AS object created. control filepath is: /data/PSVS/PSVS-v1.4-dev/results/SR478_R3Cons_em_bcr3/rpf_calc/input/ctrl_file

bmrb: chem_shift.bmrb
sequence: SR478_R3Cons_em_bcr3_seq.bmrb
parsing bmrb: /data/PSVS/PSVS-v1.4-dev/results/SR478_R3Cons_em_bcr3/rpf_calc/input/chem_shift.bmrb
new residue 1 
adding: *1* *1* *Met* *HE* *H* *1.900* *.* *1*
old residue 1 
adding: *2* *1* *Met* *CE* *C* *16.510* *.* *1*
new residue 2 
adding: *3* *2* *Ser* *HA* *H* *4.100* *.* *1*
old residue 2 
adding: *4* *2* *Ser* *HB2* *H* *3.740* *.* *2*
old residue 2 
adding: *5* *2* *Ser* *HB3* *H* *3.940* *.* *2*
old residue 2 
adding: *6* *2* *Ser* *CA* *C* *57.480* *.* *1*
old residue 2 
adding: *7* *2* *Ser* *CB* *C* *63.140* *.* *1*
new residue 3 
adding: *8* *3* *Glu* *H* *H* *8.780* *.* *1*
old residue 3 
adding: *9* *3* *Glu* *HA* *H* *4.150* *.* *1*
old residue 3 
adding: *10* *3* *Glu* *HG2* *H* *2.260* *.* *2*
old residue 3 
adding: *11* *3* *Glu* *CA* *C* *55.800* *.* *1*
old residue 3 
adding: *12* *3* *Glu* *CB* *C* *30.220* *.* *1*
old residue 3 
adding: *13* *3* *Glu* *CG* *C* *35.950* *.* *1*
old residue 3 
adding: *14* *3* *Glu* *N* *N* *122.130* *.* *1*
new residue 4 
adding: *15* *4* *Leu* *H* *H* *8.510* *.* *1*
old residue 4 
adding: *16* *4* *Leu* *HA* *H* *2.580* *.* *1*
old residue 4 
adding: *17* *4* *Leu* *HB2* *H* *0.470* *.* *2*
old residue 4 
adding: *18* *4* *Leu* *HB3* *H* *1.070* *.* *2*
old residue 4 
adding: *19* *4* *Leu* *HG* *H* *0.480* *.* *1*
old residue 4 
adding: *20* *4* *Leu* *HD1* *H* *0.270* *.* *2*
old residue 4 
adding: *21* *4* *Leu* *HD2* *H* *0.370* *.* *2*
old residue 4 
adding: *22* *4* *Leu* *CA* *C* *56.840* *.* *1*
old residue 4 
adding: *23* *4* *Leu* *CB* *C* *41.550* *.* *1*
old residue 4 
adding: *24* *4* *Leu* *CG* *C* *26.050* *.* *1*
old residue 4 
adding: *25* *4* *Leu* *CD1* *C* *23.820* *.* *1*
old residue 4 
adding: *26* *4* *Leu* *CD2* *C* *24.370* *.* *1*
old residue 4 
adding: *27* *4* *Leu* *N* *N* *128.210* *.* *1*
new residue 5 
adding: *28* *5* *Phe* *HB2* *H* *3.430* *.* *2*
old residue 5 
adding: *29* *5* *Phe* *CB* *C* *36.040* *.* *1*
new residue 6 
adding: *30* *6* *Ser* *H* *H* *7.450* *.* *1*
old residue 6 
adding: *31* *6* *Ser* *HA* *H* *4.290* *.* *1*
old residue 6 
adding: *32* *6* *Ser* *HB2* *H* *3.670* *.* *2*
old residue 6 
adding: *33* *6* *Ser* *HB3* *H* *3.860* *.* *2*
old residue 6 
adding: *34* *6* *Ser* *CA* *C* *58.050* *.* *1*
old residue 6 
adding: *35* *6* *Ser* *CB* *C* *65.770* *.* *1*
old residue 6 
adding: *36* *6* *Ser* *N* *N* *114.000* *.* *1*
new residue 7 
adding: *37* *7* *Val* *H* *H* *9.200* *.* *1*
old residue 7 
adding: *38* *7* *Val* *HA* *H* *4.070* *.* *1*
old residue 7 
adding: *39* *7* *Val* *HB* *H* *2.320* *.* *1*
old residue 7 
adding: *40* *7* *Val* *HG1* *H* *0.990* *.* *2*
old residue 7 
adding: *41* *7* *Val* *HG2* *H* *1.220* *.* *2*
old residue 7 
adding: *42* *7* *Val* *CA* *C* *69.820* *.* *1*
old residue 7 
adding: *43* *7* *Val* *CB* *C* *29.440* *.* *1*
old residue 7 
adding: *44* *7* *Val* *CG1* *C* *21.220* *.* *1*
old residue 7 
adding: *45* *7* *Val* *CG2* *C* *23.240* *.* *1*
old residue 7 
adding: *46* *7* *Val* *N* *N* *119.920* *.* *1*
new residue 8 
adding: *47* *8* *Pro* *HA* *H* *4.200* *.* *1*
old residue 8 
adding: *48* *8* *Pro* *HB2* *H* *2.200* *.* *2*
old residue 8 
adding: *49* *8* *Pro* *CA* *C* *66.280* *.* *1*
old residue 8 
adding: *50* *8* *Pro* *CB* *C* *30.950* *.* *1*
new residue 9 
adding: *51* *9* *Tyr* *H* *H* *7.260* *.* *1*
old residue 9 
adding: *52* *9* *Tyr* *HA* *H* *4.630* *.* *1*
old residue 9 
