AS object created. control filepath is: /data/PSVS/PSVS-v1.4-dev/results/GMR137_R3_em_bcr3/rpf_calc/input/ctrl_file bmrb: chem_shift.bmrb sequence: GMR137_R3_em_bcr3_seq.bmrb parsing bmrb: /data/PSVS/PSVS-v1.4-dev/results/GMR137_R3_em_bcr3/rpf_calc/input/chem_shift.bmrb new residue 1 adding: *1* *1* *Met* *HA* *H* *4.344* *.* *1* old residue 1 adding: *2* *1* *Met* *HB2* *H* *2.273* *.* *2* old residue 1 adding: *3* *1* *Met* *HB3* *H* *2.074* *.* *2* old residue 1 adding: *4* *1* *Met* *HG2* *H* *2.203* *.* *2* old residue 1 adding: *5* *1* *Met* *HG3* *H* *2.347* *.* *2* old residue 1 adding: *6* *1* *Met* *CA* *C* *55.19* *.* *1* old residue 1 adding: *7* *1* *Met* *CB* *C* *33.84* *.* *1* old residue 1 adding: *8* *1* *Met* *CG* *C* *30.15* *.* *1* new residue 2 adding: *9* *2* *Asn* *H* *H* *9.6450* *.* *1* old residue 2 adding: *10* *2* *Asn* *HA* *H* *5.43* *.* *1* old residue 2 adding: *11* *2* *Asn* *HB2* *H* *2.863* *.* *2* old residue 2 adding: *12* *2* *Asn* *HB3* *H* *2.863* *.* *2* old residue 2 adding: *13* *2* *Asn* *HD21* *H* *6.936* *.* *2* old residue 2 adding: *14* *2* *Asn* *HD22* *H* *7.945* *.* *2* old residue 2 adding: *15* *2* *Asn* *CA* *C* *52.761* *.* *1* old residue 2 adding: *16* *2* *Asn* *CB* *C* *40.14* *.* *1* old residue 2 adding: *17* *2* *Asn* *N* *N* *125.3* *.* *1* old residue 2 adding: *18* *2* *Asn* *ND2* *N* *115.6* *.* *1* new residue 3 adding: *19* *3* *Leu* *H* *H* *8.769* *.* *1* old residue 3 adding: *20* *3* *Leu* *HA* *H* *4.949* *.* *1* old residue 3 adding: *21* *3* *Leu* *HB2* *H* *1.611* *.* *2* old residue 3 adding: *22* *3* *Leu* *HB3* *H* *1.409* *.* *2* old residue 3 adding: *23* *3* *Leu* *HG* *H* *1.279* *.* *1* old residue 3 adding: *24* *3* *Leu* *HD1* *H* *0.755* *.* *2* old residue 3 adding: *25* *3* *Leu* *HD2* *H* *0.609* *.* *2* old residue 3 adding: *26* *3* *Leu* *C* *C* *176.32* *.* *1* old residue 3 adding: *27* *3* *Leu* *CA* *C* *54.223* *.* *1* old residue 3 adding: *28* *3* *Leu* *CB* *C* *45.941* *.* *1* old residue 3 adding: *29* *3* *Leu* *CG* *C* *27.53* *.* *1* old residue 3 adding: *30* *3* *Leu* *CD1* *C* *25.026* *.* *2* old residue 3 adding: *31* *3* *Leu* *CD2* *C* *27.523* *.* *2* old residue 3 adding: *32* *3* *Leu* *N* *N* *121.8* *.* *1* new residue 4 adding: *33* *4* *Thr* *H* *H* *8.329* *.* *1* old residue 4 adding: *34* *4* *Thr* *HA* *H* *4.744* *.* *1* old residue 4 adding: *35* *4* *Thr* *HB* *H* *3.791* *.* *1* old residue 4 adding: *36* *4* *Thr* *HG2* *H* *0.975* *.* *1* old residue 4 adding: *37* *4* *Thr* *C* *C* *173.65* *.* *1* old residue 4 adding: *38* *4* *Thr* *CA* *C* *62.15* *.* *1* old residue 4 adding: *39* *4* *Thr* *CB* *C* *69.43* *.* *1* old residue 4 adding: *40* *4* *Thr* *CG2* *C* *21.47* *.* *1* old residue 4 adding: *41* *4* *Thr* *N* *N* *116.2* *.* *1* new residue 5 adding: *42* *5* *Val* *H* *H* *8.955* *.* *1* old residue 5 adding: *43* *5* *Val* *HA* *H* *4.683* *.* *1* old residue 5 adding: *44* *5* *Val* *HB* *H* *1.952* *.* *1* old residue 5 adding: *45* *5* *Val* *HG1* *H* *0.719* *.* *2* old residue 5 adding: *46* *5* *Val* *HG2* *H* *0.719* *.* *2* old residue 5 adding: *47* *5* *Val* *C* *C* *176.47* *.* *1* old residue 5 adding: *48* *5* *Val* *CA* *C* *60.724* *.* *1* old residue 5 adding: *49* *5* *Val* *CB* *C* *33.59* *.* *1* old residue 5 adding: *50* *5* *Val* *CG1* *C* *21.18* *.* *2* old residue 5 adding: *51* *5* *Val* *CG2* *C* *21.18* *.* *2* old residue 5 adding: *52* *5* *Val* *N* *N* *126.0* *.* *1* new residue 6 adding: *53* *6* *Asn* *H* *H* *9.534* *.* *1* old residue 6 adding: *54* *6* *Asn* *HA* *H* *4.636* *.* *1* old residue 6 adding: *55* *6* *Asn* *HB2* *H* *3.08* *.* *2* old residue 6 adding: *56* *6* *Asn* *HB3* *H* *2.924* *.* *2* old residue 6 adding: *57* *6* *Asn* *HD21* *H* *6.43* *.* *2* old residue 6 adding: *58* *6* *Asn* *HD22* *H* *7.67* *.* *2* old residue 6 adding: *59* *6* *Asn* *C* *C* *175.9* *.* *1* old residue 6 adding: *60* *6* *Asn* *CA* *C* *54.15* *.* *1* old residue 6 adding: *61* *6* *Asn* *CB* *C* *36.41* *.* *1* old residue 6 adding: *62* *6* *Asn* *N* *N* *129.4* *.* *1* old residue 6 adding: *63* *6* *Asn* *ND2* *N* *109.7* *.* *1* new residue 7 adding: *64* *7* *Gly* *H* *H* *8.915* *.* *1* old residue 7 adding: *65* *7* *Gly* *HA2* *H* *4.170* *.* *2* old residue 7 adding: *66* *7* *Gly* *HA3* *H* *3.485* *.* *2* old residue 7 adding: *67* *7* *Gly* *C* *C* *173.95* *.* *1* old residue 7 adding: *68* *7* *Gly* *CA* *C* *45.337* *.* *1* old residue 7 adding: *69* *7* *Gly* *N* *N* *102.2* *.* *1* new residue 8 adding: *70* *8* *Lys* *H* *H* *7.9* *.* *1* old residue 8 adding: *71* *8* *Lys* *HA* *H* *4.987* *.* *1* old residue 8 adding: *72* *8* *Lys* *HB2* *H* *1.912* *.* *2* old residue 8 adding: *73* *8* *Lys* *HB3* *H* *1.812* *.* *2* old residue 8 adding: *74* *8* *Lys* *HG2* *H* *1.516* *.* *2* old residue 8 adding: *75* *8* *Lys* *HG3* *H* *1.437* *.* *2* old residue 8 adding: *76* *8* *Lys* *HD2* *H* *1.753* *.* *2* old residue 8 adding: *77* *8* *Lys* *HD3* *H* *1.753* *.* *2* old residue 8 adding: *78* *8* *Lys* *HE2* *H* *2.83* *.* *2* old residue 8 adding: *79* *8* *Lys* *HE3* *H* *2.83* *.* *2* old residue 8 adding: *80* *8* *Lys* *CA* *C* *52.94* *.* *1* old residue 8 adding: *81* *8* *Lys* *CB* *C* *34.01* *.* *1* old residue 8 adding: *82* *8* *Lys* *CG* *C* *24.5* *.* *1* old residue 8 adding: *83* *8* *Lys* *CD* *C* *29.07* *.* *1* old residue 8 adding: *84* *8* *Lys* *CE* *C* *42.39* *.* *1* old residue 8 adding: *85* *8* *Lys* *N* *N* *121.7* *.* *1* new residue 9 adding: *86* *9* *Pro* *HA* *H* *4.7* *.* *1* old residue 9 adding: *87* *9* *Pro* *HB2* *H* *2.371* *.* *2* old residue 9 adding: *88* *9* *Pro* *HB3* *H* *1.972* *.* *2* old residue 9 adding: *89* *9* *Pro* *HG2* *H* *2.027* *.* *2* old residue 9 adding: *90* *9* *Pro* *HG3* *H* *2.181* *.* *2* old residue 9 adding: *91* *9* *Pro* *HD2* *H* *3.997* *.* *2* old residue 9 adding: *92* *9* *Pro* *HD3* *H* *3.725* *.* *2* old residue 9 adding: *93* *9* *Pro* *C* *C* *176.90* *.* *1* old residue 9 adding: *94* *9* *Pro* *CA* *C* *63.99* *.* *1* old residue 9 adding: *95* *9* *Pro* *CB* *C* *32* *.* *1* old residue 9 adding: *96* *9* *Pro* *CG* *C* *27.72* *.* *1* old residue 9 adding: *97* *9* *Pro* *CD* *C* *51.19* *.* *1* new residue 10 adding: *98* *10* *Ser* *H* *H* *8.97* *.* *1* old residue 10 adding: *99* *10* *Ser* *HA* *H* *4.822* *.* *1* old residue 10 adding: *100* *10* *Ser* *HB2* *H* *3.554* *.* *2* old residue 10 adding: *101* *10* *Ser* *HB3* *H* *3.554* *.* *2* old residue 10 adding: *102* *10* *Ser* *C* *C* *172.80* *.* *1* old residue 10 adding: *103* *10* *Ser* *CA* *C* *57.88* *.* *1* old residue 10 adding: *104* *10* *Ser* *CB* *C* *66.361* *.* *1* old residue 10 adding: *105* *10* *Ser* *N* *N* *120.3* *.* *1* new residue 11 adding: *106* *11* *Thr* *H* *H* *8.59* *.* *1* old residue 11 adding: *107* *11* *Thr* *HA* *H* *5.163* *.* *1* old residue 11 adding: *108* *11* *Thr* *HB* *H* *3.904* *.* *1* old residue 11 adding: *109* *11* *Thr* *HG2* *H* *1.148* *.* *1* old residue 11 adding: *110* *11* *Thr* *C* *C* *173.72* *.* *1* old residue 11 adding: *111* *11* *Thr* *CA* *C* *61.38* *.* *1* old residue 11 adding: *112* *11* *Thr* *CB* *C* *71.95* *.* *1* old residue 11 adding: *113* *11* *Thr* *CG2* *C* *21.579* *.* *1* old residue 11 adding: *114* *11* *Thr* *N* *N* *120.191* *.* *1* new residue 12 adding: *115* *12* *Val* *H* *H* *8.563* *.* *1* old residue 12 adding: *116* *12* *Val* *HA* *H* *4.172* *.* *1* old residue 12 adding: *117* *12* *Val* *HB* *H* *1.814* *.* *1* old residue 12 adding: *118* *12* *Val* *HG1* *H* *0.792* *.* *2* old residue 12 adding: *119* *12* *Val* *HG2* *H* *0.695* *.* *2* old residue 12 adding: *120* *12* *Val* *C* *C* *175.38* *.* *1* old residue 12 adding: *121* *12* *Val* *CA* *C* *61.35* *.* *1* old residue 12 adding: *122* *12* *Val* *CB* *C* *33.053* *.* *1* old residue 12 adding: *123* *12* *Val* *CG1* *C* *21.346* *.* *2* old residue 12 adding: *124* *12* *Val* *CG2* *C* *20.36* *.* *2* old residue 12 adding: *125* *12* *Val* *N* *N* *125.0* *.* *1* new residue 13 adding: *126* *13* *Asp* *H* *H* *8.878* *.* *1* old residue 13 adding: *127* *13* *Asp* *HA* *H* *4.501* *.* *1* old residue 13 adding: *128* *13* *Asp* *HB2* *H* *2.612* *.* *2* old residue 13 adding: *129* *13* *Asp* *HB3* *H* *2.513* *.* *2* old residue 13 adding: *130* *13* *Asp* *C* *C* *177.18* *.* *1* old residue 13 adding: *131* *13* *Asp* *CA* *C* *55.12* *.* *1* old residue 13 adding: *132* *13* *Asp* *CB* *C* *41.45* *.* *1* old residue 13 adding: *133* *13* *Asp* *N* *N* *128.3* *.* *1* new residue 14 adding: *134* *14* *Gly* *H* *H* *8.697* *.* *1* old residue 14 adding: *135* *14* *Gly* *HA2* *H* *4.076* *.* *2* old residue 14 adding: *136* *14* *Gly* *HA3* *H* *3.719* *.* *2* old residue 14 adding: *137* *14* *Gly* *C* *C* *173.244* *.* *1* old residue 14 adding: *138* *14* *Gly* *CA* *C* *45.887* *.* *1* old residue 14 adding: *139* *14* *Gly* *N* *N* *109.9* *.* *1* new residue 15 adding: *140* *15* *Ala* *H* *H* *7.36* *.* *1* old residue 15 adding: *141* *15* *Ala* *HA* *H* *4.601* *.* *1* old residue 15 adding: *142* *15* *Ala* *HB* *H* *1.258* *.* *1* old residue 15 adding: *143* *15* *Ala* *C* *C* *176.24* *.* *1* old residue 15 adding: *144* *15* *Ala* *CA* *C* *51.37* *.* *1* old residue 15 adding: *145* *15* *Ala* *CB* *C* *20.97* *.* *1* old residue 15 adding: *146* *15* *Ala* *N* *N* *121.213* *.