *2* old residue 57 adding: *410* *57* *TYR* *HB3* *H* *2.889* *.* *2* old residue 57 adding: *411* *57* *TYR* *CA* *C* *57.924* *.* *1* old residue 57 adding: *412* *57* *TYR* *CB* *C* *38.781* *.* *1* old residue 57 adding: *413* *57* *TYR* *N* *N* *120.408* *.* *1* old residue 57 adding: *7608* *57* *TYR* *HD1* *H* *6.963* *.* *3* old residue 57 adding: *7609* *57* *TYR* *HD2* *H* *6.963* *.* *3* old residue 57 adding: *7610* *57* *TYR* *HE1* *H* *6.677* *.* *3* old residue 57 adding: *7611* *57* *TYR* *HE2* *H* *6.677* *.* *3* old residue 57 adding: *7612* *57* *TYR* *CD1* *C* *133.0* *.* *3* old residue 57 adding: *7613* *57* *TYR* *CD2* *C* *133.0* *.* *3* old residue 57 adding: *7614* *57* *TYR* *CE1* *C* *118.1* *.* *3* old residue 57 adding: *7615* *57* *TYR* *CE2* *C* *118.1* *.* *3* old residue 57 adding: *9057* *57* *TYR* *C* *C* *175.132* *.* *1* new residue 58 adding: *414* *58* *TYR* *H* *H* *7.667* *.* *1* old residue 58 adding: *415* *58* *TYR* *HA* *H* *4.288* *.* *1* old residue 58 adding: *416* *58* *TYR* *HB2* *H* *2.672* *.* *2* old residue 58 adding: *417* *58* *TYR* *HB3* *H* *2.669* *.* *2* old residue 58 adding: *418* *58* *TYR* *CA* *C* *57.726* *.* *1* old residue 58 adding: *419* *58* *TYR* *CB* *C* *38.321* *.* *1* old residue 58 adding: *420* *58* *TYR* *N* *N* *122.335* *.* *1* old residue 58 adding: *7604* *58* *TYR* *HD1* *H* *6.805* *.* *3* old residue 58 adding: *7605* *58* *TYR* *HD2* *H* *6.805* *.* *3* old residue 58 adding: *7606* *58* *TYR* *HE1* *H* *6.694* *.* *3* old residue 58 adding: *7607* *58* *TYR* *HE2* *H* *6.694* *.* *3* old residue 58 adding: *7616* *58* *TYR* *CD1* *C* *132.7* *.* *3* old residue 58 adding: *7617* *58* *TYR* *CD2* *C* *132.7* *.* *3* old residue 58 adding: *7618* *58* *TYR* *CE1* *C* *118.2* *.* *3* old residue 58 adding: *7619* *58* *TYR* *CE2* *C* *118.2* *.* *3* old residue 58 adding: *9058* *58* *TYR* *C* *C* *175.093* *.* *1* new residue 59 adding: *421* *59* *ALA* *H* *H* *7.258* *.* *1* old residue 59 adding: *422* *59* *ALA* *HA* *H* *3.929* *.* *1* old residue 59 adding: *423* *59* *ALA* *HB* *H* *1.016* *.* *1* old residue 59 adding: *424* *59* *ALA* *CA* *C* *52.466* *.* *1* old residue 59 adding: *425* *59* *ALA* *CB* *C* *19.158* *.* *1* old residue 59 adding: *426* *59* *ALA* *N* *N* *124.239* *.* *1* old residue 59 adding: *9059* *59* *ALA* *C* *C* *176.797* *.* *1* new residue 60 adding: *427* *60* *ASN* *H* *H* *7.622* *.* *1* old residue 60 adding: *428* *60* *ASN* *HA* *H* *4.542* *.* *1* old residue 60 adding: *429* *60* *ASN* *HB2* *H* *2.555* *.* *2* old residue 60 adding: *430* *60* *ASN* *HB3* *H* *2.732* *.* *2* old residue 60 adding: *431* *60* *ASN* *HD21* *H* *7.423* *.* *2* old residue 60 adding: *432* *60* *ASN* *HD22* *H* *6.811* *.* *2* old residue 60 adding: *433* *60* *ASN* *CA* *C* *52.958* *.* *1* old residue 60 adding: *434* *60* *ASN* *CB* *C* *37.837* *.* *1* old residue 60 adding: *435* *60* *ASN* *N* *N* *116.033* *.* *1* old residue 60 adding: *436* *60* *ASN* *ND2* *N* *111.8* *.* *1* old residue 60 adding: *9060* *60* *ASN* *C* *C* *174.486* *.* *1* new residue 61 adding: *437* *61* *VAL* *H* *H* *7.900* *.* *1* old residue 61 adding: *438* *61* *VAL* *HA* *H* *4.135* *.* *1* old residue 61 adding: *439* *61* *VAL* *HB* *H* *1.936* *.* *1* old residue 61 adding: *440* *61* *VAL* *HG1* *H* *0.885* *.* *2* old residue 61 adding: *441* *61* *VAL* *HG2* *H* *0.885* *.* *2* old residue 61 adding: *442* *61* *VAL* *CA* *C* *61.668* *.* *1* old residue 61 adding: *443* *61* *VAL* *CB* *C* *32.702* *.* *1* old residue 61 adding: *444* *61* *VAL* *CG1* *C* *21.43* *.* *2* old residue 61 adding: *445* *61* *VAL* *CG2* *C* *21.43* *.* *2* old residue 61 adding: *446* *61* *VAL* *N* *N* *122.088* *.* *1* old residue 61 adding: *9061* *61* *VAL* *C* *C* *175.085* *.* *1* new residue 62 adding: *447* *62* *SER* *H* *H* *8.640* *.* *1* old residue 62 adding: *448* *62* *SER* *HA* *H* *4.388* *.* *1* old residue 62 adding: *449* *62* *SER* *HB2* *H* *4.057* *.* *2* old residue 62 adding: *450* *62* *SER* *HB3* *H* *4.377* *.* *2* old residue 62 adding: *451* *62* *SER* *CA* *C* *58.187* *.* *1* old residue 62 adding: *452* *62* *SER* *CB* *C* *64.87* *.* *1* old residue 62 adding: *453* *62* *SER* *N* *N* *124.689* *.* *1* old residue 62 adding: *9062* *62* *SER* *C* *C* *175.137* *.* *1* new residue 63 adding: *454* *63* *ALA* *H* *H* *9.045* *.* *1* old residue 63 adding: *455* *63* *ALA* *HA* *H* *4.167* *.* *1* old residue 63 adding: *456* *63* *ALA* *HB* *H* *1.513* *.* *1* old residue 63 adding: *457* *63* *ALA* *CA* *C* *55.96* *.* *1* old residue 63 adding: *458* *63* *ALA* *CB* *C* *17.695* *.* *1* old residue 63 adding: *459* *63* *ALA* *N* *N* *125.907* *.* *1* old residue 63 adding: *9063* *63* *ALA* *C* *C* *180.595* *.* *1* new residue 64 adding: *460* *64* *ALA* *H* *H* *8.447* *.* *1* old residue 64 adding: *461* *64* *ALA* *HA* *H* *4.074* *.* *1* old residue 64 adding: *462* *64* *ALA* *HB* *H* *1.404* *.* *1* old residue 64 adding: *463* *64* *ALA* *CA* *C* *55.466* *.* *1* old residue 64 adding: *464* *64* *ALA* *CB* *C* *17.949* *.* *1* old residue 64 adding: *465* *64* *ALA* *N* *N* *119.531* *.* *1* old residue 64 adding: *9064* *64* *ALA* *C* *C* *181.159* *.* *1* new residue 65 adding: *466* *65* *LYS* *H* *H* *7.920* *.* *1* old residue 65 adding: *467* *65* *LYS* *HA* *H* *4.151* *.* *1* old residue 65 adding: *468* *65* *LYS* *HB2* *H* *1.677* *.* *2* old residue 65 adding: *469* *65* *LYS* *HB3* *H* *2.081* *.* *2* old residue 65 adding: *1464* *65* *LYS* *HG2* *H* *1.500* *.* *2* old residue 65 adding: *1465* *65* *LYS* *HG3* *H* *1.445* *.* *2* old residue 65 adding: *1466* *65* *LYS* *HD2* *H* *1.12* *.* *2* old residue 65 adding: *1467* *65* *LYS* *HD3* *H* *1.425* *.* *2* old residue 65 adding: *1468* *65* *LYS* *HE2* *H* *2.935* *.* *2* old residue 65 adding: *1469* *65* *LYS* *HE3* *H* *2.935* *.* *2* old residue 65 adding: *470* *65* *LYS* *CA* *C* *57.729* *.* *1* old residue 65 adding: *471* *65* *LYS* *CB* *C* *30.726* *.* *1* old residue 65 adding: *472* *65* *LYS* *CG* *C* *24.655* *.* *1* old residue 65 adding: *473* *65* *LYS* *CD* *C* *27.38* *.