adding: *53* *9* *Tyr* *HB2* *H* *3.000* *.* *2*
old residue 9 
adding: *54* *9* *Tyr* *HD1* *H* *6.360* *.* *3*
old residue 9 
adding: *55* *9* *Tyr* *HE1* *H* *6.560* *.* *3*
old residue 9 
adding: *56* *9* *Tyr* *CA* *C* *60.800* *.* *1*
old residue 9 
adding: *57* *9* *Tyr* *CB* *C* *37.800* *.* *1*
old residue 9 
adding: *58* *9* *Tyr* *CD1* *C* *132.700* *.* *3*
old residue 9 
adding: *59* *9* *Tyr* *CE1* *C* *119.000* *.* *3*
old residue 9 
adding: *60* *9* *Tyr* *N* *N* *118.680* *.* *1*
new residue 10 
adding: *61* *10* *Phe* *H* *H* *8.500* *.* *1*
old residue 10 
adding: *62* *10* *Phe* *HA* *H* *4.630* *.* *1*
old residue 10 
adding: *63* *10* *Phe* *HB2* *H* *3.160* *.* *2*
old residue 10 
adding: *64* *10* *Phe* *HD1* *H* *6.920* *.* *3*
old residue 10 
adding: *65* *10* *Phe* *HE1* *H* *7.300* *.* *3*
old residue 10 
adding: *66* *10* *Phe* *HZ* *H* *7.870* *.* *1*
old residue 10 
adding: *67* *10* *Phe* *CA* *C* *62.200* *.* *1*
old residue 10 
adding: *68* *10* *Phe* *CB* *C* *39.710* *.* *1*
old residue 10 
adding: *69* *10* *Phe* *CD1* *C* *130.400* *.* *3*
old residue 10 
adding: *70* *10* *Phe* *CE1* *C* *131.700* *.* *3*
old residue 10 
adding: *71* *10* *Phe* *CZ* *C* *132.600* *.* *1*
old residue 10 
adding: *72* *10* *Phe* *N* *N* *121.130* *.* *1*
new residue 11 
adding: *73* *11* *Ile* *H* *H* *8.990* *.* *1*
old residue 11 
adding: *74* *11* *Ile* *HA* *H* *3.520* *.* *1*
old residue 11 
adding: *75* *11* *Ile* *HB* *H* *1.990* *.* *1*
old residue 11 
adding: *76* *11* *Ile* *HG12* *H* *0.830* *.* *1*
old residue 11 
adding: *77* *11* *Ile* *HG2* *H* *0.840* *.* *1*
old residue 11 
adding: *78* *11* *Ile* *HD1* *H* *0.880* *.* *1*
old residue 11 
adding: *79* *11* *Ile* *CA* *C* *67.240* *.* *1*
old residue 11 
adding: *80* *11* *Ile* *CB* *C* *37.970* *.* *1*
old residue 11 
adding: *81* *11* *Ile* *CG1* *C* *21.360* *.* *1*
old residue 11 
adding: *82* *11* *Ile* *CG2* *C* *16.360* *.* *1*
old residue 11 
adding: *83* *11* *Ile* *CD1* *C* *14.500* *.* *1*
old residue 11 
adding: *84* *11* *Ile* *N* *N* *122.680* *.* *1*
new residue 12 
adding: *85* *12* *Glu* *H* *H* *7.990* *.* *1*
old residue 12 
adding: *86* *12* *Glu* *HA* *H* *3.940* *.* *1*
old residue 12 
adding: *87* *12* *Glu* *HB2* *H* *1.910* *.* *2*
old residue 12 
adding: *88* *12* *Glu* *HB3* *H* *2.060* *.* *2*
old residue 12 
adding: *89* *12* *Glu* *HG2* *H* *2.260* *.* *2*
old residue 12 
adding: *90* *12* *Glu* *CA* *C* *59.200* *.* *1*
old residue 12 
adding: *91* *12* *Glu* *CB* *C* *28.910* *.* *1*
old residue 12 
adding: *92* *12* *Glu* *CG* *C* *35.590* *.* *1*
old residue 12 
adding: *93* *12* *Glu* *N* *N* *117.840* *.* *1*
new residue 13 
adding: *94* *13* *Asn* *H* *H* *7.750* *.* *1*
old residue 13 
adding: *95* *13* *Asn* *HA* *H* *4.270* *.* *1*
old residue 13 
adding: *96* *13* *Asn* *HB2* *H* *2.370* *.* *2*
old residue 13 
adding: *97* *13* *Asn* *HB3* *H* *2.610* *.* *2*
old residue 13 
adding: *98* *13* *Asn* *CA* *C* *57.170* *.* *1*
old residue 13 
adding: *99* *13* *Asn* *CB* *C* *39.850* *.* *1*
old residue 13 
adding: *100* *13* *Asn* *N* *N* *117.500* *.* *1*
new residue 14 
adding: *101* *14* *Leu* *H* *H* *8.930* *.* *1*
old residue 14 
adding: *102* *14* *Leu* *HA* *H* *3.520* *.* *1*
old residue 14 
adding: *103* *14* *Leu* *HB2* *H* *2.316* *.* *2*
old residue 14 
adding: *104* *14* *Leu* *HB3* *H* *1.180* *.* *2*
old residue 14 
adding: *105* *14* *Leu* *HG* *H* *1.830* *.* *1*
old residue 14 
adding: *106* *14* *Leu* *HD1* *H* *0.960* *.* *2*
old residue 14 
adding: *107* *14* *Leu* *HD2* *H* *1.150* *.* *2*