* *1* new residue 16 adding: *147* *16* *Glu* *H* *H* *8.967* *.* *1* old residue 16 adding: *148* *16* *Glu* *HA* *H* *4.406* *.* *1* old residue 16 adding: *149* *16* *Glu* *HB2* *H* *2.165* *.* *2* old residue 16 adding: *150* *16* *Glu* *HB3* *H* *1.974* *.* *2* old residue 16 adding: *151* *16* *Glu* *HG2* *H* *2.34* *.* *2* old residue 16 adding: *152* *16* *Glu* *HG3* *H* *2.277* *.* *2* old residue 16 adding: *153* *16* *Glu* *C* *C* *175.8* *.* *1* old residue 16 adding: *154* *16* *Glu* *CA* *C* *57.17* *.* *1* old residue 16 adding: *155* *16* *Glu* *CB* *C* *30.70* *.* *1* old residue 16 adding: *156* *16* *Glu* *CG* *C* *36.31* *.* *1* old residue 16 adding: *157* *16* *Glu* *N* *N* *120.8* *.* *1* new residue 17 adding: *158* *17* *Ser* *H* *H* *7.587* *.* *1* old residue 17 adding: *159* *17* *Ser* *HA* *H* *4.891* *.* *1* old residue 17 adding: *160* *17* *Ser* *HB2* *H* *3.811* *.* *2* old residue 17 adding: *161* *17* *Ser* *HB3* *H* *3.811* *.* *2* old residue 17 adding: *162* *17* *Ser* *C* *C* *172.4* *.* *1* old residue 17 adding: *163* *17* *Ser* *CA* *C* *57.797* *.* *1* old residue 17 adding: *164* *17* *Ser* *CB* *C* *64.571* *.* *1* old residue 17 adding: *165* *17* *Ser* *N* *N* *111.6* *.* *1* new residue 18 adding: *166* *18* *Leu* *H* *H* *8.285* *.* *1* old residue 18 adding: *167* *18* *Leu* *HA* *H* *4.810* *.* *1* old residue 18 adding: *168* *18* *Leu* *HB2* *H* *1.793* *.* *2* old residue 18 adding: *169* *18* *Leu* *HB3* *H* *1.302* *.* *2* old residue 18 adding: *170* *18* *Leu* *HG* *H* *1.446* *.* *1* old residue 18 adding: *171* *18* *Leu* *HD1* *H* *0.860* *.* *2* old residue 18 adding: *172* *18* *Leu* *HD2* *H* *0.656* *.* *2* old residue 18 adding: *173* *18* *Leu* *C* *C* *175.8* *.* *1* old residue 18 adding: *174* *18* *Leu* *CA* *C* *54.23* *.* *1* old residue 18 adding: *175* *18* *Leu* *CB* *C* *47.43* *.* *1* old residue 18 adding: *176* *18* *Leu* *CG* *C* *26.73* *.* *1* old residue 18 adding: *177* *18* *Leu* *CD1* *C* *23.86* *.* *2* old residue 18 adding: *178* *18* *Leu* *CD2* *C* *26.51* *.* *2* old residue 18 adding: *179* *18* *Leu* *N* *N* *122.165* *.* *1* new residue 19 adding: *180* *19* *Asn* *H* *H* *8.92* *.* *1* old residue 19 adding: *181* *19* *Asn* *HA* *H* *5.768* *.* *1* old residue 19 adding: *182* *19* *Asn* *HB2* *H* *3.426* *.* *2* old residue 19 adding: *183* *19* *Asn* *HB3* *H* *2.706* *.* *2* old residue 19 adding: *184* *19* *Asn* *HD21* *H* *7.16* *.* *2* old residue 19 adding: *185* *19* *Asn* *HD22* *H* *7.38* *.* *2* old residue 19 adding: *186* *19* *Asn* *C* *C* *176.17* *.* *1* old residue 19 adding: *187* *19* *Asn* *CA* *C* *51.65* *.* *1* old residue 19 adding: *188* *19* *Asn* *CB* *C* *38.43* *.* *1* old residue 19 adding: *189* *19* *Asn* *N* *N* *118.7* *.* *1* old residue 19 adding: *190* *19* *Asn* *ND2* *N* *112.1* *.* *1* new residue 20 adding: *191* *20* *Val* *H* *H* *7.805* *.* *1* old residue 20 adding: *192* *20* *Val* *HA* *H* *3.297* *.* *1* old residue 20 adding: *193* *20* *Val* *HB* *H* *1.926* *.* *1* old residue 20 adding: *194* *20* *Val* *HG1* *H* *0.734* *.* *2* old residue 20 adding: *195* *20* *Val* *HG2* *H* *-0.013* *.* *2* old residue 20 adding: *196* *20* *Val* *C* *C* *176.77* *.* *1* old residue 20 adding: *197* *20* *Val* *CA* *C* *67.36* *.* *1* old residue 20 adding: *198* *20* *Val* *CB* *C* *30.94* *.* *1* old residue 20 adding: *199* *20* *Val* *CG1* *C* *23.28* *.* *2* old residue 20 adding: *200* *20* *Val* *CG2* *C* *21.14* *.* *2* old residue 20 adding: *201* *20* *Val* *N* *N* *117.90* *.* *1* new residue 21 adding: *202* *21* *Thr* *H* *H* *7.23* *.* *1* old residue 21 adding: *203* *21* *Thr* *HA* *H* *3.665* *.* *1* old residue 21 adding: *204* *21* *Thr* *HB* *H* *4.357* *.* *1* old residue 21 adding: *205* *21* *Thr* *HG2* *H* *1.26* *.* *1* old residue 21 adding: *206* *21* *Thr* *C* *C* *177.36* *.* *1* old residue 21 adding: *207* *21* *Thr* *CA* *C* *67.077* *.* *1* old residue 21 adding: *208* *21* *Thr* *CB* *C* *68.46* *.* *1* old residue 21 adding: *209* *21* *Thr* *CG2* *C* *22.79* *.* *1* old residue 21 adding: *210* *21* *Thr* *N* *N* *117.4* *.* *1* new residue 22 adding: *211* *22* *Glu* *H* *H* *8.75* *.* *1* old residue 22 adding: *212* *22* *Glu* *HA* *H* *4.046* *.* *1* old residue 22 adding: *213* *22* *Glu* *HB2* *H* *2.335* *.* *2* old residue 22 adding: *214* *22* *Glu* *HB3* *H* *1.938* *.* *2* old residue 22 adding: *215* *22* *Glu* *HG2* *H* *2.24* *.* *2* old residue 22 adding: *216* *22* *Glu* *HG3* *H* *2.563* *.* *2* old residue 22 adding: *217* *22* *Glu* *C* *C* *179.91* *.* *1* old residue 22 adding: *218* *22* *Glu* *CA* *C* *58.55* *.* *1* old residue 22 adding: *219* *22* *Glu* *CB* *C* *30.55* *.* *1* old residue 22 adding: *220* *22* *Glu* *CG* *C* *36.65* *.* *1* old residue 22 adding: *221* *22* *Glu* *N* *N* *121.238* *.* *1* new residue 23 adding: *222* *23* *Leu* *H* *H* *8.766* *.* *1* old residue 23 adding: *223* *23* *Leu* *HA* *H* *3.935* *.* *1* old residue 23 adding: *224* *23* *Leu* *HB2* *H* *2.204* *.* *2* old residue 23 adding: *225* *23* *Leu* *HB3* *H* *1.361* *.* *2* old residue 23 adding: *226* *23* *Leu* *HG* *H* *1.621* *.* *1* old residue 23 adding: *227* *23* *Leu* *HD1* *H* *0.875* *.* *2* old residue 23 adding: *228* *23* *Leu* *HD2* *H* *0.779* *.* *2* old residue 23 adding: *229* *23* *Leu* *C* *C* *177.8* *.* *1* old residue 23 adding: *230* *23* *Leu* *CA* *C* *58.24* *.* *1* old residue 23 adding: *231* *23* *Leu* *CB* *C* *41.844* *.* *1* old residue 23 adding: *232* *23* *Leu* *CG* *C* *26.83* *.* *1* old residue 23 adding: *233* *23* *Leu* *CD1* *C* *26.82* *.* *2* old residue 23 adding: *234* *23* *Leu* *CD2* *C* *24.24* *.* *2* old residue 23 adding: *235* *23* *Leu* *N* *N* *123.9* *.* *1* new residue 24 adding: *236* *24* *Leu* *H* *H* *8.305* *.* *1* old residue 24 adding: *237* *24* *Leu* *HA* *H* *3.69* *.* *1* old residue 24 adding: *238* *24* *Leu* *HB2* *H* *2.019* *.* *2* old residue 24 adding: *239* *24* *Leu* *HB3* *H* *1.17* *.* *2* old residue 24 adding: *240* *24* *Leu* *HG* *H* *1.864* *.* *1* old residue 24 adding: *241* *24* *Leu* *HD1* *H* *0.413* *.* *2* old residue 24 adding: *242* *24* *Leu* *HD2* *H* *0.785* *.* *2* old residue 24 adding: *243* *24* *Leu* *C* *C* *179.62* *.* *1* old residue 24 adding: *244* *24* *Leu* *CA* *C* *58.01* *.* *1* old residue 24 adding: *245* *24* *Leu* *CB* *C* *41.320* *.* *1* old residue 24 adding: *246* *24* *Leu* *CG* *C* *26.61* *.* *1* old residue 24 adding: *247* *24* *Leu* *CD1* *C* *23.577* *.* *2* old residue 24 adding: *248* *24* *Leu* *CD2* *C* *26.07* *.* *2* old residue 24 adding: *249* *24* *Leu* *N* *N* *117.1* *.* *1* new residue 25 adding: *250* *25* *Ser* *H* *H* *7.226* *.* *1* old residue 25 adding: *251* *25* *Ser* *HA* *H* *4.304* *.* *1* old residue 25 adding: *252* *25* *Ser* *HB2* *H* *3.949* *.* *2* old residue 25 adding: *253* *25* *Ser* *HB3* *H* *3.949* *.* *2* old residue 25 adding: *254* *25* *Ser* *C* *C* *178.1* *.* *1* old residue 25 adding: *255* *25* *Ser* *CA* *C* *60.9* *.* *1* old residue 25 adding: *256* *25* *Ser* *CB* *C* *62.85* *.* *1* old residue 25 adding: *257* *25* *Ser* *N* *N* *111.5* *.* *1* new residue 26 adding: *258* *26* *Ala* *H* *H* *8.712* *.* *1* old residue 26 adding: *259* *26* *Ala* *HA* *H* *4.138* *.* *1* old residue 26 adding: *260* *26* *Ala* *HB* *H* *1.469* *.* *1* old residue 26 adding: *261* *26* *Ala* *C* *C* *180.0* *.* *1* old residue 26 adding: *262* *26* *Ala* *CA* *C* *55.18* *.* *1* old residue 26 adding: *263* *26* *Ala* *CB* *C* *18.20* *.* *1* old residue 26 adding: *264* *26* *Ala* *N* *N* *126.1* *.* *1* new residue 27 adding: *265* *27* *Leu* *H* *H* *8.05* *.* *1* old residue 27 adding: *266* *27* *Leu* *HA* *H* *4.314* *.* *1* old residue 27 adding: *267* *27* *Leu* *HB2* *H* *1.655* *.* *2* old residue 27 adding: *268* *27* *Leu* *HB3* *H* *1.655* *.* *2* old residue 27 adding: *269* *27* *Leu* *HG* *H* *1.664* *.* *1* old residue 27 adding: *270* *27* *Leu* *HD1* *H* *0.442* *.* *2* old residue 27 adding: *271* *27* *Leu* *HD2* *H* *0.825* *.* *2* old residue 27 adding: *272* *27* *Leu* *C* *C* *175.81* *.* *1* old residue 27 adding: *273* *27* *Leu* *CA* *C* *54.307* *.* *1* old residue 27 adding: *274* *27* *Leu* *CB* *C* *42.021* *.* *1* old residue 27 adding: *275* *27* *Leu* *CG* *C* *27.08* *.* *1* old residue 27 adding: *276* *27* *Leu* *CD1* *C* *23.11* *.* *2* old residue 27 adding: *277* *27* *Leu* *CD2* *C* *22.14* *.* *2* old residue 27 adding: *278* *27* *Leu* *N* *N* *114.25* *.* *1* new residue 28 adding: *279* *28* *Lys* *H* *H* *7.766* *.* *1* old residue 28 adding: *280* *28* *Lys* *HA* *H* *3.869* *.* *1* old residue 28 adding: *281* *28* *Lys* *HB2* *H* *2.012* *.* *2* old residue 28 adding: *282* *28* *Lys* *HB3* *H* *1.812* *.* *2* old residue 28 adding: *283* *28* *Lys* *HG2* *H* *1.376* *.* *2* old residue 28 adding: *284* *28* *Lys* *HG3* *H* *1.376* *.* *2* old residue 28 adding: *285* *28* *Lys* *HD2* *H* *1.67* *.* *2* old residue 28 adding: *286* *28* *Lys* *HD3* *H* *1.67* *.* *2* old residue 28 adding: *287* *28* *Lys* *HE2* *H* *3.06* *.* *2* old residue 28 adding: *288* *28* *Lys* *HE3* *H* *3.06* *.* *2* old residue 28 adding: *289* *28* *Lys* *C* *C* *176.03* *.* *1* old residue 28 adding: *290* *28* *Lys* *CA* *C* *56.630* *.* *1* old residue 28 adding: *291* *28* *Lys* *CB* *C* *28.893* *.* *1* old residue 28 adding: *292* *28* *Lys* *CG* *C* *24.8* *.