* *1* old residue 65 adding: *474* *65* *LYS* *CE* *C* *42.119* *.* *1* old residue 65 adding: *475* *65* *LYS* *N* *N* *120.121* *.* *1* old residue 65 adding: *9065* *65* *LYS* *C* *C* *179.485* *.* *1* new residue 66 adding: *476* *66* *CYS* *H* *H* *8.177* *.* *1* old residue 66 adding: *477* *66* *CYS* *HA* *H* *3.901* *.* *1* old residue 66 adding: *478* *66* *CYS* *HB2* *H* *2.358* *.* *2* old residue 66 adding: *479* *66* *CYS* *HB3* *H* *3.377* *.* *2* old residue 66 adding: *480* *66* *CYS* *CA* *C* *64.775* *.* *1* old residue 66 adding: *481* *66* *CYS* *CB* *C* *26.493* *.* *1* old residue 66 adding: *482* *66* *CYS* *N* *N* *118.973* *.* *1* old residue 66 adding: *9066* *66* *CYS* *C* *C* *176.764* *.* *1* new residue 67 adding: *483* *67* *GLN* *H* *H* *8.062* *.* *1* old residue 67 adding: *484* *67* *GLN* *HA* *H* *4.034* *.* *1* old residue 67 adding: *485* *67* *GLN* *HB2* *H* *2.046* *.* *2* old residue 67 adding: *486* *67* *GLN* *HB3* *H* *2.181* *.* *2* old residue 67 adding: *487* *67* *GLN* *HG2* *H* *2.595* *.* *2* old residue 67 adding: *488* *67* *GLN* *HG3* *H* *2.595* *.* *2* old residue 67 adding: *489* *67* *GLN* *HE21* *H* *7.053* *.* *2* old residue 67 adding: *490* *67* *GLN* *HE22* *H* *7.486* *.* *2* old residue 67 adding: *491* *67* *GLN* *CA* *C* *58.643* *.* *1* old residue 67 adding: *492* *67* *GLN* *CB* *C* *27.602* *.* *1* old residue 67 adding: *493* *67* *GLN* *CG* *C* *33.601* *.* *1* old residue 67 adding: *494* *67* *GLN* *N* *N* *118.729* *.* *1* old residue 67 adding: *495* *67* *GLN* *NE2* *N* *111.6* *.* *1* old residue 67 adding: *9067* *67* *GLN* *C* *C* *178.688* *.* *1* new residue 68 adding: *496* *68* *GLU* *H* *H* *8.234* *.* *1* old residue 68 adding: *497* *68* *GLU* *HA* *H* *3.864* *.* *1* old residue 68 adding: *498* *68* *GLU* *HB2* *H* *2.118* *.* *2* old residue 68 adding: *499* *68* *GLU* *HB3* *H* *2.118* *.* *2* old residue 68 adding: *500* *68* *GLU* *HG3* *H* *2.112* *.* *1* old residue 68 adding: *501* *68* *GLU* *HG2* *H* *2.112* *.* *2* old residue 68 adding: *502* *68* *GLU* *CA* *C* *59.624* *.* *1* old residue 68 adding: *503* *68* *GLU* *CB* *C* *29.994* *.* *1* old residue 68 adding: *504* *68* *GLU* *CG* *C* *36.033* *.* *1* old residue 68 adding: *505* *68* *GLU* *N* *N* *121.128* *.* *1* old residue 68 adding: *9068* *68* *GLN* *C* *C* *180.069* *.* *1* new residue 69 adding: *506* *69* *PHE* *H* *H* *8.636* *.* *1* old residue 69 adding: *507* *69* *PHE* *HA* *H* *3.803* *.* *1* old residue 69 adding: *508* *69* *PHE* *HB2* *H* *2.785* *.* *2* old residue 69 adding: *7509* *69* *PHE* *HB3* *H* *3.284* *.* *2* old residue 69 adding: *7508* *69* *PHE* *HD1* *H* *6.795* *.* *3* old residue 69 adding: *509* *69* *PHE* *HD2* *H* *6.795* *.* *3* old residue 69 adding: *7507* *69* *PHE* *HE1* *H* *7.088* *.* *3* old residue 69 adding: *7506* *69* *PHE* *HE2* *H* *7.088* *.* *3* old residue 69 adding: *7500* *69* *PHE* *HZ* *H* *7.072* *.* *2* old residue 69 adding: *510* *69* *PHE* *CA* *C* *62.859* *.* *1* old residue 69 adding: *511* *69* *PHE* *CB* *C* *38.44* *.* *1* old residue 69 adding: *2510* *69* *PHE* *CD1* *C* *131.2* *.* *3* old residue 69 adding: *2511* *69* *PHE* *CD2* *C* *131.2* *.* *3* old residue 69 adding: *2512* *69* *PHE* *CE1* *C* *131.4* *.* *3* old residue 69 adding: *2513* *69* *PHE* *CE2* *C* *131.4* *.* *3* old residue 69 adding: *2514* *69* *PHE* *CZ* *C* *129.00* *.* *1* old residue 69 adding: *512* *69* *PHE* *N* *N* *120.807* *.* *1* old residue 69 adding: *9069* *69* *PHE* *C* *C* *176.169* *.* *1* new residue 70 adding: *513* *70* *GLY* *H* *H* *8.181* *.* *1* old residue 70 adding: *514* *70* *GLY* *HA2* *H* *1.798* *.* *2* old residue 70 adding: *515* *70* *GLY* *HA3* *H* *1.798* *.* *2* old residue 70 adding: *516* *70* *GLY* *CA* *C* *45.189* *.* *1* old residue 70 adding: *517* *70* *GLY* *N* *N* *108.539* *.* *1* old residue 70 adding: *9070* *70* *GLY* *C* *C* *175.436* *.* *1* new residue 71 adding: *518* *71* *ARG* *H* *H* *7.804* *.* *1* old residue 71 adding: *519* *71* *ARG* *HA* *H* *3.84* *.* *1* old residue 71 adding: *520* *71* *ARG* *HB2* *H* *1.807* *.* *2* old residue 71 adding: *521* *71* *ARG* *HB3* *H* *1.842* *.* *2* old residue 71 adding: *2520* *71* *ARG* *HG2* *H* *1.783* *.* *2* old residue 71 adding: *2521* *71* *ARG* *HG3* *H* *1.525* *.* *2* old residue 71 adding: *522* *71* *ARG* *HD2* *H* *3.267* *.* *2* old residue 71 adding: *523* *71* *ARG* *HD3* *H* *3.154* *.* *2* old residue 71 adding: *524* *71* *ARG* *CA* *C* *60.134* *.* *1* old residue 71 adding: *525* *71* *ARG* *CB* *C* *30.301* *.* *1* old residue 71 adding: *526* *71* *ARG* *CG* *C* *28.14* *.* *1* old residue 71 adding: *527* *71* *ARG* *CD* *C* *43.534* *.* *1* old residue 71 adding: *528* *71* *ARG* *N* *N* *120.908* *.* *1* old residue 71 adding: *9071* *71* *ARG* *C* *C* *178.768* *.* *1* new residue 72 adding: *529* *72* *TRP* *H* *H* *7.731* *.* *1* old residue 72 adding: *530* *72* *TRP* *HA* *H* *4.047* *.* *1* old residue 72 adding: *531* *72* *TRP* *HB2* *H* *3.193* *.* *2* old residue 72 adding: *532* *72* *TRP* *HB3* *H* *3.193* *.* *2* old residue 72 adding: *533* *72* *TRP* *CA* *C* *61.51* *.* *1* old residue 72 adding: *534* *72* *TRP* *CB* *C* *27.716* *.* *1* old residue 72 adding: *535* *72* *TRP* *N* *N* *121.281* *.* *1* old residue 72 adding: *9929* *72* *TRP* *NE1* *N* *132.19* *.* *1* old residue 72 adding: *9930* *72* *TRP* *HE1* *H* *10.26* *.* *1* old residue 72 adding: *9931* *72* *TRP* *CD1* *C* *127.48* *.* *1* old residue 72 adding: *9932* *72* *TRP* *HD1* *H* *7.281* *.* *1* old residue 72 adding: *9933* *72* *TRP* *CZ2* *C* *114.3* *.* *1* old residue 72 adding: *9934* *72* *TRP* *HZ2* *H* *6.345* *.* *1* old residue 72 adding: *9935* *72* *TRP* *CH2* *C* *123.1* *.* *1* old residue 72 adding: *9937* *72* *TRP* *HH2* *H* *6.247* *.* *1* old residue 72 adding: *9938* *72* *TRP* *CZ3* *C* *120.9* *.* *1* old residue 72 adding: *9939* *72* *TRP* *HZ3* *H* *6.551* *.* *1* old residue 72 adding: *9940* *72* *TRP* *CE3* *C* *119.5* *.* *1* old residue 72 adding: *9941* *72* *TRP* *HE3* *H* *6.56* *.* *1* old residue 72 adding: *9072* *72* *TRP* *C* *C* *177.263* *.