old residue 14 
adding: *108* *14* *Leu* *CA* *C* *59.300* *.* *1*
old residue 14 
adding: *109* *14* *Leu* *CB* *C* *42.860* *.* *1*
old residue 14 
adding: *110* *14* *Leu* *CG* *C* *26.400* *.* *1*
old residue 14 
adding: *111* *14* *Leu* *CD1* *C* *26.140* *.* *1*
old residue 14 
adding: *112* *14* *Leu* *CD2* *C* *26.860* *.* *1*
old residue 14 
adding: *113* *14* *Leu* *N* *N* *124.290* *.* *1*
new residue 15 
adding: *114* *15* *Lys* *H* *H* *8.210* *.* *1*
old residue 15 
adding: *115* *15* *Lys* *HA* *H* *3.860* *.* *1*
old residue 15 
adding: *116* *15* *Lys* *HB2* *H* *1.830* *.* *2*
old residue 15 
adding: *117* *15* *Lys* *CA* *C* *60.690* *.* *1*
old residue 15 
adding: *118* *15* *Lys* *CB* *C* *31.940* *.* *1*
old residue 15 
adding: *119* *15* *Lys* *CG* *C* *26.170* *.* *1*
old residue 15 
adding: *120* *15* *Lys* *CD* *C* *29.410* *.* *1*
old residue 15 
adding: *121* *15* *Lys* *CE* *C* *41.850* *.* *1*
old residue 15 
adding: *122* *15* *Lys* *N* *N* *117.580* *.* *1*
new residue 16 
adding: *123* *16* *Gln* *H* *H* *7.990* *.* *1*
old residue 16 
adding: *124* *16* *Gln* *HA* *H* *4.010* *.* *1*
old residue 16 
adding: *125* *16* *Gln* *HG2* *H* *2.280* *.* *2*
old residue 16 
adding: *126* *16* *Gln* *HG3* *H* *2.450* *.* *2*
old residue 16 
adding: *127* *16* *Gln* *CA* *C* *58.910* *.* *1*
old residue 16 
adding: *128* *16* *Gln* *CB* *C* *28.410* *.* *1*
old residue 16 
adding: *129* *16* *Gln* *CG* *C* *34.010* *.* *1*
old residue 16 
adding: *130* *16* *Gln* *N* *N* *118.450* *.* *1*
new residue 17 
adding: *131* *17* *His* *H* *H* *7.930* *.* *1*
old residue 17 
adding: *132* *17* *His* *HA* *H* *4.020* *.* *1*
old residue 17 
adding: *133* *17* *His* *HB2* *H* *3.206* *.* *2*
old residue 17 
adding: *134* *17* *His* *HB3* *H* *2.920* *.* *2*
old residue 17 
adding: *135* *17* *His* *CA* *C* *60.620* *.* *1*
old residue 17 
adding: *136* *17* *His* *CB* *C* *28.270* *.* *1*
old residue 17 
adding: *137* *17* *His* *N* *N* *117.300* *.* *1*
new residue 18 
adding: *138* *18* *Ile* *H* *H* *8.090* *.* *1*
old residue 18 
adding: *139* *18* *Ile* *HA* *H* *3.530* *.* *1*
old residue 18 
adding: *140* *18* *Ile* *HB* *H* *0.910* *.* *1*
old residue 18 
adding: *141* *18* *Ile* *HG12* *H* *1.740* *.* *1*
old residue 18 
adding: *142* *18* *Ile* *HG13* *H* *1.930* *.* *1*
old residue 18 
adding: *143* *18* *Ile* *HG2* *H* *0.890* *.* *1*
old residue 18 
adding: *144* *18* *Ile* *HD1* *H* *0.760* *.* *1*
old residue 18 
adding: *145* *18* *Ile* *CA* *C* *65.650* *.* *1*
old residue 18 
adding: *146* *18* *Ile* *CB* *C* *38.780* *.* *1*
old residue 18 
adding: *147* *18* *Ile* *CG1* *C* *25.720* *.* *1*
old residue 18 
adding: *148* *18* *Ile* *CG2* *C* *17.220* *.* *1*
old residue 18 
adding: *149* *18* *Ile* *CD1* *C* *14.800* *.* *1*
old residue 18 
adding: *150* *18* *Ile* *N* *N* *120.340* *.* *1*
new residue 19 
adding: *151* *19* *Glu* *H* *H* *7.690* *.* *1*
old residue 19 
adding: *152* *19* *Glu* *HA* *H* *3.980* *.* *1*
old residue 19 
adding: *153* *19* *Glu* *HG2* *H* *2.390* *.* *2*
old residue 19 
adding: *154* *19* *Glu* *CA* *C* *58.520* *.* *1*
old residue 19 
adding: *155* *19* *Glu* *CB* *C* *29.390* *.* *1*
old residue 19 
adding: *156* *19* *Glu* *CG* *C* *36.000* *.* *1*
old residue 19 
adding: *157* *19* *Glu* *N* *N* *118.010* *.* *1*
new residue 20 
adding: *158* *20* *Met* *H* *H* *7.740* *.* *1*
old residue 20 
adding: *159* *20* *Met* *HA* *H* *4.310* *.* *1*
old residue 20 
adding: *160* *20* *Met* *HB2* *H* *1.950* *.* *2*
old residue 20 
adding: *161* *20* *Met* *HB3* *H* *2.120* *.* *2*