* *1* old residue 28 adding: *293* *28* *Lys* *CD* *C* *29.00* *.* *1* old residue 28 adding: *294* *28* *Lys* *CE* *C* *42.444* *.* *1* old residue 28 adding: *295* *28* *Lys* *N* *N* *117.7* *.* *1* new residue 29 adding: *296* *29* *Val* *H* *H* *7.583* *.* *1* old residue 29 adding: *297* *29* *Val* *HA* *H* *3.520* *.* *1* old residue 29 adding: *298* *29* *Val* *HB* *H* *1.519* *.* *1* old residue 29 adding: *299* *29* *Val* *HG1* *H* *0.461* *.* *1* old residue 29 adding: *300* *29* *Val* *HG2* *H* *0.445* *.* *1* old residue 29 adding: *301* *29* *Val* *C* *C* *176.41* *.* *1* old residue 29 adding: *302* *29* *Val* *CA* *C* *63.741* *.* *1* old residue 29 adding: *303* *29* *Val* *CB* *C* *31.84* *.* *1* old residue 29 adding: *304* *29* *Val* *CG1* *C* *20.52* *.* *1* old residue 29 adding: *305* *29* *Val* *CG2* *C* *23.13* *.* *1* old residue 29 adding: *306* *29* *Val* *N* *N* *119.2* *.* *1* new residue 30 adding: *307* *30* *Ala* *H* *H* *8.543* *.* *1* old residue 30 adding: *308* *30* *Ala* *HA* *H* *4.215* *.* *1* old residue 30 adding: *309* *30* *Ala* *HB* *H* *1.379* *.* *1* old residue 30 adding: *310* *30* *Ala* *C* *C* *177.71* *.* *1* old residue 30 adding: *311* *30* *Ala* *CA* *C* *52.33* *.* *1* old residue 30 adding: *312* *30* *Ala* *CB* *C* *19.17* *.* *1* old residue 30 adding: *313* *30* *Ala* *N* *N* *131.1* *.* *1* new residue 31 adding: *314* *31* *Gln* *H* *H* *8.982* *.* *1* old residue 31 adding: *315* *31* *Gln* *HA* *H* *4.162* *.* *1* old residue 31 adding: *316* *31* *Gln* *HB2* *H* *2.291* *.* *2* old residue 31 adding: *317* *31* *Gln* *HB3* *H* *2.203* *.* *2* old residue 31 adding: *318* *31* *Gln* *HG2* *H* *2.274* *.* *2* old residue 31 adding: *319* *31* *Gln* *HG3* *H* *2.274* *.* *2* old residue 31 adding: *320* *31* *Gln* *HE21* *H* *6.77* *.* *2* old residue 31 adding: *321* *31* *Gln* *HE22* *H* *7.467* *.* *2* old residue 31 adding: *322* *31* *Gln* *C* *C* *176.67* *.* *1* old residue 31 adding: *323* *31* *Gln* *CA* *C* *56.1* *.* *1* old residue 31 adding: *324* *31* *Gln* *CB* *C* *27.39* *.* *1* old residue 31 adding: *325* *31* *Gln* *CG* *C* *34.390* *.* *1* old residue 31 adding: *326* *31* *Gln* *N* *N* *117.3* *.* *1* old residue 31 adding: *327* *31* *Gln* *NE2* *N* *111.5* *.* *1* new residue 32 adding: *328* *32* *Ala* *H* *H* *8.029* *.* *1* old residue 32 adding: *329* *32* *Ala* *HA* *H* *3.738* *.* *1* old residue 32 adding: *330* *32* *Ala* *HB* *H* *1.348* *.* *1* old residue 32 adding: *331* *32* *Ala* *C* *C* *178.7* *.* *1* old residue 32 adding: *332* *32* *Ala* *CA* *C* *55.01* *.* *1* old residue 32 adding: *333* *32* *Ala* *CB* *C* *18.647* *.* *1* old residue 32 adding: *334* *32* *Ala* *N* *N* *119.9* *.* *1* new residue 33 adding: *335* *33* *Glu* *H* *H* *9.338* *.* *1* old residue 33 adding: *336* *33* *Glu* *HA* *H* *4.037* *.* *1* old residue 33 adding: *337* *33* *Glu* *HB2* *H* *1.644* *.* *2* old residue 33 adding: *338* *33* *Glu* *HB3* *H* *1.644* *.* *2* old residue 33 adding: *339* *33* *Glu* *HG2* *H* *1.941* *.* *2* old residue 33 adding: *340* *33* *Glu* *HG3* *H* *1.773* *.* *2* old residue 33 adding: *341* *33* *Glu* *C* *C* *176.37* *.* *1* old residue 33 adding: *342* *33* *Glu* *CA* *C* *58.28* *.* *1* old residue 33 adding: *343* *33* *Glu* *CB* *C* *28.67* *.* *1* old residue 33 adding: *344* *33* *Glu* *CG* *C* *35.81* *.* *1* old residue 33 adding: *345* *33* *Glu* *N* *N* *116.8* *.* *1* new residue 34 adding: *346* *34* *Tyr* *H* *H* *8.063* *.* *1* old residue 34 adding: *347* *34* *Tyr* *HA* *H* *4.82* *.* *1* old residue 34 adding: *348* *34* *Tyr* *HB2* *H* *3.482* *.* *2* old residue 34 adding: *349* *34* *Tyr* *HB3* *H* *2.858* *.* *2* old residue 34 adding: *350* *34* *Tyr* *HD1* *H* *7.067* *.* *2* old residue 34 adding: *351* *34* *Tyr* *HD2* *H* *7.067* *.* *2* old residue 34 adding: *352* *34* *Tyr* *HE1* *H* *6.802* *.* *2* old residue 34 adding: *353* *34* *Tyr* *HE2* *H* *6.802* *.* *2* old residue 34 adding: *354* *34* *Tyr* *C* *C* *175.46* *.* *1* old residue 34 adding: *355* *34* *Tyr* *CA* *C* *56.8* *.* *1* old residue 34 adding: *356* *34* *Tyr* *CB* *C* *39.81* *.* *1* old residue 34 adding: *357* *34* *Tyr* *CD1* *C* *133.0* *.* *2* old residue 34 adding: *358* *34* *Tyr* *CD2* *C* *133.0* *.* *2* old residue 34 adding: *359* *34* *Tyr* *CE1* *C* *117.86* *.* *2* old residue 34 adding: *360* *34* *Tyr* *CE2* *C* *117.86* *.* *2* old residue 34 adding: *361* *34* *Tyr* *N* *N* *116.10* *.* *1* new residue 35 adding: *362* *35* *Val* *H* *H* *7.33* *.* *1* old residue 35 adding: *363* *35* *Val* *HA* *H* *4.689* *.* *1* old residue 35 adding: *364* *35* *Val* *HB* *H* *1.879* *.* *1* old residue 35 adding: *365* *35* *Val* *HG1* *H* *0.625* *.* *2* old residue 35 adding: *366* *35* *Val* *HG2* *H* *0.777* *.* *2* old residue 35 adding: *367* *35* *Val* *C* *C* *173.7* *.* *1* old residue 35 adding: *368* *35* *Val* *CA* *C* *61.55* *.* *1* old residue 35 adding: *369* *35* *Val* *CB* *C* *33.65* *.* *1* old residue 35 adding: *370* *35* *Val* *CG1* *C* *21.01* *.* *2* old residue 35 adding: *371* *35* *Val* *CG2* *C* *22.48* *.* *2* old residue 35 adding: *372* *35* *Val* *N* *N* *121.2* *.* *1* new residue 36 adding: *373* *36* *Thr* *H* *H* *8.879* *.* *1* old residue 36 adding: *374* *36* *Thr* *HA* *H* *4.696* *.* *1* old residue 36 adding: *375* *36* *Thr* *HB* *H* *3.98* *.* *1* old residue 36 adding: *376* *36* *Thr* *HG2* *H* *1.293* *.* *1* old residue 36 adding: *377* *36* *Thr* *C* *C* *172.93* *.* *1* old residue 36 adding: *378* *36* *Thr* *CA* *C* *62.3* *.* *1* old residue 36 adding: *379* *36* *Thr* *CB* *C* *70.5* *.* *1* old residue 36 adding: *380* *36* *Thr* *CG2* *C* *21.78* *.* *1* old residue 36 adding: *381* *36* *Thr* *N* *N* *126.8* *.* *1* new residue 37 adding: *382* *37* *Val* *H* *H* *9.616* *.* *1* old residue 37 adding: *383* *37* *Val* *HA* *H* *5.072* *.* *1* old residue 37 adding: *384* *37* *Val* *HB* *H* *1.613* *.* *1* old residue 37 adding: *385* *37* *Val* *HG1* *H* *0.418* *.* *1* old residue 37 adding: *386* *37* *Val* *HG2* *H* *0.631* *.* *1* old residue 37 adding: *387* *37* *Val* *C* *C* *174.82* *.* *1* old residue 37 adding: *388* *37* *Val* *CA* *C* *59.44* *.* *1* old residue 37 adding: *389* *37* *Val* *CB* *C* *35.270* *.* *1* old residue 37 adding: *390* *37* *Val* *CG1* *C* *21.97* *.* *1* old residue 37 adding: *391* *37* *Val* *CG2* *C* *21.60* *.* *1* old residue 37 adding: *392* *37* *Val* *N* *N* *127.6* *.* *1* new residue 38 adding: *393* *38* *Glu* *H* *H* *8.934* *.* *1* old residue 38 adding: *394* *38* *Glu* *HA* *H* *5.059* *.* *1* old residue 38 adding: *395* *38* *Glu* *HB2* *H* *1.839* *.* *2* old residue 38 adding: *396* *38* *Glu* *HB3* *H* *1.695* *.* *2* old residue 38 adding: *397* *38* *Glu* *HG2* *H* *1.855* *.* *2* old residue 38 adding: *398* *38* *Glu* *HG3* *H* *1.721* *.* *2* old residue 38 adding: *399* *38* *Glu* *C* *C* *174.85* *.* *1* old residue 38 adding: *400* *38* *Glu* *CA* *C* *53.989* *.* *1* old residue 38 adding: *401* *38* *Glu* *CB* *C* *32.599* *.* *1* old residue 38 adding: *402* *38* *Glu* *CG* *C* *36.071* *.* *1* old residue 38 adding: *403* *38* *Glu* *N* *N* *126.7* *.* *1* new residue 39 adding: *404* *39* *Leu* *H* *H* *9.004* *.* *1* old residue 39 adding: *405* *39* *Leu* *HA* *H* *5.082* *.* *1* old residue 39 adding: *406* *39* *Leu* *HB2* *H* *1.943* *.* *2* old residue 39 adding: *407* *39* *Leu* *HB3* *H* *0.9298* *.* *2* old residue 39 adding: *408* *39* *Leu* *HD1* *H* *0.832* *.* *2* old residue 39 adding: *409* *39* *Leu* *HD2* *H* *0.869* *.* *2* old residue 39 adding: *410* *39* *Leu* *C* *C* *175.89* *.* *1* old residue 39 adding: *411* *39* *Leu* *CA* *C* *53.03* *.* *1* old residue 39 adding: *412* *39* *Leu* *CB* *C* *45.64* *.* *1* old residue 39 adding: *413* *39* *Leu* *CD1* *C* *26.94* *.* *2* old residue 39 adding: *414* *39* *Leu* *CD2* *C* *24.07* *.* *2* old residue 39 adding: *415* *39* *Leu* *N* *N* *128.7* *.* *1* new residue 40 adding: *416* *40* *Asn* *H* *H* *10.21* *.* *1* old residue 40 adding: *417* *40* *Asn* *HA* *H* *4.495* *.* *1* old residue 40 adding: *418* *40* *Asn* *HB2* *H* *2.993* *.* *2* old residue 40 adding: *419* *40* *Asn* *HB3* *H* *2.907* *.* *2* old residue 40 adding: *420* *40* *Asn* *HD21* *H* *7.317* *.* *2* old residue 40 adding: *421* *40* *Asn* *HD22* *H* *7.91* *.* *2* old residue 40 adding: *422* *40* *Asn* *C* *C* *175.62* *.* *1* old residue 40 adding: *423* *40* *Asn* *CA* *C* *54.54* *.* *1* old residue 40 adding: *424* *40* *Asn* *CB* *C* *37.28* *.* *1* old residue 40 adding: *425* *40* *Asn* *N* *N* *128.749* *.* *1* old residue 40 adding: *426* *40* *Asn* *ND2* *N* *116.0* *.* *1* new residue 41 adding: *427* *41* *Gly* *H* *H* *8.913* *.* *1* old residue 41 adding: *428* *41* *Gly* *HA2* *H* *4.162* *.* *2* old residue 41 adding: *429* *41* *Gly* *HA3* *H* *3.625* *.* *2* old residue 41 adding: *430* *41* *Gly* *C* *C* *173.38* *.* *1* old residue 41 adding: *431* *41* *Gly* *CA* *C* *45.22* *.* *1* old residue 41 adding: *432* *41* *Gly* *N* *N* *102.811* *.* *1* new residue 42 adding: *433* *42* *Glu* *H* *H* *7.716* *.* *1* old residue 42 adding: *434* *42* *Glu* *HA* *H* *4.655* *.* *1* old residue 42 adding: *435* *42* *Glu* *HB2* *H* *2.066* *.* *2* old residue 42 adding: *436* *42* *Glu* *HB3* *H* *1.906* *.* *2* old residue 42 adding: *437* *42* *Glu* *HG2* *H* *2.277* *.* *2* old residue 42 adding: *438* *42* *Glu* *HG3* *H* *2.104* *.