* *1* new residue 73 adding: *536* *73* *TYR* *H* *H* *9.004* *.* *1* old residue 73 adding: *537* *73* *TYR* *HA* *H* *2.840* *.* *1* old residue 73 adding: *538* *73* *TYR* *HB2* *H* *2.524* *.* *2* old residue 73 adding: *539* *73* *TYR* *HB3* *H* *2.347* *.* *2* old residue 73 adding: *540* *73* *TYR* *CA* *C* *61.352* *.* *1* old residue 73 adding: *541* *73* *TYR* *CB* *C* *38.782* *.* *1* old residue 73 adding: *542* *73* *TYR* *N* *N* *121.394* *.* *1* old residue 73 adding: *7600* *73* *TYR* *HD1* *H* *7.045* *.* *3* old residue 73 adding: *7601* *73* *TYR* *HD2* *H* *7.045* *.* *3* old residue 73 adding: *7602* *73* *TYR* *HE1* *H* *6.970* *.* *3* old residue 73 adding: *7603* *73* *TYR* *HE2* *H* *6.970* *.* *3* old residue 73 adding: *7620* *73* *TYR* *CD1* *C* *132.8* *.* *3* old residue 73 adding: *7621* *73* *TYR* *CD2* *C* *132.8* *.* *3* old residue 73 adding: *7622* *73* *TYR* *CE1* *C* *119.4* *.* *3* old residue 73 adding: *7623* *73* *TYR* *CE2* *C* *119.4* *.* *3* old residue 73 adding: *9073* *73* *TYR* *C* *C* *176.632* *.* *1* new residue 74 adding: *543* *74* *LYS* *H* *H* *7.718* *.* *1* old residue 74 adding: *544* *74* *LYS* *HA* *H* *3.733* *.* *1* old residue 74 adding: *545* *74* *LYS* *HB2* *H* *1.739* *.* *2* old residue 74 adding: *546* *74* *LYS* *HB3* *H* *1.849* *.* *2* old residue 74 adding: *1544* *74* *LYS* *HG2* *H* *1.33* *.* *2* old residue 74 adding: *1543* *74* *LYS* *HG3* *H* *1.487* *.* *2* old residue 74 adding: *1545* *74* *LYS* *HD2* *H* *1.672* *.* *2* old residue 74 adding: *1546* *74* *LYS* *HD3* *H* *1.672* *.* *2* old residue 74 adding: *1542* *74* *LYS* *HE2* *H* *2.973* *.* *2* old residue 74 adding: *1541* *74* *LYS* *HE3* *H* *2.973* *.* *2* old residue 74 adding: *547* *74* *LYS* *CA* *C* *59.12* *.* *1* old residue 74 adding: *548* *74* *LYS* *CB* *C* *32.132* *.* *1* old residue 74 adding: *1546* *74* *LYS* *CG* *C* *24.98* *.* *1* old residue 74 adding: *1548* *74* *LYS* *CD* *C* *29.87* *.* *1* old residue 74 adding: *1547* *74* *LYS* *CE* *C* *42.39* *.* *1* old residue 74 adding: *549* *74* *LYS* *N* *N* *116.614* *.* *1* old residue 74 adding: *9074* *74* *LYS* *C* *C* *178.250* *.* *1* new residue 75 adding: *550* *75* *HIS* *H* *H* *6.996* *.* *1* old residue 75 adding: *551* *75* *HIS* *HA* *H* *4.226* *.* *1* old residue 75 adding: *552* *75* *HIS* *HB2* *H* *3.003* *.* *2* old residue 75 adding: *553* *75* *HIS* *HB3* *H* *3.082* *.* *2* old residue 75 adding: *554* *75* *HIS* *CA* *C* *58.420* *.* *1* old residue 75 adding: *555* *75* *HIS* *CB* *C* *29.731* *.* *1* old residue 75 adding: *556* *75* *HIS* *N* *N* *116.154* *.* *1* old residue 75 adding: *9075* *75* *HIS* *C* *C* *176.316* *.* *1* new residue 76 adding: *557* *76* *PHE* *H* *H* *8.145* *.* *1* old residue 76 adding: *558* *76* *PHE* *HA* *H* *3.735* *.* *1* old residue 76 adding: *559* *76* *PHE* *HB2* *H* *1.812* *.* *2* old residue 76 adding: *560* *76* *PHE* *HB3* *H* *1.673* *.* *2* old residue 76 adding: *561* *76* *PHE* *CA* *C* *60.07* *.* *1* old residue 76 adding: *562* *76* *PHE* *CB* *C* *38.97* *.* *1* old residue 76 adding: *563* *76* *PHE* *N* *N* *123.096* *.* *1* old residue 76 adding: *7503* *76* *PHE* *HD1* *H* *6.75* *.* *3* old residue 76 adding: *7500* *76* *PHE* *HD2* *H* *6.75* *.* *3* old residue 76 adding: *7502* *76* *PHE* *HE1* *H* *7.25* *.* *3* old residue 76 adding: *7501* *76* *PHE* *HE2* *H* *7.25* *.* *3* old residue 76 adding: *2515* *76* *PHE* *CD1* *C* *131.8* *.* *3* old residue 76 adding: *2516* *76* *PHE* *CD2* *C* *131.8* *.* *3* old residue 76 adding: *2517* *76* *PHE* *CE1* *C* *131.3* *.* *3* old residue 76 adding: *2518* *76* *PHE* *CE2* *C* *131.3* *.* *3* old residue 76 adding: *9076* *76* *PHE* *C* *C* *177.011* *.* *1* new residue 77 adding: *564* *77* *LYS* *H* *H* *7.894* *.* *1* old residue 77 adding: *565* *77* *LYS* *HA* *H* *3.609* *.* *1* old residue 77 adding: *566* *77* *LYS* *HB2* *H* *1.276* *.* *2* old residue 77 adding: *567* *77* *LYS* *HB3* *H* *1.423* *.* *2* old residue 77 adding: *3562* *77* *LYS* *HG2* *H* *0.91* *.* *2* old residue 77 adding: *3563* *77* *LYS* *HG3* *H* *0.91* *.* *2* old residue 77 adding: *3564* *77* *LYS* *HE2* *H* *2.76* *.* *2* old residue 77 adding: *3565* *77* *LYS* *HE3* *H* *2.874* *.* *2* old residue 77 adding: *3566* *77* *LYS* *HD2* *H* *1.396* *.* *2* old residue 77 adding: *3567* *77* *LYS* *HD3* *H* *1.396* *.* *2* old residue 77 adding: *568* *77* *LYS* *CA* *C* *56.14* *.* *1* old residue 77 adding: *569* *77* *LYS* *CB* *C* *31.323* *.* *1* old residue 77 adding: *570* *77* *LYS* *CG* *C* *23.83* *.* *1* old residue 77 adding: *571* *77* *LYS* *CD* *C* *28.08* *.* *1* old residue 77 adding: *572* *77* *LYS* *CE* *C* *41.73* *.* *1* old residue 77 adding: *573* *77* *LYS* *N* *N* *118.8* *.* *1* old residue 77 adding: *9077* *77* *LYS* *C* *C* *176.883* *.* *1* new residue 78 adding: *574* *78* *LYS* *H* *H* *7.362* *.* *1* old residue 78 adding: *575* *78* *LYS* *HA* *H* *3.991* *.* *1* old residue 78 adding: *576* *78* *LYS* *HB2* *H* *1.699* *.* *2* old residue 78 adding: *577* *78* *LYS* *HB3* *H* *1.699* *.* *2* old residue 78 adding: *578* *78* *LYS* *HG2* *H* *1.320* *.* *2* old residue 78 adding: *579* *78* *LYS* *HG3* *H* *1.267* *.* *2* old residue 78 adding: *580* *78* *LYS* *HD2* *H* *1.558* *.* *2* old residue 78 adding: *581* *78* *LYS* *HD3* *H* *1.559* *.* *2* old residue 78 adding: *2580* *78* *LYS* *HE2* *H* *2.872* *.* *2* old residue 78 adding: *2581* *78* *LYS* *HE3* *H* *2.872* *.* *2* old residue 78 adding: *582* *78* *LYS* *CA* *C* *57.769* *.* *1* old residue 78 adding: *583* *78* *LYS* *CB* *C* *32.172* *.* *1* old residue 78 adding: *584* *78* *LYS* *CG* *C* *24.705* *.* *1* old residue 78 adding: *585* *78* *LYS* *CD* *C* *29.108* *.* *1* old residue 78 adding: *586* *78* *LYS* *CE* *C* *42.045* *.* *1* old residue 78 adding: *587* *78* *LYS* *N* *N* *119.919* *.* *1* old residue 78 adding: *9078* *78* *LYS* *C* *C* *177.630* *.* *1* new residue 79 adding: *588* *79* *THR* *H* *H* *7.678* *.* *1* old residue 79 adding: *589* *79* *THR* *HA* *H* *4.049* *.* *1* old residue 79 adding: *590* *79* *THR* *HB* *H* *4.049* *.