old residue 20 
adding: *162* *20* *Met* *HG2* *H* *2.560* *.* *2*
old residue 20 
adding: *163* *20* *Met* *HG3* *H* *2.660* *.* *2*
old residue 20 
adding: *164* *20* *Met* *HE* *H* *1.940* *.* *1*
old residue 20 
adding: *165* *20* *Met* *CA* *C* *56.700* *.* *1*
old residue 20 
adding: *166* *20* *Met* *CB* *C* *33.270* *.* *1*
old residue 20 
adding: *167* *20* *Met* *CG* *C* *32.100* *.* *1*
old residue 20 
adding: *168* *20* *Met* *CE* *C* *16.630* *.* *1*
old residue 20 
adding: *169* *20* *Met* *N* *N* *115.510* *.* *1*
new residue 21 
adding: *170* *21* *Asn* *H* *H* *7.380* *.* *1*
old residue 21 
adding: *171* *21* *Asn* *HA* *H* *5.015* *.* *1*
old residue 21 
adding: *172* *21* *Asn* *HB2* *H* *2.540* *.* *2*
old residue 21 
adding: *173* *21* *Asn* *HB3* *H* *2.820* *.* *2*
old residue 21 
adding: *174* *21* *Asn* *CA* *C* *52.570* *.* *1*
old residue 21 
adding: *175* *21* *Asn* *CB* *C* *39.660* *.* *1*
old residue 21 
adding: *176* *21* *Asn* *N* *N* *119.190* *.* *1*
new residue 22 
adding: *177* *22* *Gln* *H* *H* *8.190* *.* *1*
old residue 22 
adding: *178* *22* *Gln* *HA* *H* *4.250* *.* *1*
old residue 22 
adding: *179* *22* *Gln* *HB2* *H* *2.050* *.* *2*
old residue 22 
adding: *180* *22* *Gln* *HB3* *H* *2.260* *.* *2*
old residue 22 
adding: *181* *22* *Gln* *HG2* *H* *2.480* *.* *2*
old residue 22 
adding: *182* *22* *Gln* *CA* *C* *57.900* *.* *1*
old residue 22 
adding: *183* *22* *Gln* *CB* *C* *28.980* *.* *1*
old residue 22 
adding: *184* *22* *Gln* *CG* *C* *34.530* *.* *1*
old residue 22 
adding: *185* *22* *Gln* *N* *N* *118.880* *.* *1*
new residue 23 
adding: *186* *23* *Ser* *H* *H* *8.310* *.* *1*
old residue 23 
adding: *187* *23* *Ser* *HA* *H* *3.880* *.* *1*
old residue 23 
adding: *188* *23* *Ser* *CA* *C* *59.440* *.* *1*
old residue 23 
adding: *189* *23* *Ser* *CB* *C* *63.190* *.* *1*
old residue 23 
adding: *190* *23* *Ser* *N* *N* *113.870* *.* *1*
new residue 24 
adding: *191* *24* *Glu* *H* *H* *7.840* *.* *1*
old residue 24 
adding: *192* *24* *Glu* *HA* *H* *4.550* *.* *1*
old residue 24 
adding: *193* *24* *Glu* *HB2* *H* *2.000* *.* *2*
old residue 24 
adding: *194* *24* *Glu* *HB3* *H* *2.140* *.* *2*
old residue 24 
adding: *195* *24* *Glu* *HG2* *H* *2.370* *.* *2*
old residue 24 
adding: *196* *24* *Glu* *HG3* *H* *2.430* *.* *2*
old residue 24 
adding: *197* *24* *Glu* *CA* *C* *54.920* *.* *1*
old residue 24 
adding: *198* *24* *Glu* *CB* *C* *31.620* *.* *1*
old residue 24 
adding: *199* *24* *Glu* *CG* *C* *35.580* *.* *1*
old residue 24 
adding: *200* *24* *Glu* *N* *N* *121.680* *.* *1*
new residue 25 
adding: *201* *25* *Asp* *H* *H* *8.480* *.* *1*
old residue 25 
adding: *202* *25* *Asp* *HA* *H* *4.460* *.* *1*
old residue 25 
adding: *203* *25* *Asp* *HB2* *H* *2.470* *.* *2*
old residue 25 
adding: *204* *25* *Asp* *HB3* *H* *2.580* *.* *2*
old residue 25 
adding: *205* *25* *Asp* *CA* *C* *54.870* *.* *1*
old residue 25 
adding: *206* *25* *Asp* *CB* *C* *42.500* *.* *1*
old residue 25 
adding: *207* *25* *Asp* *N* *N* *122.420* *.* *1*
new residue 26 
adding: *208* *26* *Lys* *H* *H* *8.360* *.* *1*
old residue 26 
adding: *209* *26* *Lys* *HA* *H* *4.030* *.* *1*
old residue 26 
adding: *210* *26* *Lys* *HB2* *H* *1.910* *.* *2*
old residue 26 
adding: *211* *26* *Lys* *HB3* *H* *1.700* *.* *2*
old residue 26 
adding: *212* *26* *Lys* *HG2* *H* *1.280* *.* *2*
old residue 26 
adding: *213* *26* *Lys* *HG3* *H* *1.320* *.* *2*
old residue 26 
adding: *214* *26* *Lys* *CA* *C* *60.080* *.* *1*
old residue 26 
adding: *215* *26* *Lys* *CB* *C* *33.160* *.* *1*