* *2* old residue 42 adding: *439* *42* *Glu* *C* *C* *175.30* *.* *1* old residue 42 adding: *440* *42* *Glu* *CA* *C* *54.190* *.* *1* old residue 42 adding: *441* *42* *Glu* *CB* *C* *31.77* *.* *1* old residue 42 adding: *442* *42* *Glu* *CG* *C* *35.70* *.* *1* old residue 42 adding: *443* *42* *Glu* *N* *N* *120.731* *.* *1* new residue 43 adding: *444* *43* *Val* *H* *H* *8.872* *.* *1* old residue 43 adding: *445* *43* *Val* *HA* *H* *4.025* *.* *1* old residue 43 adding: *446* *43* *Val* *HB* *H* *1.965* *.* *1* old residue 43 adding: *447* *43* *Val* *HG1* *H* *0.885* *.* *2* old residue 43 adding: *448* *43* *Val* *HG2* *H* *0.972* *.* *2* old residue 43 adding: *449* *43* *Val* *C* *C* *176.26* *.* *1* old residue 43 adding: *450* *43* *Val* *CA* *C* *64.11* *.* *1* old residue 43 adding: *451* *43* *Val* *CB* *C* *31.5* *.* *1* old residue 43 adding: *452* *43* *Val* *CG1* *C* *21.63* *.* *2* old residue 43 adding: *453* *43* *Val* *CG2* *C* *22.32* *.* *2* old residue 43 adding: *454* *43* *Val* *N* *N* *126.8* *.* *1* new residue 44 adding: *455* *44* *Leu* *H* *H* *8.81* *.* *1* old residue 44 adding: *456* *44* *Leu* *HA* *H* *4.656* *.* *1* old residue 44 adding: *457* *44* *Leu* *HB2* *H* *2.053* *.* *2* old residue 44 adding: *458* *44* *Leu* *HB3* *H* *1.591* *.* *2* old residue 44 adding: *459* *44* *Leu* *HG* *H* *0.87* *.* *1* old residue 44 adding: *460* *44* *Leu* *HD1* *H* *0.91* *.* *2* old residue 44 adding: *461* *44* *Leu* *HD2* *H* *0.91* *.* *2* old residue 44 adding: *462* *44* *Leu* *C* *C* *177.62* *.* *1* old residue 44 adding: *463* *44* *Leu* *CA* *C* *53.750* *.* *1* old residue 44 adding: *464* *44* *Leu* *CB* *C* *44.08* *.* *1* old residue 44 adding: *465* *44* *Leu* *CG* *C* *27.599* *.* *1* old residue 44 adding: *466* *44* *Leu* *CD1* *C* *22.76* *.* *2* old residue 44 adding: *467* *44* *Leu* *CD2* *C* *22.76* *.* *2* old residue 44 adding: *468* *44* *Leu* *N* *N* *129.2* *.* *1* new residue 45 adding: *469* *45* *Glu* *H* *H* *8.742* *.* *1* old residue 45 adding: *470* *45* *Glu* *HA* *H* *4.465* *.* *1* old residue 45 adding: *471* *45* *Glu* *HB2* *H* *2.208* *.* *2* old residue 45 adding: *472* *45* *Glu* *HB3* *H* *1.89* *.* *2* old residue 45 adding: *473* *45* *Glu* *HG2* *H* *2.409* *.* *2* old residue 45 adding: *474* *45* *Glu* *HG3* *H* *2.332* *.* *2* old residue 45 adding: *475* *45* *Glu* *C* *C* *177.44* *.* *1* old residue 45 adding: *476* *45* *Glu* *CA* *C* *55.27* *.* *1* old residue 45 adding: *477* *45* *Glu* *CB* *C* *29.83* *.* *1* old residue 45 adding: *478* *45* *Glu* *CG* *C* *36.089* *.* *1* old residue 45 adding: *479* *45* *Glu* *N* *N* *122.5* *.* *1* new residue 46 adding: *480* *46* *Arg* *H* *H* *8.674* *.* *1* old residue 46 adding: *481* *46* *Arg* *HA* *H* *2.384* *.* *1* old residue 46 adding: *482* *46* *Arg* *HB2* *H* *1.545* *.* *2* old residue 46 adding: *483* *46* *Arg* *HB3* *H* *1.38* *.* *2* old residue 46 adding: *484* *46* *Arg* *HG2* *H* *1.214* *.* *2* old residue 46 adding: *485* *46* *Arg* *HG3* *H* *1.214* *.* *2* old residue 46 adding: *486* *46* *Arg* *HD2* *H* *2.843* *.* *2* old residue 46 adding: *487* *46* *Arg* *HD3* *H* *2.843* *.* *2* old residue 46 adding: *488* *46* *Arg* *C* *C* *179.08* *.* *1* old residue 46 adding: *489* *46* *Arg* *CA* *C* *58.15* *.* *1* old residue 46 adding: *490* *46* *Arg* *CB* *C* *29.05* *.* *1* old residue 46 adding: *491* *46* *Arg* *CG* *C* *27.01* *.* *1* old residue 46 adding: *492* *46* *Arg* *CD* *C* *42.47* *.* *1* old residue 46 adding: *493* *46* *Arg* *N* *N* *124.6* *.* *1* new residue 47 adding: *494* *47* *Glu* *H* *H* *9.01* *.* *1* old residue 47 adding: *495* *47* *Glu* *HA* *H* *4.008* *.* *1* old residue 47 adding: *496* *47* *Glu* *HB2* *H* *2.018* *.* *2* old residue 47 adding: *497* *47* *Glu* *HB3* *H* *2.018* *.* *2* old residue 47 adding: *498* *47* *Glu* *HG2* *H* *2.356* *.* *2* old residue 47 adding: *499* *47* *Glu* *HG3* *H* *2.238* *.* *2* old residue 47 adding: *500* *47* *Glu* *C* *C* *176.7* *.* *1* old residue 47 adding: *501* *47* *Glu* *CA* *C* *58.72* *.* *1* old residue 47 adding: *502* *47* *Glu* *CB* *C* *28.59* *.* *1* old residue 47 adding: *503* *47* *Glu* *CG* *C* *36.57* *.* *1* old residue 47 adding: *504* *47* *Glu* *N* *N* *117.3* *.* *1* new residue 48 adding: *505* *48* *Ala* *H* *H* *8.011* *.* *1* old residue 48 adding: *506* *48* *Ala* *HA* *H* *4.749* *.* *1* old residue 48 adding: *507* *48* *Ala* *HB* *H* *1.598* *.* *1* old residue 48 adding: *508* *48* *Ala* *C* *C* *180.07* *.* *1* old residue 48 adding: *509* *48* *Ala* *CA* *C* *51.78* *.* *1* old residue 48 adding: *510* *48* *Ala* *CB* *C* *19.390* *.* *1* old residue 48 adding: *511* *48* *Ala* *N* *N* *120.2* *.* *1* new residue 49 adding: *512* *49* *Phe* *H* *H* *8.002* *.* *1* old residue 49 adding: *513* *49* *Phe* *HA* *H* *4.305* *.* *1* old residue 49 adding: *514* *49* *Phe* *HB2* *H* *3.327* *.* *1* old residue 49 adding: *515* *49* *Phe* *HB3* *H* *3.420* *.* *1* old residue 49 adding: *516* *49* *Phe* *HD1* *H* *7.046* *.* *2* old residue 49 adding: *517* *49* *Phe* *HD2* *H* *7.046* *.* *2* old residue 49 adding: *518* *49* *Phe* *HE1* *H* *7.203* *.* *2* old residue 49 adding: *519* *49* *Phe* *HE2* *H* *7.203* *.* *2* old residue 49 adding: *520* *49* *Phe* *C* *C* *177.71* *.* *1* old residue 49 adding: *521* *49* *Phe* *CA* *C* *59.969* *.* *1* old residue 49 adding: *522* *49* *Phe* *CB* *C* *36.82* *.* *1* old residue 49 adding: *523* *49* *Phe* *CD1* *C* *129.618* *.* *2* old residue 49 adding: *524* *49* *Phe* *CD2* *C* *129.618* *.* *2* old residue 49 adding: *525* *49* *Phe* *CE1* *C* *131.501* *.* *2* old residue 49 adding: *526* *49* *Phe* *CE2* *C* *131.501* *.* *2* old residue 49 adding: *527* *49* *Phe* *N* *N* *123.801* *.* *1* new residue 50 adding: *528* *50* *Asp* *H* *H* *8.558* *.* *1* old residue 50 adding: *529* *50* *Asp* *HA* *H* *4.561* *.* *1* old residue 50 adding: *530* *50* *Asp* *HB2* *H* *2.7* *.* *2* old residue 50 adding: *531* *50* *Asp* *HB3* *H* *2.7* *.* *2* old residue 50 adding: *532* *50* *Asp* *C* *C* *176.61* *.* *1* old residue 50 adding: *533* *50* *Asp* *CA* *C* *56.10* *.* *1* old residue 50 adding: *534* *50* *Asp* *CB* *C* *40.35* *.* *1* old residue 50 adding: *535* *50* *Asp* *N* *N* *115.5* *.* *1* new residue 51 adding: *536* *51* *Ala* *H* *H* *7.539* *.* *1* old residue 51 adding: *537* *51* *Ala* *HA* *H* *4.498* *.* *1* old residue 51 adding: *538* *51* *Ala* *HB* *H* *1.475* *.* *1* old residue 51 adding: *539* *51* *Ala* *C* *C* *177.37* *.* *1* old residue 51 adding: *540* *51* *Ala* *CA* *C* *51.85* *.* *1* old residue 51 adding: *541* *51* *Ala* *CB* *C* *20.28* *.* *1* old residue 51 adding: *542* *51* *Ala* *N* *N* *119.5* *.* *1* new residue 52 adding: *543* *52* *Thr* *H* *H* *7.503* *.* *1* old residue 52 adding: *544* *52* *Thr* *HA* *H* *4.376* *.* *1* old residue 52 adding: *545* *52* *Thr* *HB* *H* *4.046* *.* *1* old residue 52 adding: *546* *52* *Thr* *HG2* *H* *1.149* *.* *1* old residue 52 adding: *547* *52* *Thr* *C* *C* *172.78* *.* *1* old residue 52 adding: *548* *52* *Thr* *CA* *C* *63.45* *.* *1* old residue 52 adding: *549* *52* *Thr* *CB* *C* *69.91* *.* *1* old residue 52 adding: *550* *52* *Thr* *CG2* *C* *21.18* *.* *1* old residue 52 adding: *551* *52* *Thr* *N* *N* *117.7* *.* *1* new residue 53 adding: *552* *53* *Thr* *H* *H* *8.354* *.* *1* old residue 53 adding: *553* *53* *Thr* *HA* *H* *4.521* *.* *1* old residue 53 adding: *554* *53* *Thr* *HB* *H* *3.952* *.* *1* old residue 53 adding: *555* *53* *Thr* *HG2* *H* *1.083* *.* *1* old residue 53 adding: *556* *53* *Thr* *C* *C* *173.0* *.* *1* old residue 53 adding: *557* *53* *Thr* *CA* *C* *62.11* *.* *1* old residue 53 adding: *558* *53* *Thr* *CB* *C* *70.38* *.* *1* old residue 53 adding: *559* *53* *Thr* *CG2* *C* *22.27* *.* *1* old residue 53 adding: *560* *53* *Thr* *N* *N* *120.7* *.* *1* new residue 54 adding: *561* *54* *Val* *H* *H* *9.223* *.* *1* old residue 54 adding: *562* *54* *Val* *HA* *H* *4.256* *.* *1* old residue 54 adding: *563* *54* *Val* *HB* *H* *1.88* *.* *1* old residue 54 adding: *564* *54* *Val* *HG1* *H* *0.739* *.* *2* old residue 54 adding: *565* *54* *Val* *HG2* *H* *0.898* *.* *2* old residue 54 adding: *566* *54* *Val* *C* *C* *173.5* *.* *1* old residue 54 adding: *567* *54* *Val* *CA* *C* *61.330* *.* *1* old residue 54 adding: *568* *54* *Val* *CB* *C* *33.09* *.* *1* old residue 54 adding: *569* *54* *Val* *CG1* *C* *21.43* *.* *2* old residue 54 adding: *570* *54* *Val* *CG2* *C* *22.14* *.* *2* old residue 54 adding: *571* *54* *Val* *N* *N* *126.2* *.* *1* new residue 55 adding: *572* *55* *Lys* *H* *H* *9.074* *.* *1* old residue 55 adding: *573* *55* *Lys* *HA* *H* *4.847* *.* *1* old residue 55 adding: *574* *55* *Lys* *HB2* *H* *1.864* *.* *2* old residue 55 adding: *575* *55* *Lys* *HB3* *H* *1.702* *.* *2* old residue 55 adding: *576* *55* *Lys* *HG2* *H* *1.487* *.* *2* old residue 55 adding: *577* *55* *Lys* *HG3* *H* *1.271* *.* *2* old residue 55 adding: *578* *55* *Lys* *HD2* *H* *1.640* *.* *2* old residue 55 adding: *579* *55* *Lys* *HD3* *H* *1.640* *.* *2* old residue 55 adding: *580* *55* *Lys* *HE2* *H* *3.04* *.* *2* old residue 55 adding: *581* *55* *Lys* *HE3* *H* *3.04* *.* *2* old residue 55 adding: *582* *55* *Lys* *C* *C* *174.61* *.* *1* old residue 55 adding: *583* *55* *Lys* *CA* *C* *54.265* *.* *1* old residue 55 adding: *584* *55* *Lys* *CB* *C* *36.111* *.