* *1* old residue 79 adding: *591* *79* *THR* *HG2* *H* *1.014* *.* *2* old residue 79 adding: *592* *79* *THR* *CA* *C* *63.019* *.* *1* old residue 79 adding: *593* *79* *THR* *CB* *C* *69.576* *.* *1* old residue 79 adding: *594* *79* *THR* *CG2* *C* *21.581* *.* *2* old residue 79 adding: *595* *79* *THR* *N* *N* *113.086* *.* *1* old residue 79 adding: *9079* *79* *THR* *C* *C* *175.375* *.* *1* new residue 80 adding: *596* *80* *LYS* *H* *H* *7.880* *.* *1* old residue 80 adding: *597* *80* *LYS* *HA* *H* *4.062* *.* *1* old residue 80 adding: *598* *80* *LYS* *HB2* *H* *1.618* *.* *2* old residue 80 adding: *599* *80* *LYS* *HB3* *H* *1.501* *.* *2* old residue 80 adding: *600* *80* *LYS* *HG2* *H* *1.175* *.* *2* old residue 80 adding: *601* *80* *LYS* *HG3* *H* *1.175* *.* *2* old residue 80 adding: *602* *80* *LYS* *HD2* *H* *1.459* *.* *2* old residue 80 adding: *7602* *80* *LYS* *HD3* *H* *1.459* *.* *2* old residue 80 adding: *603* *80* *LYS* *HE2* *H* *2.810* *.* *2* old residue 80 adding: *604* *80* *LYS* *HE3* *H* *2.805* *.* *2* old residue 80 adding: *605* *80* *LYS* *CA* *C* *56.885* *.* *1* old residue 80 adding: *606* *80* *LYS* *CB* *C* *32.419* *.* *1* old residue 80 adding: *607* *80* *LYS* *CG* *C* *24.137* *.* *1* old residue 80 adding: *608* *80* *LYS* *CD* *C* *28.722* *.* *1* old residue 80 adding: *609* *80* *LYS* *CE* *C* *42.023* *.* *1* old residue 80 adding: *610* *80* *LYS* *N* *N* *122.246* *.* *1* old residue 80 adding: *9080* *80* *LYS* *C* *C* *176.698* *.* *1* new residue 81 adding: *611* *81* *ASP* *H* *H* *8.019* *.* *1* old residue 81 adding: *612* *81* *ASP* *HA* *H* *4.483* *.* *1* old residue 81 adding: *613* *81* *ASP* *HB2* *H* *2.535* *.* *2* old residue 81 adding: *614* *81* *ASP* *HB3* *H* *2.645* *.* *2* old residue 81 adding: *615* *81* *ASP* *CA* *C* *54.916* *.* *1* old residue 81 adding: *616* *81* *ASP* *CB* *C* *40.860* *.* *1* old residue 81 adding: *617* *81* *ASP* *N* *N* *119.761* *.* *1* old residue 81 adding: *9081* *81* *ASP* *C* *C* *176.049* *.* *1* new residue 82 adding: *618* *82* *MET* *H* *H* *7.893* *.* *1* old residue 82 adding: *619* *82* *MET* *CA* *C* *55.750* *.* *1* old residue 82 adding: *620* *82* *MET* *CB* *C* *32.865* *.* *1* old residue 82 adding: *8620* *82* *MET* *CG* *C* *31.98* *.* *1* old residue 82 adding: *5620* *82* *MET* *CE* *C* *16.69* *.* *1* old residue 82 adding: *5621* *82* *MET* *HE* *H* *2.015* *.* *1* old residue 82 adding: *5619* *82* *MET* *HA* *H* *4.380* *.* *1* old residue 82 adding: *5618* *82* *MET* *HB2* *H* *2.075* *.* *2* old residue 82 adding: *5617* *82* *MET* *HB3* *H* *1.919* *.* *2* old residue 82 adding: *5616* *82* *MET* *HG2* *H* *2.53* *.* *2* old residue 82 adding: *5615* *82* *MET* *HG3* *H* *2.456* *.* *2* old residue 82 adding: *6216* *82* *MET* *N* *N* *119.386* *.* *1* new residue 83 adding: *4618* *83* *MET* *H* *H* *7.788* *.* *1* old residue 83 adding: *4619* *83* *MET* *CA* *C* *57.46* *.* *1* old residue 83 adding: *4620* *83* *MET* *CB* *C* *33.5* *.* *1* old residue 83 adding: *4626* *83* *MET* *CG* *C* *32.24* *.* *1* old residue 83 adding: *4621* *83* *MET* *CE* *C* *16.8* *.* *1* old residue 83 adding: *4622* *83* *MET* *HE* *H* *2.01* *.* *1* old residue 83 adding: *4623* *83* *MET* *HA* *H* *4.19* *.* *1* old residue 83 adding: *4624* *83* *MET* *HB2* *H* *2.028* *.* *2* old residue 83 adding: *4625* *83* *MET* *HB3* *H* *1.892* *.* *2* old residue 83 adding: *5614* *83* *MET* *HG2* *H* *2.501* *.* *2* old residue 83 adding: *5613* *83* *MET* *HG3* *H* *2.432* *.* *2* old residue 83 adding: *4626* *83* *MET* *N* *N* *126.00* *.* *1* seqcode size is : 73 seqcode: 33 shift counts are : 13 seqcode: 32 shift counts are : 8 seqcode: 63 shift counts are : 7 seqcode: 21 shift counts are : 9 seqcode: 71 shift counts are : 14 seqcode: 80 shift counts are : 17 seqcode: 26 shift counts are : 14 seqcode: 18 shift counts are : 7 seqcode: 72 shift counts are : 20 seqcode: 16 shift counts are : 14 seqcode: 44 shift counts are : 14 seqcode: 55 shift counts are : 8 seqcode: 74 shift counts are : 17 seqcode: 27 shift counts are : 15 seqcode: 57 shift counts are : 16 seqcode: 61 shift counts are : 11 seqcode: 20 shift counts are : 9 seqcode: 31 shift counts are : 17 seqcode: 35 shift counts are : 14 seqcode: 11 shift counts are : 6 seqcode: 78 shift counts are : 17 seqcode: 48 shift counts are : 13 seqcode: 77 shift counts are : 17 seqcode: 65 shift counts are : 17 seqcode: 29 shift counts are : 14 seqcode: 50 shift counts are : 8 seqcode: 39 shift counts are : 7 seqcode: 64 shift counts are : 7 seqcode: 58 shift counts are : 16 seqcode: 12 shift counts are : 12 seqcode: 41 shift counts are : 11 seqcode: 15 shift counts are : 11 seqcode: 81 shift counts are : 8 seqcode: 52 shift counts are : 14 seqcode: 60 shift counts are : 11 seqcode: 56 shift counts are : 9 seqcode: 73 shift counts are : 16 seqcode: 66 shift counts are : 8 seqcode: 45 shift counts are : 8 seqcode: 76 shift counts are : 16 seqcode: 19 shift counts are : 10 seqcode: 62 shift counts are : 8 seqcode: 54 shift counts are : 11 seqcode: 67 shift counts are : 14 seqcode: 70 shift counts are : 6 seqcode: 68 shift counts are : 11 seqcode: 17 shift counts are : 20 seqcode: 30 shift counts are : 14 seqcode: 82 shift counts are : 12 seqcode: 25 shift counts are : 7 seqcode: 28 shift counts are : 8 seqcode: 83 shift counts are : 12 seqcode: 75 shift counts are : 8 seqcode: 40 shift counts are : 15 seqcode: 14 shift counts are : 12 seqcode: 59 shift counts are : 7 seqcode: 69 shift counts are : 18 seqcode: 49 shift counts are : 14 seqcode: 24 shift counts are : 11 seqcode: 53 shift counts are : 11 seqcode: 79 shift counts are : 9 seqcode: 42 shift counts are : 7 seqcode: 22 shift counts are : 11 seqcode: 46 shift counts are : 14 seqcode: 23 shift counts are : 14 seqcode: 13 shift counts are : 11 seqcode: 36 shift counts are : 8 seqcode: 51 shift counts are : 8 seqcode: 47 shift counts are : 8 seqcode: 38 shift counts are : 14 seqcode: 34 shift counts are : 11 seqcode: 37 shift counts are : 8 seqcode: 43 shift counts are : 12 setting ambig code at 124 for HD2 to 2 setting ambig code at 123 for HD1 to 2 setting ambig code at 299 for HD2 to 2 setting ambig code at 7299 for HD1 to 2 setting ambig code at 445 for HG2 to 2 setting ambig code at 444 for HG1 to 2 setting ambig code at 7151 for HD1 to 2 setting ambig code at 151 for HD2 to 2 setting ambig code at 8894 for HD1 to 2 setting ambig code at 7162 for HD1 to 2 setting ambig code at 162 for HD2 to 2 setting ambig code at 1384 for HG2 to 2 setting ambig code at 384 for HG1 to 2 setting ambig code at 91 for HG2 to 2 setting ambig code at 90 for HG1 to 2 setting ambig code at 4241 for HD2 to 2 setting ambig code at 4240 for HD1 to 2 1 11 MET HA H 4.611 . 