old residue 26 
adding: *216* *26* *Lys* *CG* *C* *24.700* *.* *1*
old residue 26 
adding: *217* *26* *Lys* *CD* *C* *29.730* *.* *1*
old residue 26 
adding: *218* *26* *Lys* *CE* *C* *39.980* *.* *1*
old residue 26 
adding: *219* *26* *Lys* *N* *N* *124.950* *.* *1*
new residue 27 
adding: *220* *27* *Ile* *H* *H* *8.080* *.* *1*
old residue 27 
adding: *221* *27* *Ile* *HA* *H* *3.880* *.* *1*
old residue 27 
adding: *222* *27* *Ile* *HB* *H* *1.850* *.* *1*
old residue 27 
adding: *223* *27* *Ile* *HG12* *H* *1.380* *.* *1*
old residue 27 
adding: *224* *27* *Ile* *HG2* *H* *0.760* *.* *1*
old residue 27 
adding: *225* *27* *Ile* *HD1* *H* *0.790* *.* *1*
old residue 27 
adding: *226* *27* *Ile* *CA* *C* *62.530* *.* *1*
old residue 27 
adding: *227* *27* *Ile* *CB* *C* *36.440* *.* *1*
old residue 27 
adding: *228* *27* *Ile* *CG1* *C* *28.400* *.* *1*
old residue 27 
adding: *229* *27* *Ile* *CG2* *C* *18.100* *.* *1*
old residue 27 
adding: *230* *27* *Ile* *CD1* *C* *11.360* *.* *1*
old residue 27 
adding: *231* *27* *Ile* *N* *N* *118.410* *.* *1*
new residue 28 
adding: *232* *28* *His* *H* *H* *7.500* *.* *1*
old residue 28 
adding: *233* *28* *His* *CA* *C* *57.730* *.* *1*
old residue 28 
adding: *234* *28* *His* *CB* *C* *29.060* *.* *1*
old residue 28 
adding: *235* *28* *His* *N* *N* *119.010* *.* *1*
new residue 29 
adding: *236* *29* *Ala* *H* *H* *8.390* *.* *1*
old residue 29 
adding: *237* *29* *Ala* *HA* *H* *4.330* *.* *1*
old residue 29 
adding: *238* *29* *Ala* *HB* *H* *1.520* *.* *1*
old residue 29 
adding: *239* *29* *Ala* *CA* *C* *55.330* *.* *1*
old residue 29 
adding: *240* *29* *Ala* *CB* *C* *18.400* *.* *1*
old residue 29 
adding: *241* *29* *Ala* *N* *N* *123.920* *.* *1*
new residue 30 
adding: *242* *30* *Met* *H* *H* *8.570* *.* *1*
old residue 30 
adding: *243* *30* *Met* *HA* *H* *3.890* *.* *1*
old residue 30 
adding: *244* *30* *Met* *HE* *H* *2.070* *.* *1*
old residue 30 
adding: *245* *30* *Met* *CA* *C* *60.300* *.* *1*
old residue 30 
adding: *246* *30* *Met* *CB* *C* *34.850* *.* *1*
old residue 30 
adding: *247* *30* *Met* *CG* *C* *32.490* *.* *1*
old residue 30 
adding: *248* *30* *Met* *CE* *C* *16.940* *.* *1*
old residue 30 
adding: *249* *30* *Met* *N* *N* *118.300* *.* *1*
new residue 31 
adding: *250* *31* *Asn* *H* *H* *8.920* *.* *1*
old residue 31 
adding: *251* *31* *Asn* *CA* *C* *55.690* *.* *1*
old residue 31 
adding: *252* *31* *Asn* *CB* *C* *37.450* *.* *1*
old residue 31 
adding: *253* *31* *Asn* *N* *N* *117.930* *.* *1*
new residue 32 
adding: *254* *32* *Ser* *H* *H* *8.220* *.* *1*
old residue 32 
adding: *255* *32* *Ser* *HA* *H* *4.150* *.* *1*
old residue 32 
adding: *256* *32* *Ser* *HB2* *H* *3.980* *.* *2*
old residue 32 
adding: *257* *32* *Ser* *CA* *C* *61.290* *.* *1*
old residue 32 
adding: *258* *32* *Ser* *CB* *C* *62.820* *.* *1*
old residue 32 
adding: *259* *32* *Ser* *N* *N* *116.470* *.* *1*
new residue 33 
adding: *260* *33* *Tyr* *H* *H* *7.660* *.* *1*
old residue 33 
adding: *261* *33* *Tyr* *HB2* *H* *2.860* *.* *2*
old residue 33 
adding: *262* *33* *Tyr* *HB3* *H* *3.990* *.* *2*
old residue 33 
adding: *263* *33* *Tyr* *HD1* *H* *6.590* *.* *3*
old residue 33 
adding: *264* *33* *Tyr* *HE1* *H* *6.600* *.* *3*
old residue 33 
adding: *265* *33* *Tyr* *CA* *C* *61.290* *.* *1*
old residue 33 
adding: *266* *33* *Tyr* *CB* *C* *37.730* *.* *1*
old residue 33 
adding: *267* *33* *Tyr* *CD1* *C* *132.200* *.* *3*
old residue 33 
adding: *268* *33* *Tyr* *CE1* *C* *118.200* *.* *3*
old residue 33 