* *1* old residue 55 adding: *585* *55* *Lys* *CG* *C* *23.547* *.* *1* old residue 55 adding: *586* *55* *Lys* *CD* *C* *29.005* *.* *1* old residue 55 adding: *587* *55* *Lys* *CE* *C* *42.297* *.* *1* old residue 55 adding: *588* *55* *Lys* *N* *N* *124.7* *.* *1* new residue 56 adding: *589* *56* *Asp* *H* *H* *8.111* *.* *1* old residue 56 adding: *590* *56* *Asp* *HA* *H* *4.553* *.* *1* old residue 56 adding: *591* *56* *Asp* *HB2* *H* *2.704* *.* *2* old residue 56 adding: *592* *56* *Asp* *HB3* *H* *2.633* *.* *2* old residue 56 adding: *593* *56* *Asp* *C* *C* *177.72* *.* *1* old residue 56 adding: *594* *56* *Asp* *CA* *C* *56.040* *.* *1* old residue 56 adding: *595* *56* *Asp* *CB* *C* *43.07* *.* *1* old residue 56 adding: *596* *56* *Asp* *N* *N* *116.7* *.* *1* new residue 57 adding: *597* *57* *Gly* *H* *H* *9.33* *.* *1* old residue 57 adding: *598* *57* *Gly* *HA2* *H* *4.343* *.* *2* old residue 57 adding: *599* *57* *Gly* *HA3* *H* *3.652* *.* *2* old residue 57 adding: *600* *57* *Gly* *C* *C* *175.14* *.* *1* old residue 57 adding: *601* *57* *Gly* *CA* *C* *44.869* *.* *1* old residue 57 adding: *602* *57* *Gly* *N* *N* *113.9* *.* *1* new residue 58 adding: *603* *58* *Asp* *H* *H* *8.104* *.* *1* old residue 58 adding: *604* *58* *Asp* *HA* *H* *4.808* *.* *1* old residue 58 adding: *605* *58* *Asp* *HB2* *H* *2.912* *.* *2* old residue 58 adding: *606* *58* *Asp* *HB3* *H* *2.349* *.* *2* old residue 58 adding: *607* *58* *Asp* *C* *C* *174.1* *.* *1* old residue 58 adding: *608* *58* *Asp* *CA* *C* *55.7* *.* *1* old residue 58 adding: *609* *58* *Asp* *CB* *C* *42.08* *.* *1* old residue 58 adding: *610* *58* *Asp* *N* *N* *122.6* *.* *1* new residue 59 adding: *611* *59* *Ala* *H* *H* *8.326* *.* *1* old residue 59 adding: *612* *59* *Ala* *HA* *H* *5.208* *.* *1* old residue 59 adding: *613* *59* *Ala* *HB* *H* *1.356* *.* *1* old residue 59 adding: *614* *59* *Ala* *C* *C* *174.35* *.* *1* old residue 59 adding: *615* *59* *Ala* *CA* *C* *50.11* *.* *1* old residue 59 adding: *616* *59* *Ala* *CB* *C* *20.76* *.* *1* old residue 59 adding: *617* *59* *Ala* *N* *N* *121.1* *.* *1* new residue 60 adding: *618* *60* *Val* *H* *H* *9.061* *.* *1* old residue 60 adding: *619* *60* *Val* *HA* *H* *4.117* *.* *1* old residue 60 adding: *620* *60* *Val* *HB* *H* *1.875* *.* *1* old residue 60 adding: *621* *60* *Val* *HG1* *H* *0.7824* *.* *1* old residue 60 adding: *622* *60* *Val* *HG2* *H* *0.558* *.* *1* old residue 60 adding: *623* *60* *Val* *C* *C* *174.3* *.* *1* old residue 60 adding: *624* *60* *Val* *CA* *C* *61.83* *.* *1* old residue 60 adding: *625* *60* *Val* *CB* *C* *33.640* *.* *1* old residue 60 adding: *626* *60* *Val* *CG1* *C* *20.68* *.* *1* old residue 60 adding: *627* *60* *Val* *CG2* *C* *22.59* *.* *1* old residue 60 adding: *628* *60* *Val* *N* *N* *121.8* *.* *1* new residue 61 adding: *629* *61* *Glu* *H* *H* *9.027* *.* *1* old residue 61 adding: *630* *61* *Glu* *HA* *H* *4.778* *.* *1* old residue 61 adding: *631* *61* *Glu* *HB2* *H* *1.733* *.* *2* old residue 61 adding: *632* *61* *Glu* *HB3* *H* *1.969* *.* *2* old residue 61 adding: *633* *61* *Glu* *HG2* *H* *2.02* *.* *2* old residue 61 adding: *634* *61* *Glu* *HG3* *H* *2.196* *.* *2* old residue 61 adding: *635* *61* *Glu* *C* *C* *176.2* *.* *1* old residue 61 adding: *636* *61* *Glu* *CA* *C* *54.152* *.* *1* old residue 61 adding: *637* *61* *Glu* *CB* *C* *32.477* *.* *1* old residue 61 adding: *638* *61* *Glu* *CG* *C* *35.798* *.* *1* old residue 61 adding: *639* *61* *Glu* *N* *N* *123.90* *.* *1* new residue 62 adding: *640* *62* *Phe* *H* *H* *9.075* *.* *1* old residue 62 adding: *641* *62* *Phe* *HA* *H* *5.317* *.* *1* old residue 62 adding: *642* *62* *Phe* *HB2* *H* *2.986* *.* *2* old residue 62 adding: *643* *62* *Phe* *HB3* *H* *2.754* *.* *2* old residue 62 adding: *644* *62* *Phe* *HD1* *H* *7.058* *.* *2* old residue 62 adding: *645* *62* *Phe* *HD2* *H* *7.058* *.* *2* old residue 62 adding: *646* *62* *Phe* *HE1* *H* *6.959* *.* *2* old residue 62 adding: *647* *62* *Phe* *HE2* *H* *6.959* *.* *2* old residue 62 adding: *648* *62* *Phe* *HZ* *H* *6.780* *.* *1* old residue 62 adding: *649* *62* *Phe* *C* *C* *174.49* *.* *1* old residue 62 adding: *650* *62* *Phe* *CA* *C* *54.910* *.* *1* old residue 62 adding: *651* *62* *Phe* *CB* *C* *39.64* *.* *1* old residue 62 adding: *652* *62* *Phe* *CD1* *C* *131.039* *.* *2* old residue 62 adding: *653* *62* *Phe* *CD2* *C* *131.039* *.* *2* old residue 62 adding: *654* *62* *Phe* *CE1* *C* *130.989* *.* *2* old residue 62 adding: *655* *62* *Phe* *CE2* *C* *130.989* *.* *2* old residue 62 adding: *656* *62* *Phe* *CZ* *C* *128.1* *.* *1* old residue 62 adding: *657* *62* *Phe* *N* *N* *122.0* *.* *1* new residue 63 adding: *658* *63* *Leu* *H* *H* *8.996* *.* *1* old residue 63 adding: *659* *63* *Leu* *HA* *H* *4.643* *.* *1* old residue 63 adding: *660* *63* *Leu* *HB2* *H* *1.428* *.* *2* old residue 63 adding: *661* *63* *Leu* *HB3* *H* *1.259* *.* *2* old residue 63 adding: *662* *63* *Leu* *HG* *H* *1.417* *.* *1* old residue 63 adding: *663* *63* *Leu* *HD1* *H* *0.778* *.* *2* old residue 63 adding: *664* *63* *Leu* *HD2* *H* *0.766* *.* *2* old residue 63 adding: *665* *63* *Leu* *C* *C* *175.03* *.* *2* old residue 63 adding: *666* *63* *Leu* *CA* *C* *53.63* *.* *1* old residue 63 adding: *667* *63* *Leu* *CB* *C* *44.68* *.* *1* old residue 63 adding: *668* *63* *Leu* *CG* *C* *27.27* *.* *1* old residue 63 adding: *669* *63* *Leu* *CD1* *C* *25.52* *.* *2* old residue 63 adding: *670* *63* *Leu* *CD2* *C* *23.98* *.* *2* old residue 63 adding: *671* *63* *Leu* *N* *N* *125.00* *.* *1* new residue 64 adding: *672* *64* *Tyr* *H* *H* *8.669* *.* *1* old residue 64 adding: *673* *64* *Tyr* *HA* *H* *4.758* *.* *1* old residue 64 adding: *674* *64* *Tyr* *HB2* *H* *2.884* *.* *2* old residue 64 adding: *675* *64* *Tyr* *HB3* *H* *2.7* *.* *2* old residue 64 adding: *676* *64* *Tyr* *HD1* *H* *7.038* *.* *2* old residue 64 adding: *677* *64* *Tyr* *HD2* *H* *7.038* *.* *2* old residue 64 adding: *678* *64* *Tyr* *HE1* *H* *6.794* *.* *2* old residue 64 adding: *679* *64* *Tyr* *HE2* *H* *6.794* *.* *2* old residue 64 adding: *680* *64* *Tyr* *C* *C* *175.63* *.* *1* old residue 64 adding: *681* *64* *Tyr* *CA* *C* *57.46* *.* *1* old residue 64 adding: *682* *64* *Tyr* *CB* *C* *39.69* *.* *1* old residue 64 adding: *683* *64* *Tyr* *CD1* *C* *133.210* *.* *2* old residue 64 adding: *684* *64* *Tyr* *CD2* *C* *133.210* *.* *2* old residue 64 adding: *685* *64* *Tyr* *CE1* *C* *118.117* *.* *2* old residue 64 adding: *686* *64* *Tyr* *CE2* *C* *118.117* *.* *2* old residue 64 adding: *687* *64* *Tyr* *N* *N* *120.1* *.* *1* new residue 65 adding: *688* *65* *Phe* *H* *H* *8.688* *.* *1* old residue 65 adding: *689* *65* *Phe* *HA* *H* *4.777* *.* *1* old residue 65 adding: *690* *65* *Phe* *HB2* *H* *3.166* *.* *2* old residue 65 adding: *691* *65* *Phe* *HB3* *H* *3.012* *.* *2* old residue 65 adding: *692* *65* *Phe* *HD1* *H* *7.239* *.* *2* old residue 65 adding: *693* *65* *Phe* *HD2* *H* *7.239* *.* *2* old residue 65 adding: *694* *65* *Phe* *HE1* *H* *7.046* *.* *2* old residue 65 adding: *695* *65* *Phe* *HE2* *H* *7.046* *.* *2* old residue 65 adding: *696* *65* *Phe* *HZ* *H* *7.298* *.* *1* old residue 65 adding: *697* *65* *Phe* *C* *C* *175.94* *.* *1* old residue 65 adding: *698* *65* *Phe* *CA* *C* *57.325* *.* *1* old residue 65 adding: *699* *65* *Phe* *CB* *C* *39.34* *.* *1* old residue 65 adding: *700* *65* *Phe* *CD1* *C* *131.587* *.* *2* old residue 65 adding: *701* *65* *Phe* *CD2* *C* *131.587* *.* *2* old residue 65 adding: *702* *65* *Phe* *CE1* *C* *132.978* *.* *2* old residue 65 adding: *703* *65* *Phe* *CE2* *C* *132.978* *.* *2* old residue 65 adding: *704* *65* *Phe* *CZ* *C* *129.9* *.* *1* old residue 65 adding: *705* *65* *Phe* *N* *N* *122.1* *.* *1* new residue 66 adding: *706* *66* *Met* *H* *H* *8.611* *.* *1* old residue 66 adding: *707* *66* *Met* *HA* *H* *4.537* *.* *1* old residue 66 adding: *708* *66* *Met* *HB2* *H* *2.084* *.* *2* old residue 66 adding: *709* *66* *Met* *HB3* *H* *1.943* *.* *2* old residue 66 adding: *710* *66* *Met* *HG2* *H* *2.504* *.* *2* old residue 66 adding: *711* *66* *Met* *HG3* *H* *2.42* *.* *2* old residue 66 adding: *712* *66* *Met* *C* *C* *176.63* *.* *1* old residue 66 adding: *713* *66* *Met* *CA* *C* *55.37* *.* *1* old residue 66 adding: *714* *66* *Met* *CB* *C* *32.71* *.* *1* old residue 66 adding: *715* *66* *Met* *CG* *C* *32.13* *.* *1* old residue 66 adding: *716* *66* *Met* *N* *N* *121.7* *.* *1* new residue 67 adding: *717* *67* *Gly* *H* *H* *8.213* *.* *1* old residue 67 adding: *718* *67* *Gly* *HA2* *H* *3.928* *.* *2* old residue 67 adding: *719* *67* *Gly* *HA3* *H* *3.928* *.* *2* old residue 67 adding: *720* *67* *Gly* *C* *C* *174.80* *.* *1* old residue 67 adding: *721* *67* *Gly* *CA* *C* *45.359* *.* *1* old residue 67 adding: *722* *67* *Gly* *N* *N* *109.6* *.* *1* new residue 68 adding: *723* *68* *Gly* *H* *H* *8.353* *.* *1* old residue 68 adding: *724* *68* *Gly* *HA2* *H* *4.862* *.* *2* old residue 68 adding: *725* *68* *Gly* *HA3* *H* *4.861* *.* *2* old residue 68 adding: *726* *68* *Gly* *C* *C* *174.76* *.* *1* old residue 68 adding: *727* *68* *Gly* *CA* *C* *45.402* *.* *1* old residue 68 adding: *728* *68* *Gly* *N* *N* *108.6* *.* *1* new residue 69 adding: *729* *69* *Gly* *H* *H* *8.406* *.* *1* old residue 69 adding: *730* *69* *Gly* *HA2* *H* *3.953* *.