1 2 11 MET HB2 H 3.072 . 1 3 11 MET HB3 H 3.072 . 1 4 11 MET CA C 56.308 . 1 5 11 MET CB C 30.305 . 1 9000 11 MET C C 174.809 . 1 6 12 LEU H H 7.993 . 1 7 12 LEU CA C 61.053 . 1 8 12 LEU N N 122.279 . 1 8886 12 LEU HA H 4.13 . 1 8887 12 LEU HB2 H 1.788 . 2 8888 12 LEU HB3 H 1.788 . 2 8889 12 LEU HG H 1.12 . 1 8890 12 LEU HD1 H 0.97 . 2 8891 12 LEU HD2 H 0.737 . 2 8892 12 LEU CB C 38.62 . 1 8893 12 LEU CG C 27.31 . 1 8894 12 LEU CD1 C 17.65 . 2 9 13 PRO HB2 H 2.383 . 2 10 13 PRO HB3 H 1.914 . 2 11 13 PRO HD2 H 3.538 . 2 12 13 PRO HD3 H 3.891 . 2 13 13 PRO CA C 61.568 . 1 14 13 PRO CB C 31.219 . 1 15 13 PRO CG C 27.78 . 1 16 13 PRO CD C 50.672 . 1 8899 13 PRO HA H 4.687 . 2 8989 13 PRO HG2 H 2.022 . 2 8990 13 PRO HG3 H 2.022 . 2 17 14 PRO HA H 4.129 . 1 18 14 PRO HB2 H 1.799 . 2 19 14 PRO HB3 H 2.218 . 2 20 14 PRO HG2 H 1.686 . 2 21 14 PRO HG3 H 1.964 . 2 22 14 PRO HD2 H 3.634 . 2 23 14 PRO HD3 H 3.829 . 2 24 14 PRO CA C 64.68 . 1 25 14 PRO CB C 32.257 . 1 26 14 PRO CG C 27.601 . 1 27 14 PRO CD C 50.652 . 1 9002 14 PRO C C 177.029 . 1 28 15 GLU H H 8.997 . 1 29 15 GLU HA H 4.075 . 1 30 15 GLU HB2 H 1.978 . 2 31 15 GLU HB3 H 1.977 . 2 32 15 GLU HG2 H 2.235 . 2 33 15 GLU CA C 58.265 . 1 34 15 GLU CB C 29.104 . 1 35 15 GLU CG C 36.472 . 1 36 15 GLU N N 116.877 . 1 1132 15 GLU HG3 H 2.235 . 2 9003 15 GLU C C 176.86 . 1 37 16 GLN H H 8.364 . 1 38 16 GLN HA H 4.417 . 1 39 16 GLN HB2 H 1.872 . 2 40 16 GLN HB3 H 2.234 . 2 41 16 GLN HG2 H 2.269 . 2 42 16 GLN HG3 H 2.269 . 2 43 16 GLN CA C 55.521 . 1 44 16 GLN CB C 29.90 . 1 45 16 GLN CG C 34.052 . 1 46 16 GLN N N 119.163 . 1 8215 16 GLN HE21 H 6.81 . 2 8216 16 GLN HE22 H 7.55 . 2 8221 16 GLN NE2 N 112.4 . 1 9004 16 GLN C C 176.023 . 1 47 17 TRP H H 8.457 . 1 48 17 TRP HA H 4.216 . 1 49 17 TRP HB2 H 2.919 . 2 50 17 TRP HB3 H 3.059 . 2 51 17 TRP CA C 59.496 . 1 53 17 TRP N N 123.943 . 1 9005 17 TRP C C 174.779 . 1 9942 17 TRP HE3 H 7.46 . 1 9943 17 TRP CE3 C 120.0 . 1 9944 17 TRP HZ3 H 6.847 . 1 9945 17 TRP CZ3 C 121.06 . 1 9946 17 TRP HH2 H 6.598 . 1 9947 17 TRP CH2 C 123.7 . 1 9948 17 TRP HZ2 H 7.464 . 1 9949 17 TRP CZ2 C 114.6 . 1 9950 17 TRP CD1 C 127.37 . 1 9951 17 TRP HD1 H 7.498 . 1 9952 17 TRP CB C 29.005 . 1 9953 17 TRP NE1 N 129.7 . 1 9954 17 TRP HE1 H 10.08 . 1 54 18 SER H H 8.359 . 1 55 18 SER HA H 4.513 . 1 56 18 SER HB2 H 4.272 . 2 57 18 SER HB3 H 3.852 . 2 58 18 SER CA C 55.99 . 1 59 18 SER CB C 66.818 . 1 60 18 SER N N 117.131 . 1 61 19 HIS H H 8.835 . 1 62 19 HIS HA H 3.948 . 1 63 19 HIS HB2 H 2.929 . 2 64 19 HIS HB3 H 2.812 . 2 65 19 HIS CA C 61.370 . 1 66 19 HIS CB C 30.306 . 1 67 19 HIS N N 120.098 . 1 7766 19 HIS CD2 C 118.2 . 1 7767 19 HIS HD2 H 6.701 . 1 9007 19 HIS C C 177.241 . 1 68 20 THR H H 7.715 . 1 69 20 THR HB H 3.890 . 1 70 20 THR HA H 3.750 . 1 71 20 THR HG2 H 1.075 . 2 72 20 THR CA C 66.06 . 1 73 20 THR CB C 68.50 . 1 74 20 THR CG2 C 21.866 . 2 75 20 THR N N 114.052 . 1 9020 20 THR C C 175.401 . 1 76 21 THR H H 7.366 . 1 77 21 THR HA H 3.672 . 1 78 21 THR HG2 H 0.205 . 2 79 21 THR CA C 65.14 . 1 80 21 THR CB C 68.660 . 1 81 21 THR CG2 C 22.584 . 2 82 21 THR N N 117.272 . 1 3377 21 THR HB H 3.748 . 1 9021 21 THR C C 178.441 . 1 83 22 VAL H H 8.245 . 1 84 22 VAL HA H 3.499 . 1 85 22 VAL HB H 2.055 . 1 86 22 VAL HG1 H 1.195 . 2 87 22 VAL HG2 H 0.126 . 2 88 22 VAL CA C 66.994 . 1 89 22 VAL CB C 31.34 . 1 90 22 VAL CG1 C 23.98 . 2 91 22 VAL CG2 C 20.885 . 2 92 22 VAL N N 121.128 . 1 9022 22 VAL C C 176.627 . 1 93 23 ARG H H 8.357 . 1 94 23 ARG HA H 3.453 . 1 95 23 ARG HB2 H 1.938 . 2 96 23 ARG HB3 H 1.621 . 2 97 23 ARG CA C 61.016 . 1 98 23 ARG CB C 29.460 . 1 99 23 ARG CG C 28.45 . 1 100 23 ARG CD C 43.404 . 1 101 23 ARG N N 120.207 . 1 7793 23 ARG HD3 H 3.267 . 2 7794 23 ARG HD2 H 3.267 . 2 7795 23 ARG HG2 H 1.479 . 2 7796 23 ARG HG3 H 1.334 . 2 9023 23 ARG C C 177.705 . 1 102 24 ASN H H 8.084 . 1 103 24 ASN HA H 4.322 . 1 104 24 ASN HB2 H 2.790 . 2 105 24 ASN HB3 H 2.687 . 2 106 24 ASN CA C 55.773 . 1 107 24 ASN CB C 37.474 . 1 108 24 ASN N N 116.048 . 1 5203 24 ASN HD21 H 6.913 . 2 5204 24 ASN HD22 H 7.578 . 2 5208 24 ASN ND2 N 112.3 . 1 9024 24 ASN C C 177.832 . 1 109 25 ALA H H 7.842 . 1 110 25 ALA HA H 4.242 . 1 111 25 ALA HB H 1.416 . 1 112 25 ALA CA C 55.312 . 1 113 25 ALA CB C 18.500 . 1 114 25 ALA N N 123.506 . 1 9025 25 ALA C C 178.995 . 1 115 26 LEU H H 8.691 . 1 116 26 LEU HA H 4.044 . 1 117 26 LEU HB2 H 1.059 . 2 118 26 LEU HG H 1.336 . 1 119 26 LEU HD1 H 0.791 . 2 120 26 LEU CA C 58.307 . 1 121 26 LEU CB C 42.28 . 1 122 26 LEU CG C 27.13 . 1 123 26 LEU CD1 C 24.667 . 2 124 26 LEU CD2 C 26.93 . 2 125 26 LEU N N 117.957 . 1 1118 26 LEU HB3 H 1.926 . 2 1119 26 LEU HD2 H 0.551 . 2 9026 26 LEU C C 178.488 . 1 126 27 LYS H H 8.164 . 1 127 27 LYS HA H 3.869 . 1 128 27 LYS HB2 H 1.861 . 2 129 27 LYS HB3 H 1.861 . 2 130 27 LYS CA C 60.275 . 1 131 27 LYS CB C 31.716 . 1 132 27 LYS CG C 25.76 . 1 133 27 LYS CD C 29.398 . 1 134 27 LYS CE C 41.848 . 1 135 27 LYS N N 116.679 . 1 2126 27 LYS HD3 H 1.677 . 2 2127 27 LYS HD2 H 1.677 . 2 2128 27 LYS HG2 H 1.436 . 2 2129 27 LYS HG3 H 1.718 . 2 9027 27 LYS C C 179.177 . 1 136 28 ASP H H 7.421 . 1 137 28 ASP HA H 4.483 . 1 138 28 ASP HB2 H 2.895 . 2 139 28 ASP HB3 H 2.954 . 2 140 28 ASP CA C 57.708 . 1 141 28 ASP CB C 41.33 . 1 142 28 ASP N N 118.199 . 1 9028 28 ASP C C 179.194 . 1 143 29 LEU H H 8.542 . 1 144 29 LEU HA H 4.285 . 1 145 29 LEU HB2 H 1.657 . 2 146 29 LEU HB3 H 2.178 . 2 147 29 LEU HD2 H 1.171 . 2 148 29 LEU CA C 58.11 . 1 149 29 LEU CB C 43.179 . 1 150 29 LEU CG C 27.33 . 1 151 29 LEU CD2 C 24.065 . 2 152 29 LEU N N 121.732 . 1 1147 29 LEU HG H 2.317 . 1 7147 29 LEU HD1 H 1.171 . 2 7151 29 LEU CD1 C 24.065 . 