adding: *269* *33* *Tyr* *N* *N* *122.400* *.* *1*
new residue 34 
adding: *270* *34* *Tyr* *H* *H* *8.580* *.* *1*
old residue 34 
adding: *271* *34* *Tyr* *HA* *H* *3.430* *.* *1*
old residue 34 
adding: *272* *34* *Tyr* *HB2* *H* *1.910* *.* *2*
old residue 34 
adding: *273* *34* *Tyr* *HD1* *H* *6.650* *.* *3*
old residue 34 
adding: *274* *34* *Tyr* *HE1* *H* *6.420* *.* *3*
old residue 34 
adding: *275* *34* *Tyr* *CA* *C* *60.860* *.* *1*
old residue 34 
adding: *276* *34* *Tyr* *CB* *C* *40.090* *.* *1*
old residue 34 
adding: *277* *34* *Tyr* *CD1* *C* *132.900* *.* *3*
old residue 34 
adding: *278* *34* *Tyr* *CE1* *C* *117.600* *.* *3*
old residue 34 
adding: *279* *34* *Tyr* *N* *N* *119.850* *.* *1*
new residue 35 
adding: *280* *35* *Arg* *H* *H* *7.700* *.* *1*
old residue 35 
adding: *281* *35* *Arg* *HA* *H* *4.010* *.* *1*
old residue 35 
adding: *282* *35* *Arg* *HB2* *H* *2.450* *.* *2*
old residue 35 
adding: *283* *35* *Arg* *HB3* *H* *2.270* *.* *2*
old residue 35 
adding: *284* *35* *Arg* *CA* *C* *59.340* *.* *1*
old residue 35 
adding: *285* *35* *Arg* *CB* *C* *28.090* *.* *1*
old residue 35 
adding: *286* *35* *Arg* *CG* *C* *24.110* *.* *1*
old residue 35 
adding: *287* *35* *Arg* *N* *N* *117.830* *.* *1*
new residue 36 
adding: *288* *36* *Ser* *H* *H* *7.310* *.* *1*
old residue 36 
adding: *289* *36* *Ser* *HA* *H* *3.880* *.* *1*
old residue 36 
adding: *290* *36* *Ser* *CA* *C* *61.660* *.* *1*
old residue 36 
adding: *291* *36* *Ser* *CB* *C* *62.990* *.* *1*
old residue 36 
adding: *292* *36* *Ser* *N* *N* *112.890* *.* *1*
new residue 37 
adding: *293* *37* *Val* *H* *H* *7.830* *.* *1*
old residue 37 
adding: *294* *37* *Val* *HA* *H* *3.560* *.* *1*
old residue 37 
adding: *295* *37* *Val* *HB* *H* *1.560* *.* *1*
old residue 37 
adding: *296* *37* *Val* *HG1* *H* *0.800* *.* *2*
old residue 37 
adding: *297* *37* *Val* *HG2* *H* *0.480* *.* *2*
old residue 37 
adding: *298* *37* *Val* *CA* *C* *66.220* *.* *1*
old residue 37 
adding: *299* *37* *Val* *CB* *C* *31.620* *.* *1*
old residue 37 
adding: *300* *37* *Val* *CG1* *C* *22.930* *.* *1*
old residue 37 
adding: *301* *37* *Val* *CG2* *C* *22.610* *.* *1*
old residue 37 
adding: *302* *37* *Val* *N* *N* *121.970* *.* *1*
new residue 38 
adding: *303* *38* *Val* *H* *H* *8.050* *.* *1*
old residue 38 
adding: *304* *38* *Val* *HA* *H* *3.050* *.* *1*
old residue 38 
adding: *305* *38* *Val* *HG2* *H* *0.700* *.* *2*
old residue 38 
adding: *306* *38* *Val* *CA* *C* *68.440* *.* *1*
old residue 38 
adding: *307* *38* *Val* *CB* *C* *30.990* *.* *1*
old residue 38 
adding: *308* *38* *Val* *CG2* *C* *25.440* *.* *1*
old residue 38 
adding: *309* *38* *Val* *N* *N* *120.590* *.* *1*
new residue 39 
adding: *310* *39* *Ser* *H* *H* *7.810* *.* *1*
old residue 39 
adding: *311* *39* *Ser* *HA* *H* *3.940* *.* *1*
old residue 39 
adding: *312* *39* *Ser* *HB2* *H* *3.730* *.* *2*
old residue 39 
adding: *313* *39* *Ser* *CA* *C* *61.490* *.* *1*
old residue 39 
adding: *314* *39* *Ser* *CB* *C* *63.590* *.* *1*
old residue 39 
adding: *315* *39* *Ser* *N* *N* *110.480* *.* *1*
new residue 40 
adding: *316* *40* *Thr* *H* *H* *7.290* *.* *1*
old residue 40 
adding: *317* *40* *Thr* *HA* *H* *3.920* *.* *1*
old residue 40 
adding: *318* *40* *Thr* *HB* *H* *4.290* *.* *1*
old residue 40 
adding: *319* *40* *Thr* *HG2* *H* *1.260* *.* *1*
old residue 40 
adding: *320* *40* *Thr* *CA* *C* *66.280* *.* *1*
old residue 40 
adding: *321* *40* *Thr* *CB* *C* *69.180* *.* *1*
old residue 40 
adding: *322* *40* *Thr* *CG2* *C* *21.810* *.* *1*
old residue 40 