* *2* old residue 69 adding: *731* *69* *Gly* *HA3* *H* *3.953* *.* *2* old residue 69 adding: *732* *69* *Gly* *C* *C* *174.07* *.* *1* old residue 69 adding: *733* *69* *Gly* *CA* *C* *45.242* *.* *1* old residue 69 adding: *734* *69* *Gly* *N* *N* *109.1* *.* *1* new residue 70 adding: *735* *70* *Lys* *H* *H* *8.153* *.* *1* old residue 70 adding: *736* *70* *Lys* *HA* *H* *4.255* *.* *1* old residue 70 adding: *737* *70* *Lys* *HB2* *H* *1.794* *.* *2* old residue 70 adding: *738* *70* *Lys* *HB3* *H* *1.703* *.* *2* old residue 70 adding: *739* *70* *Lys* *HG2* *H* *1.383* *.* *2* old residue 70 adding: *740* *70* *Lys* *HG3* *H* *1.383* *.* *2* old residue 70 adding: *741* *70* *Lys* *HD2* *H* *1.652* *.* *2* old residue 70 adding: *742* *70* *Lys* *HD3* *H* *1.652* *.* *2* old residue 70 adding: *743* *70* *Lys* *HE2* *H* *2.99* *.* *2* old residue 70 adding: *744* *70* *Lys* *HE3* *H* *2.99* *.* *2* old residue 70 adding: *745* *70* *Lys* *C* *C* *176.49* *.* *1* old residue 70 adding: *746* *70* *Lys* *CA* *C* *56.37* *.* *1* old residue 70 adding: *747* *70* *Lys* *CB* *C* *33.13* *.* *1* old residue 70 adding: *748* *70* *Lys* *CG* *C* *24.78* *.* *1* old residue 70 adding: *749* *70* *Lys* *CD* *C* *29.150* *.* *1* old residue 70 adding: *750* *70* *Lys* *CE* *C* *42.238* *.* *1* old residue 70 adding: *751* *70* *Lys* *N* *N* *120.5* *.* *1* new residue 71 adding: *752* *71* *Leu* *H* *H* *8.253* *.* *1* old residue 71 adding: *753* *71* *Leu* *HA* *H* *4.285* *.* *1* old residue 71 adding: *754* *71* *Leu* *HB2* *H* *1.534* *.* *2* old residue 71 adding: *755* *71* *Leu* *HB3* *H* *1.45* *.* *2* old residue 71 adding: *756* *71* *Leu* *HG* *H* *1.51* *.* *1* old residue 71 adding: *757* *71* *Leu* *HD1* *H* *0.813* *.* *2* old residue 71 adding: *758* *71* *Leu* *HD2* *H* *0.761* *.* *2* old residue 71 adding: *759* *71* *Leu* *C* *C* *177.11* *.* *1* old residue 71 adding: *760* *71* *Leu* *CA* *C* *55.12* *.* *1* old residue 71 adding: *761* *71* *Leu* *CB* *C* *42.236* *.* *1* old residue 71 adding: *762* *71* *Leu* *CG* *C* *26.96* *.* *1* old residue 71 adding: *763* *71* *Leu* *CD1* *C* *24.890* *.* *2* old residue 71 adding: *764* *71* *Leu* *CD2* *C* *23.59* *.* *2* old residue 71 adding: *765* *71* *Leu* *N* *N* *122.905* *.* *1* new residue 72 adding: *766* *72* *Glu* *H* *H* *8.343* *.* *1* old residue 72 adding: *767* *72* *Glu* *HA* *H* *4.238* *.* *1* old residue 72 adding: *768* *72* *Glu* *HB2* *H* *1.920* *.* *2* old residue 72 adding: *769* *72* *Glu* *HB3* *H* *1.840* *.* *2* old residue 72 adding: *770* *72* *Glu* *HG2* *H* *2.18* *.* *2* old residue 72 adding: *771* *72* *Glu* *HG3* *H* *2.14* *.* *2* old residue 72 adding: *772* *72* *Glu* *C* *C* *176.1* *.* *1* old residue 72 adding: *773* *72* *Glu* *CA* *C* *56.76* *.* *1* old residue 72 adding: *774* *72* *Glu* *CB* *C* *30.619* *.* *1* old residue 72 adding: *775* *72* *Glu* *CG* *C* *36.12* *.* *1* old residue 72 adding: *776* *72* *Glu* *N* *N* *121.50* *.* *1* new residue 73 adding: *777* *73* *His* *H* *H* *8.404* *.* *1* old residue 73 adding: *778* *73* *His* *HA* *H* *4.593* *.* *1* old residue 73 adding: *779* *73* *His* *HB2* *H* *3.003* *.* *2* old residue 73 adding: *780* *73* *His* *HB3* *H* *3.076* *.* *2* old residue 73 adding: *781* *73* *His* *C* *C* *173.84* *.* *1* old residue 73 adding: *782* *73* *His* *CA* *C* *55.777* *.* *1* old residue 73 adding: *783* *73* *His* *CB* *C* *30.08* *.* *1* old residue 73 adding: *784* *73* *His* *N* *N* *119.733* *.* *1* new residue 74 adding: *785* *74* *His* *H* *H* *8.213* *.* *1* old residue 74 adding: *786* *74* *His* *CA* *C* *57.175* *.* *1* old residue 74 adding: *787* *74* *His* *CB* *C* *30.671* *.* *1* old residue 74 adding: *788* *74* *His* *N* *N* *125.387* *.* *1* seqcode size is : 74 seqcode: 33 shift counts are : 11 seqcode: 32 shift counts are : 7 seqcode: 63 shift counts are : 14 seqcode: 21 shift counts are : 9 seqcode: 71 shift counts are : 14 seqcode: 7 shift counts are : 6 seqcode: 26 shift counts are : 7 seqcode: 18 shift counts are : 14 seqcode: 72 shift counts are : 11 seqcode: 16 shift counts are : 11 seqcode: 44 shift counts are : 14 seqcode: 55 shift counts are : 17 seqcode: 74 shift counts are : 4 seqcode: 27 shift counts are : 14 seqcode: 57 shift counts are : 6 seqcode: 61 shift counts are : 11 seqcode: 20 shift counts are : 11 seqcode: 10 shift counts are : 8 seqcode: 31 shift counts are : 14 seqcode: 35 shift counts are : 11 seqcode: 11 shift counts are : 9 seqcode: 48 shift counts are : 7 seqcode: 65 shift counts are : 18 seqcode: 29 shift counts are : 11 seqcode: 50 shift counts are : 8 seqcode: 39 shift counts are : 12 seqcode: 64 shift counts are : 16 seqcode: 58 shift counts are : 8 seqcode: 41 shift counts are : 6 seqcode: 12 shift counts are : 11 seqcode: 15 shift counts are : 7 seqcode: 52 shift counts are : 9 seqcode: 60 shift counts are : 11 seqcode: 56 shift counts are : 8 seqcode: 66 shift counts are : 11 seqcode: 45 shift counts are : 11 seqcode: 73 shift counts are : 8 seqcode: 19 shift counts are : 11 seqcode: 62 shift counts are : 18 seqcode: 54 shift counts are : 11 seqcode: 67 shift counts are : 6 seqcode: 70 shift counts are : 17 seqcode: 68 shift counts are : 6 seqcode: 2 shift counts are : 10 seqcode: 17 shift counts are : 8 seqcode: 1 shift counts are : 8 seqcode: 30 shift counts are : 7 seqcode: 25 shift counts are : 8 seqcode: 28 shift counts are : 17 seqcode: 40 shift counts are : 11 seqcode: 14 shift counts are : 6 seqcode: 69 shift counts are : 6 seqcode: 59 shift counts are : 7 seqcode: 49 shift counts are : 16 seqcode: 24 shift counts are : 14 seqcode: 53 shift counts are : 9 seqcode: 22 shift counts are : 11 seqcode: 42 shift counts are : 11 seqcode: 46 shift counts are : 14 seqcode: 23 shift counts are : 14 seqcode: 13 shift counts are : 8 seqcode: 6 shift counts are : 11 seqcode: 3 shift counts are : 14 seqcode: 36 shift counts are : 9 seqcode: 9 shift counts are : 12 seqcode: 51 shift counts are : 7 seqcode: 47 shift counts are : 11 seqcode: 8 shift counts are : 16 seqcode: 38 shift counts are : 11 seqcode: 4 shift counts are : 9 seqcode: 34 shift counts are : 16 seqcode: 37 shift counts are : 11 seqcode: 43 shift counts are : 11 seqcode: 5 shift counts are : 11 setting ambig code at 670 for HD2 to 2 setting ambig code at 669 for HD1 to 2 setting ambig code at 764 for HD2 to 2 setting ambig code at 763 for HD1 to 2 setting ambig code at 178 for HD2 to 2 setting ambig code at 177 for HD1 to 2 setting ambig code at 467 for HD2 to 2 setting ambig code at 466 for HD1 to 2 setting ambig code at 277 for HD2 to 2 setting ambig code at 276 for HD1 to 2 setting ambig code at 200 for HG2 to 2 setting ambig code at 199 for HG1 to 2 setting ambig code at 371 for HG2 to 2 setting ambig code at 370 for HG1 to 2 setting ambig code at 305 for HG2 to 2 setting ambig code at 304 for HG1 to 2 setting ambig code at 414 for HD2 to 2 setting ambig code at 413 for HD1 to 2 setting ambig code at 124 for HG2 to 2 setting ambig code at 123 for HG1 to 2 setting ambig code at 627 for HG2 to 2 setting ambig code at 626 for HG1 to 2 setting ambig code at 570 for HG2 to 2 setting ambig code at 569 for HG1 to 2 setting ambig code at 248 for HD2 to 2 setting ambig code at 247 for HD1 to 2 setting ambig code at 234 for HD2 to 2 setting ambig code at 233 for HD1 to 2 setting ambig code at 31 for HD2 to 2 setting ambig code at 30 for HD1 to 2 setting ambig code at 391 for HG2 to 2 setting ambig code at 390 for HG1 to 2 setting ambig code at 453 for HG2 to 2 setting ambig code at 452 for HG1 to 2 setting ambig code at 51 for HG2 to 2 setting ambig code at 50 for HG1 to 2 1 1 MET HA H 4.344 . 1 2 1 MET HB2 H 2.273 . 2 3 1 MET HB3 H 2.074 . 2 4 1 MET HG2 H 2.203 . 2 5 1 MET HG3 H 2.347 . 2 6 1 MET CA C 55.19 . 1 7 1 MET CB C 33.84 . 1 8 1 MET CG C 30.15 . 1 9 2 ASN H H 9.6450 . 1 10 2 ASN HA H 5.43 . 1 11 2 ASN HB2 H 2.863 . 2 12 2 ASN HB3 H 2.863 . 2 13 2 ASN HD21 H 6.936 . 2 14 2 ASN HD22 H 7.945 . 2 15 2 ASN CA C 52.761 . 1 16 2 ASN CB C 40.14 . 1 17 2 ASN N N 125.3 . 1 18 2 ASN ND2 N 115.6 . 1 19 3 LEU H H 8.769 . 1 20 3 LEU HA H 4.949 . 1 21 3 LEU HB2 H 1.611 . 2 22 3 LEU HB3 H 1.409 . 2 23 3 LEU HG H 1.279 . 1 24 3 LEU HD1 H 0.755 . 2 25 3 LEU HD2 H 0.609 . 2 26 3 LEU C C 176.32 . 1 27 3 LEU CA C 54.223 . 1 28 3 LEU CB C 45.941 . 1 29 3 LEU CG C 27.53 . 1 30 3 LEU CD1 C 25.026 . 2 31 3 LEU CD2 C 27.523 . 2 32 3 LEU N N 121.8 . 1 33 4 THR H H 8.329 . 1 34 4 THR HA H 4.744 . 1 35 4 THR HB H 3.791 . 1 36 4 THR HG2 H 0.975 . 1 37 4 THR C C 173.65 . 1 38 4 THR CA C 62.15 . 1 39 4 THR CB C 69.43 . 1 40 4 THR CG2 C 21.47 . 1 41 4 THR N N 116.2 . 1 42 5 VAL H H 8.955 . 1 43 5 VAL HA H 4.683 . 1 44 5 VAL HB H 1.952 . 1 45 5 VAL HG1 H 0.719 . 2 46 5 VAL HG2 H 0.719 . 2 47 5 VAL C C 176.47 . 1 48 5 VAL CA C 60.724 . 1 49 5 VAL CB C 33.59 . 1 50 5 VAL CG1 C 21.18 . 2 51 5 VAL CG2 C 21.18 . 2 52 5 VAL N N 126.0 . 1 53 6 ASN H H 9.534 . 1 54 6 ASN HA H 4.636 . 1 55 6 ASN HB2 H 3.08 . 2 56 6 ASN HB3 H 2.924 . 2 57 6 ASN HD21 H 6.43 . 2 58 6 ASN HD22 H 7.67 . 2 59 6 ASN C C 175.9 . 1 60 6 ASN CA C 54.15 . 1 61 6 ASN CB C 36.41 . 1 62 6 ASN N N 129.4 . 1 63 6 ASN ND2 N 109.7 . 1 64 7 GLY H H 8.915 . 1 65 7 GLY HA2 H 4.170 . 2 66 7 GLY HA3 H 3.485 . 2 67 7 GLY C C 173.95 . 1 68 7 GLY CA C 45.337 . 1 69 7 GLY N N 102.2 . 1 70 8 LYS H H 7.9 . 1 71 8 LYS HA H 4.987 . 1 72 8 LYS HB2 H 1.912 . 2 73 8 LYS HB3 H 1.812 . 2 74 8 LYS HG2 H 1.516 . 