2 9029 29 LEU C C 179.716 . 1 153 30 LEU H H 8.375 . 1 154 30 LEU HA H 4.751 . 1 155 30 LEU HB2 H 1.797 . 2 156 30 LEU HB3 H 1.658 . 2 157 30 LEU HG H 1.799 . 1 158 30 LEU HD2 H 0.774 . 2 159 30 LEU CA C 56.132 . 1 160 30 LEU CB C 41.053 . 1 161 30 LEU CG C 27.24 . 1 162 30 LEU CD2 C 26.18 . 2 163 30 LEU N N 116.988 . 1 7158 30 LEU HD1 H 0.812 . 2 7162 30 LEU CD1 C 23.113 . 2 9030 30 LEU C C 177.905 . 1 165 31 LYS H H 7.356 . 1 166 31 LYS HA H 4.160 . 1 167 31 LYS HB2 H 1.887 . 2 168 31 LYS HB3 H 1.887 . 2 169 31 LYS HG2 H 1.497 . 2 170 31 LYS HG3 H 1.745 . 2 171 31 LYS HD2 H 1.758 . 2 172 31 LYS HD3 H 1.758 . 2 173 31 LYS HE2 H 3.025 . 2 174 31 LYS HE3 H 3.025 . 2 175 31 LYS CA C 58.914 . 1 176 31 LYS CB C 32.407 . 1 177 31 LYS CG C 24.89 . 1 178 31 LYS CD C 29.28 . 1 180 31 LYS CE C 42.211 . 1 181 31 LYS N N 118.384 . 1 9031 31 LYS C C 177.685 . 1 182 32 ASP H H 7.531 . 1 183 32 ASP HA H 4.898 . 1 184 32 ASP HB2 H 2.823 . 2 185 32 ASP HB3 H 2.673 . 2 186 32 ASP CA C 54.685 . 1 187 32 ASP CB C 43.536 . 1 188 32 ASP N N 115.412 . 1 9032 32 ASP C C 175.336 . 1 189 33 MET H H 7.912 . 1 190 33 MET HA H 4.668 . 1 191 33 MET HB2 H 1.961 . 2 192 33 MET HB3 H 2.108 . 2 193 33 MET HG2 H 2.511 . 2 194 33 MET HG3 H 2.609 . 2 195 33 MET CA C 54.747 . 1 196 33 MET CB C 36.099 . 1 197 33 MET CG C 30.747 . 1 198 33 MET N N 118.971 . 1 8197 33 MET CE C 16.71 . 1 8198 33 MET HE H 2.116 . 1 9033 33 MET C C 173.380 . 1 199 34 ASN H H 8.208 . 1 200 34 ASN HA H 4.837 . 1 201 34 ASN HB2 H 3.132 . 2 202 34 ASN HB3 H 2.862 . 2 203 34 ASN HD21 H 7.681 . 2 204 34 ASN HD22 H 6.977 . 2 205 34 ASN CA C 52.054 . 1 206 34 ASN CB C 39.349 . 1 207 34 ASN N N 116.256 . 1 208 34 ASN ND2 N 113.60 . 1 9034 34 ASN C C 176.268 . 1 209 35 GLN H H 8.858 . 1 210 35 GLN HA H 3.796 . 1 211 35 GLN HB2 H 2.054 . 2 212 35 GLN HB3 H 2.054 . 2 213 35 GLN HG2 H 2.409 . 2 214 35 GLN HG3 H 2.409 . 2 215 35 GLN HE21 H 6.74 . 2 216 35 GLN HE22 H 7.228 . 2 217 35 GLN CA C 60.248 . 1 218 35 GLN CB C 28.854 . 1 219 35 GLN CG C 34.589 . 1 220 35 GLN N N 119.983 . 1 221 35 GLN NE2 N 109.70 . 1 9035 35 GLN C C 177.669 . 1 222 36 SER H H 8.413 . 1 223 36 SER HA H 4.060 . 1 224 36 SER HB2 H 3.858 . 2 225 36 SER HB3 H 3.858 . 2 226 36 SER CA C 61.114 . 1 227 36 SER CB C 62.462 . 1 228 36 SER N N 114.335 . 1 9036 36 SER C C 177.339 . 1 229 37 SER H H 8.133 . 1 230 37 SER HA H 4.248 . 1 231 37 SER HB2 H 3.955 . 2 232 37 SER HB3 H 3.955 . 2 233 37 SER CA C 61.538 . 1 234 37 SER CB C 62.971 . 1 235 37 SER N N 118.759 . 1 9037 37 SER C C 176.490 . 1 236 38 LEU H H 8.106 . 1 237 38 LEU HA H 4.074 . 1 238 38 LEU HB2 H 1.685 . 2 239 38 LEU HB3 H 1.508 . 2 240 38 LEU CA C 57.41 . 1 241 38 LEU CB C 41.756 . 1 242 38 LEU N N 122.957 . 1 4236 38 LEU HG H 1.60 . 1 4237 38 LEU HD1 H 0.899 . 2 4238 38 LEU HD2 H 0.961 . 2 4239 38 LEU CG C 27.76 . 1 4240 38 LEU CD1 C 26.63 . 2 4241 38 LEU CD2 C 24.77 . 2 9038 38 LEU C C 178.439 . 1 243 39 ALA H H 8.088 . 1 244 39 ALA HA H 4.012 . 1 245 39 ALA HB H 1.388 . 1 246 39 ALA CA C 54.431 . 1 247 39 ALA CB C 18.467 . 1 248 39 ALA N N 121.176 . 1 9039 39 ALA C C 177.912 . 1 251 40 LYS H H 7.317 . 1 252 40 LYS HA H 4.068 . 1 253 40 LYS HB2 H 1.915 . 2 254 40 LYS HB3 H 1.915 . 2 255 40 LYS HG2 H 1.556 . 2 256 40 LYS HE2 H 2.961 . 2 257 40 LYS HE3 H 2.961 . 1 258 40 LYS CA C 58.293 . 1 259 40 LYS CB C 32.600 . 1 260 40 LYS CG C 25.049 . 1 261 40 LYS CD C 29.275 . 1 263 40 LYS CE C 42.117 . 1 264 40 LYS N N 115.241 . 1 6255 40 LYS HG3 H 1.556 . 2 9040 40 LYS C C 177.801 . 1 265 41 GLU H H 7.385 . 1 266 41 GLU HA H 4.295 . 1 267 41 GLU HB2 H 1.819 . 2 268 41 GLU HB3 H 2.205 . 2 269 41 GLU HG2 H 2.385 . 2 270 41 GLU HG3 H 2.312 . 2 271 41 GLU CA C 56.856 . 1 272 41 GLU CB C 31.868 . 1 273 41 GLU CG C 35.748 . 1 274 41 GLU N N 115.291 . 1 9041 41 GLN C C 175.473 . 1 275 42 CYS H H 7.629 . 1 276 42 CYS CA C 55.861 . 1 277 42 CYS CB C 27.562 . 1 278 42 CYS N N 117.545 . 1 1270 42 CYS HA H 2.919 . 1 1271 42 CYS HB3 H 1.563 . 2 1272 42 CYS HB2 H 1.563 . 2 279 43 PRO HA H 4.382 . 1 280 43 PRO HB2 H 1.733 . 2 281 43 PRO HB3 H 2.227 . 2 282 43 PRO HG2 H 1.824 . 2 283 43 PRO HG3 H 1.548 . 2 284 43 PRO HD2 H 2.958 . 2 285 43 PRO HD3 H 2.714 . 2 286 43 PRO CA C 64.024 . 1 287 43 PRO CB C 31.697 . 1 288 43 PRO CG C 27.434 . 1 289 43 PRO CD C 50.254 . 1 9043 43 PRO C C 175.654 . 1 290 44 LEU H H 7.438 . 1 291 44 LEU HA H 4.65 . 1 292 44 LEU HB2 H 1.249 . 2 293 44 LEU HB3 H 1.449 . 2 294 44 LEU HG H 1.536 . 1 295 44 LEU HD2 H 0.725 . 2 296 44 LEU CA C 53.055 . 1 297 44 LEU CB C 43.638 . 1 298 44 LEU CG C 27.05 . 1 299 44 LEU CD2 C 23.33 . 2 300 44 LEU N N 118.932 . 1 7295 44 LEU HD1 H 0.414 . 2 7299 44 LEU CD1 C 26.90 . 2 9044 44 LEU C C 175.153 . 1 301 45 SER H H 7.842 . 1 302 45 SER HA H 4.437 . 1 303 45 SER HB2 H 4.305 . 2 304 45 SER HB3 H 3.974 . 2 305 45 SER CA C 56.716 . 1 306 45 SER CB C 65.460 . 1 307 45 SER N N 116.305 . 1 9045 45 SER C C 174.798 . 1 308 46 GLN H H 9.116 . 1 309 46 GLN HA H 3.681 . 1 310 46 GLN HB2 H 1.995 . 2 311 46 GLN HB3 H 1.995 . 2 312 46 GLN HG2 H 2.272 . 2 313 46 GLN HG3 H 2.272 . 2 314 46 GLN HE21 H 6.795 . 2 315 46 GLN HE22 H 7.559 . 2 316 46 GLN CA C 60.583 . 1 317 46 GLN CB C 28.134 . 1 318 46 GLN CG C 34.395 . 1 319 46 GLN N N 120.751 . 1 320 46 GLN NE2 N 111.90 . 1 9046 46 GLN C C 177.986 . 1 321 47 SER H H 8.397 . 1 322 47 SER HA H 4.091 . 1 323 47 SER HB2 H 3.783 . 2 324 47 SER HB3 H 3.783 . 2 325 47 SER CA C 61.097 . 1 326 47 SER CB C 62.426 . 1 327 47 SER N N 112.912 . 1 9047 47 SER C C 177.293 . 1 328 48 MET H H 7.622 . 1 329 48 MET HA H 4.024 . 1 330 48 MET HB2 H 2.494 . 2 331 48 MET HB3 H 2.553 . 2 332 48 MET HE H 2.175 . 2 333 48 MET CA C 59.074 . 1 334 48 MET CB C 33.177 . 1 335 48 MET CG C 33.133 . 1 336 48 MET N N 123.332 . 1 6332 48 MET HG2 H 2.174 . 2 6335 48 MET CE C 17.75 . 1 7332 48 MET HG3 H 2.174 . 2 9048 48 MET C C 177.796 . 1 340 49 ILE H H 8.305 . 1 341 49 ILE HA H 3.194 . 1 342 49 ILE HB H 1.779 . 1 343 49 ILE HG12 H 0.586 . 2 344 49 ILE HG13 H 1.629 . 2 345 49 ILE HG2 H 0.767 . 2 346 49 ILE HD1 H 0.537 . 2 347 49 ILE CA C 66.429 . 1 348 49 ILE CB C 38.457 . 1 349 49 ILE CG1 C 29.577 . 2 350 49 ILE CG2 C 17.056 . 2 351 49 ILE CD1 C 13.600 . 2 352 49 ILE N N 119.136 . 1 9049 49 ILE C C 177.177 . 