adding: *323* *40* *Thr* *N* *N* *113.390* *.* *1*
new residue 41 
adding: *324* *41* *Leu* *H* *H* *8.510* *.* *1*
old residue 41 
adding: *325* *41* *Leu* *HA* *H* *4.040* *.* *1*
old residue 41 
adding: *326* *41* *Leu* *HB2* *H* *1.090* *.* *2*
old residue 41 
adding: *327* *41* *Leu* *HB3* *H* *1.860* *.* *2*
old residue 41 
adding: *328* *41* *Leu* *HG* *H* *0.560* *.* *1*
old residue 41 
adding: *329* *41* *Leu* *HD2* *H* *0.480* *.* *2*
old residue 41 
adding: *330* *41* *Leu* *CA* *C* *58.130* *.* *1*
old residue 41 
adding: *331* *41* *Leu* *CB* *C* *41.970* *.* *1*
old residue 41 
adding: *332* *41* *Leu* *CG* *C* *26.980* *.* *1*
old residue 41 
adding: *333* *41* *Leu* *CD2* *C* *22.800* *.* *1*
old residue 41 
adding: *334* *41* *Leu* *N* *N* *122.040* *.* *1*
new residue 42 
adding: *335* *42* *Val* *H* *H* *8.260* *.* *1*
old residue 42 
adding: *336* *42* *Val* *HA* *H* *4.090* *.* *1*
old residue 42 
adding: *337* *42* *Val* *HB* *H* *2.240* *.* *1*
old residue 42 
adding: *338* *42* *Val* *HG1* *H* *0.840* *.* *2*
old residue 42 
adding: *339* *42* *Val* *HG2* *H* *0.920* *.* *2*
old residue 42 
adding: *340* *42* *Val* *CA* *C* *63.400* *.* *1*
old residue 42 
adding: *341* *42* *Val* *CB* *C* *31.260* *.* *1*
old residue 42 
adding: *342* *42* *Val* *CG1* *C* *21.690* *.* *1*
old residue 42 
adding: *343* *42* *Val* *CG2* *C* *19.660* *.* *1*
old residue 42 
adding: *344* *42* *Val* *N* *N* *108.850* *.* *1*
new residue 43 
adding: *345* *43* *Gln* *H* *H* *7.150* *.* *1*
old residue 43 
adding: *346* *43* *Gln* *HA* *H* *4.350* *.* *1*
old residue 43 
adding: *347* *43* *Gln* *HB2* *H* *2.340* *.* *2*
old residue 43 
adding: *348* *43* *Gln* *HB3* *H* *2.000* *.* *2*
old residue 43 
adding: *349* *43* *Gln* *HG2* *H* *2.590* *.* *2*
old residue 43 
adding: *350* *43* *Gln* *CA* *C* *55.760* *.* *1*
old residue 43 
adding: *351* *43* *Gln* *CB* *C* *28.940* *.* *1*
old residue 43 
adding: *352* *43* *Gln* *CG* *C* *33.960* *.* *1*
old residue 43 
adding: *353* *43* *Gln* *N* *N* *118.250* *.* *1*
new residue 44 
adding: *354* *44* *Asp* *H* *H* *6.940* *.* *1*
old residue 44 
adding: *355* *44* *Asp* *HA* *H* *4.440* *.* *1*
old residue 44 
adding: *356* *44* *Asp* *HB2* *H* *2.680* *.* *2*
old residue 44 
adding: *357* *44* *Asp* *HB3* *H* *3.010* *.* *2*
old residue 44 
adding: *358* *44* *Asp* *CA* *C* *54.080* *.* *1*
old residue 44 
adding: *359* *44* *Asp* *CB* *C* *40.800* *.* *1*
old residue 44 
adding: *360* *44* *Asp* *N* *N* *119.450* *.* *1*
new residue 45 
adding: *361* *45* *Gln* *H* *H* *8.710* *.* *1*
old residue 45 
adding: *362* *45* *Gln* *HA* *H* *4.360* *.* *1*
old residue 45 
adding: *363* *45* *Gln* *HG2* *H* *2.430* *.* *2*
old residue 45 
adding: *364* *45* *Gln* *CA* *C* *55.960* *.* *1*
old residue 45 
adding: *365* *45* *Gln* *CB* *C* *29.440* *.* *1*
old residue 45 
adding: *366* *45* *Gln* *CG* *C* *34.490* *.* *1*
old residue 45 
adding: *367* *45* *Gln* *N* *N* *124.530* *.* *1*
new residue 46 
adding: *368* *46* *Leu* *H* *H* *8.340* *.* *1*
old residue 46 
adding: *369* *46* *Leu* *HA* *H* *4.380* *.* *1*
old residue 46 
adding: *370* *46* *Leu* *HB2* *H* *1.620* *.* *2*
old residue 46 
adding: *371* *46* *Leu* *HB3* *H* *1.800* *.* *2*
old residue 46 
adding: *372* *46* *Leu* *HG* *H* *1.610* *.* *1*
old residue 46 
adding: *373* *46* *Leu* *HD1* *H* *0.930* *.* *2*
old residue 46 
adding: *374* *46* *Leu* *HD2* *H* *0.850* *.* *2*
old residue 46 
adding: *375* *46* *Leu* *CA* *C* *55.800* *.* *1*
old residue 46 
adding: *376* *46* *Leu* *CB* *C* *43.120* *.* *1*
old residue 46 