2 75 8 LYS HG3 H 1.437 . 2 76 8 LYS HD2 H 1.753 . 2 77 8 LYS HD3 H 1.753 . 2 78 8 LYS HE2 H 2.83 . 2 79 8 LYS HE3 H 2.83 . 2 80 8 LYS CA C 52.94 . 1 81 8 LYS CB C 34.01 . 1 82 8 LYS CG C 24.5 . 1 83 8 LYS CD C 29.07 . 1 84 8 LYS CE C 42.39 . 1 85 8 LYS N N 121.7 . 1 86 9 PRO HA H 4.7 . 1 87 9 PRO HB2 H 2.371 . 2 88 9 PRO HB3 H 1.972 . 2 89 9 PRO HG2 H 2.027 . 2 90 9 PRO HG3 H 2.181 . 2 91 9 PRO HD2 H 3.997 . 2 92 9 PRO HD3 H 3.725 . 2 93 9 PRO C C 176.90 . 1 94 9 PRO CA C 63.99 . 1 95 9 PRO CB C 32 . 1 96 9 PRO CG C 27.72 . 1 97 9 PRO CD C 51.19 . 1 98 10 SER H H 8.97 . 1 99 10 SER HA H 4.822 . 1 100 10 SER HB2 H 3.554 . 2 101 10 SER HB3 H 3.554 . 2 102 10 SER C C 172.80 . 1 103 10 SER CA C 57.88 . 1 104 10 SER CB C 66.361 . 1 105 10 SER N N 120.3 . 1 106 11 THR H H 8.59 . 1 107 11 THR HA H 5.163 . 1 108 11 THR HB H 3.904 . 1 109 11 THR HG2 H 1.148 . 1 110 11 THR C C 173.72 . 1 111 11 THR CA C 61.38 . 1 112 11 THR CB C 71.95 . 1 113 11 THR CG2 C 21.579 . 1 114 11 THR N N 120.191 . 1 115 12 VAL H H 8.563 . 1 116 12 VAL HA H 4.172 . 1 117 12 VAL HB H 1.814 . 1 118 12 VAL HG1 H 0.792 . 2 119 12 VAL HG2 H 0.695 . 2 120 12 VAL C C 175.38 . 1 121 12 VAL CA C 61.35 . 1 122 12 VAL CB C 33.053 . 1 123 12 VAL CG1 C 21.346 . 2 124 12 VAL CG2 C 20.36 . 2 125 12 VAL N N 125.0 . 1 126 13 ASP H H 8.878 . 1 127 13 ASP HA H 4.501 . 1 128 13 ASP HB2 H 2.612 . 2 129 13 ASP HB3 H 2.513 . 2 130 13 ASP C C 177.18 . 1 131 13 ASP CA C 55.12 . 1 132 13 ASP CB C 41.45 . 1 133 13 ASP N N 128.3 . 1 134 14 GLY H H 8.697 . 1 135 14 GLY HA2 H 4.076 . 2 136 14 GLY HA3 H 3.719 . 2 137 14 GLY C C 173.244 . 1 138 14 GLY CA C 45.887 . 1 139 14 GLY N N 109.9 . 1 140 15 ALA H H 7.36 . 1 141 15 ALA HA H 4.601 . 1 142 15 ALA HB H 1.258 . 1 143 15 ALA C C 176.24 . 1 144 15 ALA CA C 51.37 . 1 145 15 ALA CB C 20.97 . 1 146 15 ALA N N 121.213 . 1 147 16 GLU H H 8.967 . 1 148 16 GLU HA H 4.406 . 1 149 16 GLU HB2 H 2.165 . 2 150 16 GLU HB3 H 1.974 . 2 151 16 GLU HG2 H 2.34 . 2 152 16 GLU HG3 H 2.277 . 2 153 16 GLU C C 175.8 . 1 154 16 GLU CA C 57.17 . 1 155 16 GLU CB C 30.70 . 1 156 16 GLU CG C 36.31 . 1 157 16 GLU N N 120.8 . 1 158 17 SER H H 7.587 . 1 159 17 SER HA H 4.891 . 1 160 17 SER HB2 H 3.811 . 2 161 17 SER HB3 H 3.811 . 2 162 17 SER C C 172.4 . 1 163 17 SER CA C 57.797 . 1 164 17 SER CB C 64.571 . 1 165 17 SER N N 111.6 . 1 166 18 LEU H H 8.285 . 1 167 18 LEU HA H 4.810 . 1 168 18 LEU HB2 H 1.793 . 2 169 18 LEU HB3 H 1.302 . 2 170 18 LEU HG H 1.446 . 1 171 18 LEU HD1 H 0.860 . 2 172 18 LEU HD2 H 0.656 . 2 173 18 LEU C C 175.8 . 1 174 18 LEU CA C 54.23 . 1 175 18 LEU CB C 47.43 . 1 176 18 LEU CG C 26.73 . 1 177 18 LEU CD1 C 23.86 . 2 178 18 LEU CD2 C 26.51 . 2 179 18 LEU N N 122.165 . 1 180 19 ASN H H 8.92 . 1 181 19 ASN HA H 5.768 . 1 182 19 ASN HB2 H 3.426 . 2 183 19 ASN HB3 H 2.706 . 2 184 19 ASN HD21 H 7.16 . 2 185 19 ASN HD22 H 7.38 . 2 186 19 ASN C C 176.17 . 1 187 19 ASN CA C 51.65 . 1 188 19 ASN CB C 38.43 . 1 189 19 ASN N N 118.7 . 1 190 19 ASN ND2 N 112.1 . 1 191 20 VAL H H 7.805 . 1 192 20 VAL HA H 3.297 . 1 193 20 VAL HB H 1.926 . 1 194 20 VAL HG1 H 0.734 . 2 195 20 VAL HG2 H -0.013 . 2 196 20 VAL C C 176.77 . 1 197 20 VAL CA C 67.36 . 1 198 20 VAL CB C 30.94 . 1 199 20 VAL CG1 C 23.28 . 2 200 20 VAL CG2 C 21.14 . 2 201 20 VAL N N 117.90 . 1 202 21 THR H H 7.23 . 1 203 21 THR HA H 3.665 . 1 204 21 THR HB H 4.357 . 1 205 21 THR HG2 H 1.26 . 1 206 21 THR C C 177.36 . 1 207 21 THR CA C 67.077 . 1 208 21 THR CB C 68.46 . 1 209 21 THR CG2 C 22.79 . 1 210 21 THR N N 117.4 . 1 211 22 GLU H H 8.75 . 1 212 22 GLU HA H 4.046 . 1 213 22 GLU HB2 H 2.335 . 2 214 22 GLU HB3 H 1.938 . 2 215 22 GLU HG2 H 2.24 . 2 216 22 GLU HG3 H 2.563 . 2 217 22 GLU C C 179.91 . 1 218 22 GLU CA C 58.55 . 1 219 22 GLU CB C 30.55 . 1 220 22 GLU CG C 36.65 . 1 221 22 GLU N N 121.238 . 1 222 23 LEU H H 8.766 . 1 223 23 LEU HA H 3.935 . 1 224 23 LEU HB2 H 2.204 . 2 225 23 LEU HB3 H 1.361 . 2 226 23 LEU HG H 1.621 . 1 227 23 LEU HD1 H 0.875 . 2 228 23 LEU HD2 H 0.779 . 2 229 23 LEU C C 177.8 . 1 230 23 LEU CA C 58.24 . 1 231 23 LEU CB C 41.844 . 1 232 23 LEU CG C 26.83 . 1 233 23 LEU CD1 C 26.82 . 2 234 23 LEU CD2 C 24.24 . 2 235 23 LEU N N 123.9 . 1 236 24 LEU H H 8.305 . 1 237 24 LEU HA H 3.69 . 1 238 24 LEU HB2 H 2.019 . 2 239 24 LEU HB3 H 1.17 . 2 240 24 LEU HG H 1.864 . 1 241 24 LEU HD1 H 0.413 . 2 242 24 LEU HD2 H 0.785 . 2 243 24 LEU C C 179.62 . 1 244 24 LEU CA C 58.01 . 1 245 24 LEU CB C 41.320 . 1 246 24 LEU CG C 26.61 . 1 247 24 LEU CD1 C 23.577 . 2 248 24 LEU CD2 C 26.07 . 2 249 24 LEU N N 117.1 . 1 250 25 SER H H 7.226 . 1 251 25 SER HA H 4.304 . 1 252 25 SER HB2 H 3.949 . 2 253 25 SER HB3 H 3.949 . 2 254 25 SER C C 178.1 . 1 255 25 SER CA C 60.9 . 1 256 25 SER CB C 62.85 . 1 257 25 SER N N 111.5 . 1 258 26 ALA H H 8.712 . 1 259 26 ALA HA H 4.138 . 1 260 26 ALA HB H 1.469 . 1 261 26 ALA C C 180.0 . 1 262 26 ALA CA C 55.18 . 1 263 26 ALA CB C 18.20 . 1 264 26 ALA N N 126.1 . 1 265 27 LEU H H 8.05 . 1 266 27 LEU HA H 4.314 . 1 267 27 LEU HB2 H 1.655 . 2 268 27 LEU HB3 H 1.655 . 2 269 27 LEU HG H 1.664 . 1 270 27 LEU HD1 H 0.442 . 2 271 27 LEU HD2 H 0.825 . 2 272 27 LEU C C 175.81 . 1 273 27 LEU CA C 54.307 . 1 274 27 LEU CB C 42.021 . 1 275 27 LEU CG C 27.08 . 1 276 27 LEU CD1 C 23.11 . 2 277 27 LEU CD2 C 22.14 . 2 278 27 LEU N N 114.25 . 1 279 28 LYS H H 7.766 . 1 280 28 LYS HA H 3.869 . 1 281 28 LYS HB2 H 2.012 . 2 282 28 LYS HB3 H 1.812 . 2 283 28 LYS HG2 H 1.376 . 2 284 28 LYS HG3 H 1.376 . 2 285 28 LYS HD2 H 1.67 . 2 286 28 LYS HD3 H 1.67 . 2 287 28 LYS HE2 H 3.06 . 2 288 28 LYS HE3 H 3.06 . 2 289 28 LYS C C 176.03 . 1 290 28 LYS CA C 56.630 . 1 291 28 LYS CB C 28.893 . 1 292 28 LYS CG C 24.8 . 1 293 28 LYS CD C 29.00 . 1 294 28 LYS CE C 42.444 . 1 295 28 LYS N N 117.7 . 1 296 29 VAL H H 7.583 . 1 297 29 VAL HA H 3.520 . 1 298 29 VAL HB H 1.519 . 1 299 29 VAL HG1 H 0.461 . 2 300 29 VAL HG2 H 0.445 . 2 301 29 VAL C C 176.41 . 1 302 29 VAL CA C 63.741 . 1 303 29 VAL CB C 31.84 . 1 304 29 VAL CG1 C 20.52 . 2 305 29 VAL CG2 C 23.13 . 2 306 29 VAL N N 119.2 . 1 307 30 ALA H H 8.543 . 1 308 30 ALA HA H 4.215 . 1 309 30 ALA HB H 1.379 . 1 310 30 ALA C C 177.71 . 1 311 30 ALA CA C 52.33 . 1 312 30 ALA CB C 19.17 . 1 313 30 ALA N N 131.1 . 1 314 31 GLN H H 8.982 . 1 315 31 GLN HA H 4.162 . 1 316 31 GLN HB2 H 2.291 . 2 317 31 GLN HB3 H 2.203 . 2 318 31 GLN HG2 H 2.274 . 2 319 31 GLN HG3 H 2.274 . 2 320 31 GLN HE21 H 6.77 . 2 321 31 GLN HE22 H 7.467 . 2 322 31 GLN C C 176.67 . 1 323 31 GLN CA C 56.1 . 1 324 31 GLN CB C 27.39 . 1 325 31 GLN CG C 34.390 . 1 326 31 GLN N N 117.3 . 1 327 31 GLN NE2 N 111.5 . 1 328 32 ALA H H 8.029 . 1 329 32 ALA HA H 3.738 . 1 330 32 ALA HB H 1.348 . 1 331 32 ALA C C 178.7 . 1 332 32 ALA CA C 55.01 . 1 333 32 ALA CB C 18.647 . 1 334 32 ALA N N 119.9 . 1 335 33 GLU H H 9.338 . 1 336 33 GLU HA H 4.037 . 1 337 33 GLU HB2 H 1.644 . 2 338 33 GLU HB3 H 1.644 . 2 339 33 GLU HG2 H 1.941 . 2 340 33 GLU HG3 H 1.773 . 2 341 33 GLU C C 176.37 . 1 342 33 GLU CA C 58.28 . 1 343 33 GLU CB C 28.67 . 1 344 33 GLU CG C 35.81 . 1 345 33 GLU N N 116.8 . 1 346 34 TYR H H 8.063 . 1 347 34 TYR HA H 4.82 . 1 348 34 TYR HB2 H 3.482 . 2 349 34 TYR HB3 H 2.858 . 2 350 34 TYR HD1 H 7.067 . 2 351 34 TYR HD2 H 7.067 . 2 352 34 TYR HE1 H 6.802 . 2 353 34 TYR HE2 H 6.802 . 2 354 34 TYR C C 175.46 . 1 355 34 TYR CA C 56.8 . 1 356 34 TYR CB C 39.81 . 1 357 34 TYR CD1 C 133.0 . 2 358 34 TYR CD2 C 133.0 . 2 359 34 TYR CE1 C 117.86 . 2 360 34 TYR CE2 C 117.86 . 2 361 34 TYR N N 116.10 . 1 362 35 VAL H H 7.33 . 1 363 35 VAL HA H 4.689 . 1 364 35 VAL HB H 1.879 . 1 365 35 VAL HG1 H 0.625 . 2 366 35 VAL HG2 H 0.777 . 2 367 35 VAL C C 173.7 . 1 368 35 VAL CA C 61.55 . 1 369 35 VAL CB C 33.65 . 1 370 35 VAL CG1 C 21.01 . 2 371 35 VAL CG2 C 22.48 . 2 372 35 VAL N N 121.2 . 1 373 36 THR H H 8.879 . 1 374 36 THR HA H 4.696 . 1 375 36 THR HB H 3.98 . 1 376 36 THR HG2 H 1.293 . 1 377 36 THR C C 172.93 . 1 378 36 THR CA C 62.3 . 1 379 36 THR CB C 70.5 . 1 380 36 THR CG2 C 21.78 . 1 381 36 THR N N 126.8 . 1 382 37 VAL H H 9.616 . 1 383 37 VAL HA H 5.072 . 1 384 37 VAL HB H 1.613 . 1 385 37 VAL HG1 H 0.418 . 2 386 37 VAL HG2 H 0.631 . 2 387 37 VAL C C 174.82 . 1 388 37 VAL CA C 59.44 . 1 389 37 VAL CB C 35.270 . 1 390 37 VAL CG1 C 21.97 . 2 391 37 VAL CG2 C 21.60 . 2 392 37 VAL N N 127.6 . 1 393 38 GLU H H 8.934 . 1 394 38 GLU HA H 5.059 . 1 395 38 GLU HB2 H 1.839 . 2 396 38 GLU HB3 H 1.695 . 2 397 38 GLU HG2 H 1.855 . 2 398 38 GLU HG3 H 1.721 . 2 399 38 GLU C C 174.85 . 1 400 38 GLU CA C 53.989 . 1 401 38 GLU CB C 32.599 . 1 402 38 GLU CG C 36.071 . 1 403 38 GLU N N 126.7 . 1 404 39 LEU H H 9.004 . 1 405 39 LEU HA H 5.082 . 1 406 39 LEU HB2 H 1.943 . 2 407 39 LEU HB3 H 0.9298 . 2 408 39 LEU HD1 H 0.832 . 2 409 39 LEU HD2 H 0.869 . 2 410 39 LEU C C 175.89 . 1 411 39 LEU CA C 53.03 . 1 412 39 LEU CB C 45.64 . 1 413 39 LEU CD1 C 26.94 . 2 414 39 LEU CD2 C 24.07 . 2 415 39 LEU N N 128.7 . 1 416 40 ASN H H 10.21 . 1 417 40 ASN HA H 4.495 . 1 418 40 ASN HB2 H 2.993 . 2 419 40 ASN HB3 H 2.907 . 2 420 40 ASN HD21 H 7.317 . 2 421 40 ASN HD22 H 7.91 . 2 422 40 ASN C C 175.62 . 1 423 40 ASN CA C 54.54 . 1 424 40 ASN CB C 37.28 . 1 425 40 ASN N N 128.749 . 1 426 40 ASN ND2 N 116.0 . 1 427 41 GLY H H 8.913 . 1 428 41 GLY HA2 H 4.162 . 2 429 41 GLY HA3 H 3.625 . 2 430 41 GLY C C 173.38 . 1 431 41 GLY CA C 45.22 . 1 432 41 GLY N N 102.811 . 1 433 42 GLU H H 7.716 . 1 434 42 GLU HA H 4.655 . 1 435 42 GLU HB2 H 2.066 . 2 436 42 GLU HB3 H 1.906 . 2 437 42 GLU HG2 H 2.277 . 2 438 42 GLU HG3 H 2.104 . 2 439 42 GLU C C 175.30 . 