1 353 50 SER H H 8.097 . 1 354 50 SER HA H 3.979 . 1 355 50 SER HB3 H 3.875 . 2 356 50 SER CA C 61.749 . 1 357 50 SER CB C 63.060 . 1 358 50 SER N N 112.353 . 1 7355 50 SER HB2 H 3.875 . 2 9050 50 SER C C 176.776 . 1 359 51 SER H H 7.901 . 1 360 51 SER HA H 4.114 . 1 361 51 SER HB2 H 3.595 . 2 362 51 SER HB3 H 3.804 . 2 363 51 SER CA C 62.475 . 1 364 51 SER CB C 63.012 . 1 365 51 SER N N 115.934 . 1 9051 51 SER C C 176.255 . 1 366 52 ILE H H 7.987 . 1 367 52 ILE HA H 3.652 . 1 368 52 ILE HB H 1.606 . 1 369 52 ILE HG12 H 0.737 . 2 370 52 ILE HG13 H 1.685 . 2 371 52 ILE HG2 H 0.647 . 2 372 52 ILE HD1 H 0.513 . 2 373 52 ILE CA C 64.840 . 1 374 52 ILE CB C 37.902 . 1 375 52 ILE CG1 C 29.069 . 2 376 52 ILE CG2 C 17.717 . 2 377 52 ILE CD1 C 14.061 . 2 378 52 ILE N N 120.449 . 1 9052 52 ILE C C 178.410 . 1 379 53 VAL H H 8.303 . 1 380 53 VAL HA H 3.654 . 1 381 53 VAL HB H 2.054 . 1 382 53 VAL CA C 66.061 . 1 383 53 VAL CB C 31.767 . 1 384 53 VAL CG1 C 21.96 . 2 385 53 VAL N N 115.656 . 1 1381 53 VAL HG1 H 0.902 . 2 1382 53 VAL HG2 H 0.8375 . 2 1384 53 VAL CG2 C 21.73 . 2 9053 53 VAL C C 177.313 . 1 386 54 ASN H H 7.984 . 1 387 54 ASN HA H 4.760 . 1 388 54 ASN HB2 H 2.824 . 2 389 54 ASN HB3 H 2.824 . 2 390 54 ASN CA C 54.273 . 1 391 54 ASN CB C 39.212 . 1 392 54 ASN N N 116.134 . 1 6203 54 ASN HD21 H 7.487 . 2 6204 54 ASN HD22 H 6.961 . 2 6208 54 ASN ND2 N 113.8 . 1 9054 54 ASN C C 175.078 . 1 393 55 SER H H 7.520 . 1 394 55 SER HA H 4.507 . 1 395 55 SER HB2 H 3.919 . 2 396 55 SER HB3 H 3.919 . 2 397 55 SER CA C 58.103 . 1 398 55 SER CB C 63.90 . 1 399 55 SER N N 114.00 . 1 9055 55 SER C C 174.080 . 1 400 56 THR H H 8.246 . 1 401 56 THR HA H 4.091 . 1 402 56 THR HB H 4.076 . 1 403 56 THR CA C 62.240 . 1 404 56 THR CB C 68.925 . 1 405 56 THR CG2 C 21.633 . 2 406 56 THR N N 113.388 . 1 6402 56 THR HG2 H 1.018 . 1 9056 56 THR C C 174.230 . 1 407 57 TYR H H 7.847 . 1 408 57 TYR HA H 4.385 . 1 409 57 TYR HB2 H 2.769 . 2 410 57 TYR HB3 H 2.889 . 2 411 57 TYR CA C 57.924 . 1 412 57 TYR CB C 38.781 . 1 413 57 TYR N N 120.408 . 1 7608 57 TYR HD1 H 6.963 . 3 7609 57 TYR HD2 H 6.963 . 3 7610 57 TYR HE1 H 6.677 . 3 7611 57 TYR HE2 H 6.677 . 3 7612 57 TYR CD1 C 133.0 . 3 7613 57 TYR CD2 C 133.0 . 3 7614 57 TYR CE1 C 118.1 . 3 7615 57 TYR CE2 C 118.1 . 3 9057 57 TYR C C 175.132 . 1 414 58 TYR H H 7.667 . 1 415 58 TYR HA H 4.288 . 1 416 58 TYR HB2 H 2.672 . 2 417 58 TYR HB3 H 2.669 . 2 418 58 TYR CA C 57.726 . 1 419 58 TYR CB C 38.321 . 1 420 58 TYR N N 122.335 . 1 7604 58 TYR HD1 H 6.805 . 3 7605 58 TYR HD2 H 6.805 . 3 7606 58 TYR HE1 H 6.694 . 3 7607 58 TYR HE2 H 6.694 . 3 7616 58 TYR CD1 C 132.7 . 3 7617 58 TYR CD2 C 132.7 . 3 7618 58 TYR CE1 C 118.2 . 3 7619 58 TYR CE2 C 118.2 . 3 9058 58 TYR C C 175.093 . 1 421 59 ALA H H 7.258 . 1 422 59 ALA HA H 3.929 . 1 423 59 ALA HB H 1.016 . 1 424 59 ALA CA C 52.466 . 1 425 59 ALA CB C 19.158 . 1 426 59 ALA N N 124.239 . 1 9059 59 ALA C C 176.797 . 1 427 60 ASN H H 7.622 . 1 428 60 ASN HA H 4.542 . 1 429 60 ASN HB2 H 2.555 . 2 430 60 ASN HB3 H 2.732 . 2 431 60 ASN HD21 H 7.423 . 2 432 60 ASN HD22 H 6.811 . 2 433 60 ASN CA C 52.958 . 1 434 60 ASN CB C 37.837 . 1 435 60 ASN N N 116.033 . 1 436 60 ASN ND2 N 111.8 . 1 9060 60 ASN C C 174.486 . 1 437 61 VAL H H 7.900 . 1 438 61 VAL HA H 4.135 . 1 439 61 VAL HB H 1.936 . 1 440 61 VAL HG1 H 0.885 . 2 441 61 VAL HG2 H 0.885 . 2 442 61 VAL CA C 61.668 . 1 443 61 VAL CB C 32.702 . 1 444 61 VAL CG1 C 21.43 . 2 445 61 VAL CG2 C 21.43 . 2 446 61 VAL N N 122.088 . 1 9061 61 VAL C C 175.085 . 1 447 62 SER H H 8.640 . 1 448 62 SER HA H 4.388 . 1 449 62 SER HB2 H 4.057 . 2 450 62 SER HB3 H 4.377 . 2 451 62 SER CA C 58.187 . 1 452 62 SER CB C 64.87 . 1 453 62 SER N N 124.689 . 1 9062 62 SER C C 175.137 . 1 454 63 ALA H H 9.045 . 1 455 63 ALA HA H 4.167 . 1 456 63 ALA HB H 1.513 . 1 457 63 ALA CA C 55.96 . 1 458 63 ALA CB C 17.695 . 1 459 63 ALA N N 125.907 . 1 9063 63 ALA C C 180.595 . 1 460 64 ALA H H 8.447 . 1 461 64 ALA HA H 4.074 . 1 462 64 ALA HB H 1.404 . 1 463 64 ALA CA C 55.466 . 1 464 64 ALA CB C 17.949 . 1 465 64 ALA N N 119.531 . 1 9064 64 ALA C C 181.159 . 1 466 65 LYS H H 7.920 . 1 467 65 LYS HA H 4.151 . 1 468 65 LYS HB2 H 1.677 . 2 469 65 LYS HB3 H 2.081 . 2 470 65 LYS CA C 57.729 . 1 471 65 LYS CB C 30.726 . 1 472 65 LYS CG C 24.655 . 1 473 65 LYS CD C 27.38 . 1 474 65 LYS CE C 42.119 . 1 475 65 LYS N N 120.121 . 1 1464 65 LYS HG2 H 1.500 . 2 1465 65 LYS HG3 H 1.445 . 2 1466 65 LYS HD2 H 1.12 . 2 1467 65 LYS HD3 H 1.425 . 2 1468 65 LYS HE2 H 2.935 . 2 1469 65 LYS HE3 H 2.935 . 2 9065 65 LYS C C 179.485 . 1 476 66 CYS H H 8.177 . 1 477 66 CYS HA H 3.901 . 1 478 66 CYS HB2 H 2.358 . 2 479 66 CYS HB3 H 3.377 . 2 480 66 CYS CA C 64.775 . 1 481 66 CYS CB C 26.493 . 1 482 66 CYS N N 118.973 . 1 9066 66 CYS C C 176.764 . 1 483 67 GLN H H 8.062 . 1 484 67 GLN HA H 4.034 . 1 485 67 GLN HB2 H 2.046 . 2 486 67 GLN HB3 H 2.181 . 2 487 67 GLN HG2 H 2.595 . 2 488 67 GLN HG3 H 2.595 . 2 489 67 GLN HE21 H 7.053 . 2 490 67 GLN HE22 H 7.486 . 2 491 67 GLN CA C 58.643 . 1 492 67 GLN CB C 27.602 . 1 493 67 GLN CG C 33.601 . 1 494 67 GLN N N 118.729 . 1 495 67 GLN NE2 N 111.6 . 1 9067 67 GLN C C 178.688 . 1 496 68 GLU H H 8.234 . 1 497 68 GLU HA H 3.864 . 1 498 68 GLU HB2 H 2.118 . 2 499 68 GLU HB3 H 2.118 . 2 500 68 GLU HG3 H 2.112 . 1 501 68 GLU HG2 H 2.112 . 2 502 68 GLU CA C 59.624 . 1 503 68 GLU CB C 29.994 . 1 504 68 GLU CG C 36.033 . 1 505 68 GLU N N 121.128 . 1 9068 68 GLN C C 180.069 . 1 506 69 PHE H H 8.636 . 1 507 69 PHE HA H 3.803 . 1 508 69 PHE HB2 H 2.785 . 2 509 69 PHE HD2 H 6.795 . 3 510 69 PHE CA C 62.859 . 1 511 69 PHE CB C 38.44 . 1 512 69 PHE N N 120.807 . 1 2510 69 PHE CD1 C 131.2 . 3 2511 69 PHE CD2 C 131.2 . 3 2512 69 PHE CE1 C 131.4 . 3 2513 69 PHE CE2 C 131.4 . 3 2514 69 PHE CZ C 129.00 . 1 7500 69 PHE HZ H 7.072 . 2 7506 69 PHE HE2 H 7.088 . 3 7507 69 PHE HE1 H 7.088 . 3 7508 69 PHE HD1 H 6.795 . 3 7509 69 PHE HB3 H 3.284 . 2 9069 69 PHE C C 176.169 . 1 513 70 GLY H H 8.181 . 1 514 70 GLY HA2 H 1.798 . 2 515 70 GLY HA3 H 1.798 . 2 516 70 GLY CA C 45.189 . 1 517 70 GLY N N 108.539 . 1 9070 70 GLY C C 175.436 . 1 518 71 ARG H H 7.804 . 1 519 71 ARG HA H 3.84 . 1 520 71 ARG HB2 H 1.807 . 2 521 71 ARG HB3 H 1.842 . 2 522 71 ARG HD2 H 3.267 . 2 523 71 ARG HD3 H 3.154 . 2 524 71 ARG CA C 60.134 . 1 525 71 ARG CB C 30.301 . 1 526 71 ARG CG C 28.14 . 1 527 71 ARG CD C 43.534 . 1 528 71 ARG N N 120.908 . 1 2520 71 ARG HG2 H 1.783 . 2 2521 71 ARG HG3 H 1.525 . 2 9071 71 ARG C C 178.768 . 1 529 72 TRP H H 7.731 . 1 530 72 TRP HA H 4.047 . 1 531 72 TRP HB2 H 3.193 . 2 532 72 TRP HB3 H 3.193 . 2 533 72 TRP CA C 61.51 . 1 534 72 TRP CB C 27.716 . 1 535 72 TRP N N 121.281 . 1 9072 72 TRP C C 177.263 . 1 9929 72 TRP NE1 N 132.19 . 1 9930 72 TRP HE1 H 10.26 . 1 9931 72 TRP CD1 C 127.48 . 1 9932 72 TRP HD1 H 7.281 . 1 9933 72 TRP CZ2 C 114.3 . 1 9934 72 TRP HZ2 H 6.345 . 1 9935 72 TRP CH2 C 123.1 . 1 9937 72 TRP HH2 H 6.247 . 1 9938 72 TRP CZ3 C 120.9 . 1 9939 72 TRP HZ3 H 6.551 . 1 9940 72 TRP CE3 C 119.5 . 1 9941 72 TRP HE3 H 6.56 . 1 536 73 TYR H H 9.004 . 1 537 73 TYR HA H 2.840 . 1 538 73 TYR HB2 H 2.524 . 2 539 73 TYR HB3 H 2.347 . 2 540 73 TYR CA C 61.352 . 1 541 73 TYR CB C 38.782 . 1 542 73 TYR N N 121.394 . 1 7600 73 TYR HD1 H 7.045 . 3 7601 73 TYR HD2 H 7.045 . 3 7602 73 TYR HE1 H 6.970 . 3 7603 73 TYR HE2 H 6.970 . 3 7620 73 TYR CD1 C 132.8 . 3 7621 73 TYR CD2 C 132.8 . 3 7622 73 TYR CE1 C 119.4 . 3 7623 73 TYR CE2 C 119.4 . 3 9073 73 TYR C C 176.632 . 1 543 74 LYS H H 7.718 . 1 544 74 LYS HA H 3.733 . 1 545 74 LYS HB2 H 1.739 . 2 546 74 LYS HB3 H 1.849 . 2 547 74 LYS CA C 59.12 . 1 548 74 LYS CB C 32.132 . 1 549 74 LYS N N 116.614 . 1 1541 74 LYS HE3 H 2.973 . 2 1542 74 LYS HE2 H 2.973 . 2 1543 74 LYS HG3 H 1.487 . 2 1544 74 LYS HG2 H 1.33 . 2 1545 74 LYS HD2 H 1.672 . 2 1546 74 LYS HD3 H 1.672 . 2 1546 74 LYS CG C 24.98 . 1 1547 74 LYS CE C 42.39 . 1 1548 74 LYS CD C 29.87 . 1 9074 74 LYS C C 178.250 . 1 550 75 HIS H H 6.996 . 1 551 75 HIS HA H 4.226 . 1 552 75 HIS HB2 H 3.003 . 2 553 75 HIS HB3 H 3.082 . 2 554 75 HIS CA C 58.420 . 1 555 75 HIS CB C 29.731 . 1 556 75 HIS N N 116.154 . 1 9075 75 HIS C C 176.316 . 1 557 76 PHE H H 8.145 . 1 558 76 PHE HA H 3.735 . 1 559 76 PHE HB2 H 1.812 . 2 560 76 PHE HB3 H 1.673 . 2 561 76 PHE CA C 60.07 . 1 562 76 PHE CB C 38.97 . 1 563 76 PHE N N 123.096 . 1 2515 76 PHE CD1 C 131.8 . 3 2516 76 PHE CD2 C 131.8 . 3 2517 76 PHE CE1 C 131.3 . 3 2518 76 PHE CE2 C 131.3 . 3 7500 76 PHE HD2 H 6.75 . 3 7501 76 PHE HE2 H 7.25 . 3 7502 76 PHE HE1 H 7.25 . 3 7503 76 PHE HD1 H 6.75 . 3 9076 76 PHE C C 177.011 . 1 564 77 LYS H H 7.894 . 1 565 77 LYS HA H 3.609 . 1 566 77 LYS HB2 H 1.276 . 2 567 77 LYS HB3 H 1.423 . 2 568 77 LYS CA C 56.14 . 1 569 77 LYS CB C 31.323 . 1 570 77 LYS CG C 23.83 . 1 571 77 LYS CD C 28.08 . 1 572 77 LYS CE C 41.73 . 1 573 77 LYS N N 118.8 . 1 3562 77 LYS HG2 H 0.91 . 2 3563 77 LYS HG3 H 0.91 . 2 3564 77 LYS HE2 H 2.76 . 2 3565 77 LYS HE3 H 2.874 . 2 3566 77 LYS HD2 H 1.396 . 2 3567 77 LYS HD3 H 1.396 . 2 9077 77 LYS C C 176.883 . 1 574 78 LYS H H 7.362 . 1 575 78 LYS HA H 3.991 . 1 576 78 LYS HB2 H 1.699 . 2 577 78 LYS HB3 H 1.699 . 2 578 78 LYS HG2 H 1.320 . 2 579 78 LYS HG3 H 1.267 . 2 580 78 LYS HD2 H 1.558 . 2 581 78 LYS HD3 H 1.559 . 2 582 78 LYS CA C 57.769 . 1 583 78 LYS CB C 32.172 . 1 584 78 LYS CG C 24.705 . 1 585 78 LYS CD C 29.108 . 1 586 78 LYS CE C 42.045 . 1 587 78 LYS N N 119.919 . 1 2580 78 LYS HE2 H 2.872 . 2 2581 78 LYS HE3 H 2.872 . 2 9078 78 LYS C C 177.630 . 1 588 79 THR H H 7.678 . 1 589 79 THR HA H 4.049 . 1 590 79 THR HB H 4.049 . 1 591 79 THR HG2 H 1.014 . 2 592 79 THR CA C 63.019 . 1 593 79 THR CB C 69.576 . 1 594 79 THR CG2 C 21.581 . 2 595 79 THR N N 113.086 . 1 9079 79 THR C C 175.375 . 1 596 80 LYS H H 7.880 . 1 597 80 LYS HA H 4.062 . 1 598 80 LYS HB2 H 1.618 . 2 599 80 LYS HB3 H 1.501 . 2 600 80 LYS HG2 H 1.175 . 2 601 80 LYS HG3 H 1.175 . 2 602 80 LYS HD2 H 1.459 . 2 603 80 LYS HE2 H 2.810 . 2 604 80 LYS HE3 H 2.805 . 2 605 80 LYS CA C 56.885 . 1 606 80 LYS CB C 32.419 . 1 607 80 LYS CG C 24.137 . 1 608 80 LYS CD C 28.722 . 1 609 80 LYS CE C 42.023 . 1 610 80 LYS N N 122.246 . 1 7602 80 LYS HD3 H 1.459 . 2 9080 80 LYS C C 176.698 . 1 611 81 ASP H H 8.019 . 1 612 81 ASP HA H 4.483 . 1 613 81 ASP HB2 H 2.535 . 2 614 81 ASP HB3 H 2.645 . 2 615 81 ASP CA C 54.916 . 1 616 81 ASP CB C 40.860 . 1 617 81 ASP N N 119.761 . 1 9081 81 ASP C C 176.049 . 1 618 82 MET H H 7.893 . 1 619 82 MET CA C 55.750 . 1 620 82 MET CB C 32.865 . 1 5615 82 MET HG3 H 2.456 . 2 5616 82 MET HG2 H 2.53 . 2 5617 82 MET HB3 H 1.919 . 2 5618 82 MET HB2 H 2.075 . 2 5619 82 MET HA H 4.380 . 1 5620 82 MET CE C 16.69 . 1 5621 82 MET HE H 2.015 . 1 6216 82 MET N N 119.386 . 1 8620 82 MET CG C 31.98 . 1 4618 83 MET H H 7.788 . 1 4619 83 MET CA C 57.46 . 1 4620 83 MET CB C 33.5 . 1 4621 83 MET CE C 16.8 . 1 4622 83 MET HE H 2.01 . 1 4623 83 MET HA H 4.19 . 1 4624 83 MET HB2 H 2.028 . 2 4625 83 MET HB3 H 1.892 . 2 4626 83 MET N N 126.00 . 1 4626 83 MET CG C 32.24 . 1 5613 83 MET HG3 H 2.432 . 2 5614 83 MET HG2 H 2.501 . 2 cwd: /data/PSVS/PSVS-v1.4-dev/results/HR4435B_R3Cons_em_bcr3 command to execute is: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign -c /data/PSVS/PSVS-v1.4-dev/results/HR4435B_R3Cons_em_bcr3/rpf_calc/input/ctrl_file -o rpf_calc -q HR4435B_R3Cons_em_bcr3.pdb.iupac 2>&1| ASDP Version 1.0 Copyright(C) 2010 Center for Advanced Biotechnology and Medicine (CABM) Rutgers University Reading Control_File ...  Doing SimpleMatch for n.peaks ...   Doing SimpleMatch for c_aro.peaks ...   Doing SimpleMatch for c_ali.peaks ...   Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4435B_R3Cons_em_bcr3.pdb.iupac  quality-estimation for n.peaks ...   Doing Recall analysis for n.peaks ...  Doing Precision analysis for n.peaks ...  Doing Recall analysis for n.peaks ...  Doing Precision analysis for n.peaks ... prtSimleMatchPeakAtom for n.peaks ...   quality-estimation for c_aro.peaks ...   Doing Recall analysis for c_aro.peaks ...  Doing Precision analysis for c_aro.peaks ...  Doing Recall analysis for c_aro.peaks ...  Doing Precision analysis for c_aro.peaks ... prtSimleMatchPeakAtom for c_aro.peaks ...   quality-estimation for c_ali.peaks ...   Doing Recall analysis for c_ali.peaks ...  Doing Precision analysis for c_ali.peaks ...  Doing Recall analysis for c_ali.peaks ...  Doing Precision analysis for c_ali.peaks ... prtSimleMatchPeakAtom for c_ali.peaks ...