1 440 42 GLU CA C 54.190 . 1 441 42 GLU CB C 31.77 . 1 442 42 GLU CG C 35.70 . 1 443 42 GLU N N 120.731 . 1 444 43 VAL H H 8.872 . 1 445 43 VAL HA H 4.025 . 1 446 43 VAL HB H 1.965 . 1 447 43 VAL HG1 H 0.885 . 2 448 43 VAL HG2 H 0.972 . 2 449 43 VAL C C 176.26 . 1 450 43 VAL CA C 64.11 . 1 451 43 VAL CB C 31.5 . 1 452 43 VAL CG1 C 21.63 . 2 453 43 VAL CG2 C 22.32 . 2 454 43 VAL N N 126.8 . 1 455 44 LEU H H 8.81 . 1 456 44 LEU HA H 4.656 . 1 457 44 LEU HB2 H 2.053 . 2 458 44 LEU HB3 H 1.591 . 2 459 44 LEU HG H 0.87 . 1 460 44 LEU HD1 H 0.91 . 2 461 44 LEU HD2 H 0.91 . 2 462 44 LEU C C 177.62 . 1 463 44 LEU CA C 53.750 . 1 464 44 LEU CB C 44.08 . 1 465 44 LEU CG C 27.599 . 1 466 44 LEU CD1 C 22.76 . 2 467 44 LEU CD2 C 22.76 . 2 468 44 LEU N N 129.2 . 1 469 45 GLU H H 8.742 . 1 470 45 GLU HA H 4.465 . 1 471 45 GLU HB2 H 2.208 . 2 472 45 GLU HB3 H 1.89 . 2 473 45 GLU HG2 H 2.409 . 2 474 45 GLU HG3 H 2.332 . 2 475 45 GLU C C 177.44 . 1 476 45 GLU CA C 55.27 . 1 477 45 GLU CB C 29.83 . 1 478 45 GLU CG C 36.089 . 1 479 45 GLU N N 122.5 . 1 480 46 ARG H H 8.674 . 1 481 46 ARG HA H 2.384 . 1 482 46 ARG HB2 H 1.545 . 2 483 46 ARG HB3 H 1.38 . 2 484 46 ARG HG2 H 1.214 . 2 485 46 ARG HG3 H 1.214 . 2 486 46 ARG HD2 H 2.843 . 2 487 46 ARG HD3 H 2.843 . 2 488 46 ARG C C 179.08 . 1 489 46 ARG CA C 58.15 . 1 490 46 ARG CB C 29.05 . 1 491 46 ARG CG C 27.01 . 1 492 46 ARG CD C 42.47 . 1 493 46 ARG N N 124.6 . 1 494 47 GLU H H 9.01 . 1 495 47 GLU HA H 4.008 . 1 496 47 GLU HB2 H 2.018 . 2 497 47 GLU HB3 H 2.018 . 2 498 47 GLU HG2 H 2.356 . 2 499 47 GLU HG3 H 2.238 . 2 500 47 GLU C C 176.7 . 1 501 47 GLU CA C 58.72 . 1 502 47 GLU CB C 28.59 . 1 503 47 GLU CG C 36.57 . 1 504 47 GLU N N 117.3 . 1 505 48 ALA H H 8.011 . 1 506 48 ALA HA H 4.749 . 1 507 48 ALA HB H 1.598 . 1 508 48 ALA C C 180.07 . 1 509 48 ALA CA C 51.78 . 1 510 48 ALA CB C 19.390 . 1 511 48 ALA N N 120.2 . 1 512 49 PHE H H 8.002 . 1 513 49 PHE HA H 4.305 . 1 514 49 PHE HB2 H 3.327 . 1 515 49 PHE HB3 H 3.420 . 1 516 49 PHE HD1 H 7.046 . 2 517 49 PHE HD2 H 7.046 . 2 518 49 PHE HE1 H 7.203 . 2 519 49 PHE HE2 H 7.203 . 2 520 49 PHE C C 177.71 . 1 521 49 PHE CA C 59.969 . 1 522 49 PHE CB C 36.82 . 1 523 49 PHE CD1 C 129.618 . 2 524 49 PHE CD2 C 129.618 . 2 525 49 PHE CE1 C 131.501 . 2 526 49 PHE CE2 C 131.501 . 2 527 49 PHE N N 123.801 . 1 528 50 ASP H H 8.558 . 1 529 50 ASP HA H 4.561 . 1 530 50 ASP HB2 H 2.7 . 2 531 50 ASP HB3 H 2.7 . 2 532 50 ASP C C 176.61 . 1 533 50 ASP CA C 56.10 . 1 534 50 ASP CB C 40.35 . 1 535 50 ASP N N 115.5 . 1 536 51 ALA H H 7.539 . 1 537 51 ALA HA H 4.498 . 1 538 51 ALA HB H 1.475 . 1 539 51 ALA C C 177.37 . 1 540 51 ALA CA C 51.85 . 1 541 51 ALA CB C 20.28 . 1 542 51 ALA N N 119.5 . 1 543 52 THR H H 7.503 . 1 544 52 THR HA H 4.376 . 1 545 52 THR HB H 4.046 . 1 546 52 THR HG2 H 1.149 . 1 547 52 THR C C 172.78 . 1 548 52 THR CA C 63.45 . 1 549 52 THR CB C 69.91 . 1 550 52 THR CG2 C 21.18 . 1 551 52 THR N N 117.7 . 1 552 53 THR H H 8.354 . 1 553 53 THR HA H 4.521 . 1 554 53 THR HB H 3.952 . 1 555 53 THR HG2 H 1.083 . 1 556 53 THR C C 173.0 . 1 557 53 THR CA C 62.11 . 1 558 53 THR CB C 70.38 . 1 559 53 THR CG2 C 22.27 . 1 560 53 THR N N 120.7 . 1 561 54 VAL H H 9.223 . 1 562 54 VAL HA H 4.256 . 1 563 54 VAL HB H 1.88 . 1 564 54 VAL HG1 H 0.739 . 2 565 54 VAL HG2 H 0.898 . 2 566 54 VAL C C 173.5 . 1 567 54 VAL CA C 61.330 . 1 568 54 VAL CB C 33.09 . 1 569 54 VAL CG1 C 21.43 . 2 570 54 VAL CG2 C 22.14 . 2 571 54 VAL N N 126.2 . 1 572 55 LYS H H 9.074 . 1 573 55 LYS HA H 4.847 . 1 574 55 LYS HB2 H 1.864 . 2 575 55 LYS HB3 H 1.702 . 2 576 55 LYS HG2 H 1.487 . 2 577 55 LYS HG3 H 1.271 . 2 578 55 LYS HD2 H 1.640 . 2 579 55 LYS HD3 H 1.640 . 2 580 55 LYS HE2 H 3.04 . 2 581 55 LYS HE3 H 3.04 . 2 582 55 LYS C C 174.61 . 1 583 55 LYS CA C 54.265 . 1 584 55 LYS CB C 36.111 . 1 585 55 LYS CG C 23.547 . 1 586 55 LYS CD C 29.005 . 1 587 55 LYS CE C 42.297 . 1 588 55 LYS N N 124.7 . 1 589 56 ASP H H 8.111 . 1 590 56 ASP HA H 4.553 . 1 591 56 ASP HB2 H 2.704 . 2 592 56 ASP HB3 H 2.633 . 2 593 56 ASP C C 177.72 . 1 594 56 ASP CA C 56.040 . 1 595 56 ASP CB C 43.07 . 1 596 56 ASP N N 116.7 . 1 597 57 GLY H H 9.33 . 1 598 57 GLY HA2 H 4.343 . 2 599 57 GLY HA3 H 3.652 . 2 600 57 GLY C C 175.14 . 1 601 57 GLY CA C 44.869 . 1 602 57 GLY N N 113.9 . 1 603 58 ASP H H 8.104 . 1 604 58 ASP HA H 4.808 . 1 605 58 ASP HB2 H 2.912 . 2 606 58 ASP HB3 H 2.349 . 2 607 58 ASP C C 174.1 . 1 608 58 ASP CA C 55.7 . 1 609 58 ASP CB C 42.08 . 1 610 58 ASP N N 122.6 . 1 611 59 ALA H H 8.326 . 1 612 59 ALA HA H 5.208 . 1 613 59 ALA HB H 1.356 . 1 614 59 ALA C C 174.35 . 1 615 59 ALA CA C 50.11 . 1 616 59 ALA CB C 20.76 . 1 617 59 ALA N N 121.1 . 1 618 60 VAL H H 9.061 . 1 619 60 VAL HA H 4.117 . 1 620 60 VAL HB H 1.875 . 1 621 60 VAL HG1 H 0.7824 . 2 622 60 VAL HG2 H 0.558 . 2 623 60 VAL C C 174.3 . 1 624 60 VAL CA C 61.83 . 1 625 60 VAL CB C 33.640 . 1 626 60 VAL CG1 C 20.68 . 2 627 60 VAL CG2 C 22.59 . 2 628 60 VAL N N 121.8 . 1 629 61 GLU H H 9.027 . 1 630 61 GLU HA H 4.778 . 1 631 61 GLU HB2 H 1.733 . 2 632 61 GLU HB3 H 1.969 . 2 633 61 GLU HG2 H 2.02 . 2 634 61 GLU HG3 H 2.196 . 2 635 61 GLU C C 176.2 . 1 636 61 GLU CA C 54.152 . 1 637 61 GLU CB C 32.477 . 1 638 61 GLU CG C 35.798 . 1 639 61 GLU N N 123.90 . 1 640 62 PHE H H 9.075 . 1 641 62 PHE HA H 5.317 . 1 642 62 PHE HB2 H 2.986 . 2 643 62 PHE HB3 H 2.754 . 2 644 62 PHE HD1 H 7.058 . 2 645 62 PHE HD2 H 7.058 . 2 646 62 PHE HE1 H 6.959 . 2 647 62 PHE HE2 H 6.959 . 2 648 62 PHE HZ H 6.780 . 1 649 62 PHE C C 174.49 . 1 650 62 PHE CA C 54.910 . 1 651 62 PHE CB C 39.64 . 1 652 62 PHE CD1 C 131.039 . 2 653 62 PHE CD2 C 131.039 . 2 654 62 PHE CE1 C 130.989 . 2 655 62 PHE CE2 C 130.989 . 2 656 62 PHE CZ C 128.1 . 1 657 62 PHE N N 122.0 . 1 658 63 LEU H H 8.996 . 1 659 63 LEU HA H 4.643 . 1 660 63 LEU HB2 H 1.428 . 2 661 63 LEU HB3 H 1.259 . 2 662 63 LEU HG H 1.417 . 1 663 63 LEU HD1 H 0.778 . 2 664 63 LEU HD2 H 0.766 . 2 665 63 LEU C C 175.03 . 2 666 63 LEU CA C 53.63 . 1 667 63 LEU CB C 44.68 . 1 668 63 LEU CG C 27.27 . 1 669 63 LEU CD1 C 25.52 . 2 670 63 LEU CD2 C 23.98 . 2 671 63 LEU N N 125.00 . 1 672 64 TYR H H 8.669 . 1 673 64 TYR HA H 4.758 . 1 674 64 TYR HB2 H 2.884 . 2 675 64 TYR HB3 H 2.7 . 2 676 64 TYR HD1 H 7.038 . 2 677 64 TYR HD2 H 7.038 . 2 678 64 TYR HE1 H 6.794 . 2 679 64 TYR HE2 H 6.794 . 2 680 64 TYR C C 175.63 . 1 681 64 TYR CA C 57.46 . 1 682 64 TYR CB C 39.69 . 1 683 64 TYR CD1 C 133.210 . 2 684 64 TYR CD2 C 133.210 . 2 685 64 TYR CE1 C 118.117 . 2 686 64 TYR CE2 C 118.117 . 2 687 64 TYR N N 120.1 . 1 688 65 PHE H H 8.688 . 1 689 65 PHE HA H 4.777 . 1 690 65 PHE HB2 H 3.166 . 2 691 65 PHE HB3 H 3.012 . 2 692 65 PHE HD1 H 7.239 . 2 693 65 PHE HD2 H 7.239 . 2 694 65 PHE HE1 H 7.046 . 2 695 65 PHE HE2 H 7.046 . 2 696 65 PHE HZ H 7.298 . 1 697 65 PHE C C 175.94 . 1 698 65 PHE CA C 57.325 . 1 699 65 PHE CB C 39.34 . 1 700 65 PHE CD1 C 131.587 . 2 701 65 PHE CD2 C 131.587 . 2 702 65 PHE CE1 C 132.978 . 2 703 65 PHE CE2 C 132.978 . 2 704 65 PHE CZ C 129.9 . 1 705 65 PHE N N 122.1 . 1 706 66 MET H H 8.611 . 1 707 66 MET HA H 4.537 . 1 708 66 MET HB2 H 2.084 . 2 709 66 MET HB3 H 1.943 . 2 710 66 MET HG2 H 2.504 . 2 711 66 MET HG3 H 2.42 . 2 712 66 MET C C 176.63 . 1 713 66 MET CA C 55.37 . 1 714 66 MET CB C 32.71 . 1 715 66 MET CG C 32.13 . 1 716 66 MET N N 121.7 . 1 717 67 GLY H H 8.213 . 1 718 67 GLY HA2 H 3.928 . 2 719 67 GLY HA3 H 3.928 . 2 720 67 GLY C C 174.80 . 1 721 67 GLY CA C 45.359 . 1 722 67 GLY N N 109.6 . 1 723 68 GLY H H 8.353 . 1 724 68 GLY HA2 H 4.862 . 2 725 68 GLY HA3 H 4.861 . 2 726 68 GLY C C 174.76 . 1 727 68 GLY CA C 45.402 . 1 728 68 GLY N N 108.6 . 1 729 69 GLY H H 8.406 . 1 730 69 GLY HA2 H 3.953 . 2 731 69 GLY HA3 H 3.953 . 2 732 69 GLY C C 174.07 . 1 733 69 GLY CA C 45.242 . 1 734 69 GLY N N 109.1 . 1 735 70 LYS H H 8.153 . 1 736 70 LYS HA H 4.255 . 1 737 70 LYS HB2 H 1.794 . 2 738 70 LYS HB3 H 1.703 . 2 739 70 LYS HG2 H 1.383 . 2 740 70 LYS HG3 H 1.383 . 2 741 70 LYS HD2 H 1.652 . 2 742 70 LYS HD3 H 1.652 . 2 743 70 LYS HE2 H 2.99 . 2 744 70 LYS HE3 H 2.99 . 2 745 70 LYS C C 176.49 . 1 746 70 LYS CA C 56.37 . 1 747 70 LYS CB C 33.13 . 1 748 70 LYS CG C 24.78 . 1 749 70 LYS CD C 29.150 . 1 750 70 LYS CE C 42.238 . 1 751 70 LYS N N 120.5 . 1 752 71 LEU H H 8.253 . 1 753 71 LEU HA H 4.285 . 1 754 71 LEU HB2 H 1.534 . 2 755 71 LEU HB3 H 1.45 . 2 756 71 LEU HG H 1.51 . 1 757 71 LEU HD1 H 0.813 . 2 758 71 LEU HD2 H 0.761 . 2 759 71 LEU C C 177.11 . 1 760 71 LEU CA C 55.12 . 1 761 71 LEU CB C 42.236 . 1 762 71 LEU CG C 26.96 . 1 763 71 LEU CD1 C 24.890 . 2 764 71 LEU CD2 C 23.59 . 2 765 71 LEU N N 122.905 . 1 766 72 GLU H H 8.343 . 1 767 72 GLU HA H 4.238 . 1 768 72 GLU HB2 H 1.920 . 2 769 72 GLU HB3 H 1.840 . 2 770 72 GLU HG2 H 2.18 . 2 771 72 GLU HG3 H 2.14 . 2 772 72 GLU C C 176.1 . 1 773 72 GLU CA C 56.76 . 1 774 72 GLU CB C 30.619 . 1 775 72 GLU CG C 36.12 . 1 776 72 GLU N N 121.50 . 1 777 73 HIS H H 8.404 . 1 778 73 HIS HA H 4.593 . 1 779 73 HIS HB2 H 3.003 . 2 780 73 HIS HB3 H 3.076 . 2 781 73 HIS C C 173.84 . 1 782 73 HIS CA C 55.777 . 1 783 73 HIS CB C 30.08 . 1 784 73 HIS N N 119.733 . 1 785 74 HIS H H 8.213 . 1 786 74 HIS CA C 57.175 . 1 787 74 HIS CB C 30.671 . 1 788 74 HIS N N 125.387 . 1 cwd: /data/PSVS/PSVS-v1.4-dev/results/GMR137_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/GMR137_R3_em_bcr3/rpf_calc/input/ctrl_file -o rpf_calc -q GMR137_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: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: GMR137_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 ...