adding: *377* *46* *Leu* *CG* *C* *27.160* *.* *1*
old residue 46 
adding: *378* *46* *Leu* *CD1* *C* *24.880* *.* *1*
old residue 46 
adding: *379* *46* *Leu* *CD2* *C* *23.260* *.* *1*
old residue 46 
adding: *380* *46* *Leu* *N* *N* *120.620* *.* *1*
new residue 47 
adding: *381* *47* *Thr* *H* *H* *7.520* *.* *1*
old residue 47 
adding: *382* *47* *Thr* *HA* *H* *4.020* *.* *1*
old residue 47 
adding: *383* *47* *Thr* *HB* *H* *3.420* *.* *1*
old residue 47 
adding: *384* *47* *Thr* *HG2* *H* *1.230* *.* *1*
old residue 47 
adding: *385* *47* *Thr* *CA* *C* *62.770* *.* *1*
old residue 47 
adding: *386* *47* *Thr* *CB* *C* *68.390* *.* *1*
old residue 47 
adding: *387* *47* *Thr* *CG2* *C* *22.870* *.* *1*
old residue 47 
adding: *388* *47* *Thr* *N* *N* *119.590* *.* *1*
new residue 48 
adding: *389* *48* *Lys* *H* *H* *8.490* *.* *1*
old residue 48 
adding: *390* *48* *Lys* *HA* *H* *4.130* *.* *1*
old residue 48 
adding: *391* *48* *Lys* *HB2* *H* *2.000* *.* *2*
old residue 48 
adding: *392* *48* *Lys* *HB3* *H* *1.780* *.* *2*
old residue 48 
adding: *393* *48* *Lys* *HG2* *H* *1.590* *.* *2*
old residue 48 
adding: *394* *48* *Lys* *HG3* *H* *1.630* *.* *2*
old residue 48 
adding: *395* *48* *Lys* *HE2* *H* *3.020* *.* *2*
old residue 48 
adding: *396* *48* *Lys* *HE3* *H* *2.670* *.* *2*
old residue 48 
adding: *397* *48* *Lys* *CA* *C* *56.880* *.* *1*
old residue 48 
adding: *398* *48* *Lys* *CB* *C* *32.830* *.* *1*
old residue 48 
adding: *399* *48* *Lys* *CG* *C* *25.210* *.* *1*
old residue 48 
adding: *400* *48* *Lys* *CD* *C* *29.270* *.* *1*
old residue 48 
adding: *401* *48* *Lys* *CE* *C* *42.200* *.* *1*
old residue 48 
adding: *402* *48* *Lys* *N* *N* *125.990* *.* *1*
new residue 49 
adding: *403* *49* *Asn* *H* *H* *8.940* *.* *1*
old residue 49 
adding: *404* *49* *Asn* *HA* *H* *4.160* *.* *1*
old residue 49 
adding: *405* *49* *Asn* *HB2* *H* *2.470* *.* *2*
old residue 49 
adding: *406* *49* *Asn* *HB3* *H* *2.670* *.* *2*
old residue 49 
adding: *407* *49* *Asn* *CA* *C* *56.540* *.* *1*
old residue 49 
adding: *408* *49* *Asn* *CB* *C* *38.340* *.* *1*
old residue 49 
adding: *409* *49* *Asn* *N* *N* *122.070* *.* *1*
new residue 50 
adding: *410* *50* *Ala* *H* *H* *8.630* *.* *1*
old residue 50 
adding: *411* *50* *Ala* *HA* *H* *3.830* *.* *1*
old residue 50 
adding: *412* *50* *Ala* *HB* *H* *1.440* *.* *1*
old residue 50 
adding: *413* *50* *Ala* *CA* *C* *55.240* *.* *1*
old residue 50 
adding: *414* *50* *Ala* *CB* *C* *19.220* *.* *1*
old residue 50 
adding: *415* *50* *Ala* *N* *N* *119.450* *.* *1*
new residue 51 
adding: *416* *51* *Val* *H* *H* *6.990* *.* *1*
old residue 51 
adding: *417* *51* *Val* *HA* *H* *3.580* *.* *1*
old residue 51 
adding: *418* *51* *Val* *HB* *H* *2.130* *.* *1*
old residue 51 
adding: *419* *51* *Val* *HG1* *H* *0.830* *.* *2*
old residue 51 
adding: *420* *51* *Val* *HG2* *H* *1.004* *.* *2*
old residue 51 
adding: *421* *51* *Val* *CA* *C* *65.370* *.* *1*
old residue 51 
adding: *422* *51* *Val* *CB* *C* *31.590* *.* *1*
old residue 51 
adding: *423* *51* *Val* *CG1* *C* *21.240* *.* *1*
old residue 51 
adding: *424* *51* *Val* *CG2* *C* *22.440* *.* *1*
old residue 51 
adding: *425* *51* *Val* *N* *N* *117.660* *.* *1*
new residue 52 
adding: *426* *52* *Val* *H* *H* *7.610* *.* *1*
old residue 52 
adding: *427* *52* *Val* *HA* *H* *3.160* *.* *1*
old residue 52 
adding: *428* *52* *Val* *HB* *H* *2.010* *.* *1*
old residue 52 
adding: *429* *52* *Val* *HG1* *H* *0.750* *.* *2*
old residue 52 
adding: *430* *52* *Val* *HG2* *H* *0.900* *.* *2*
old residue 52 
adding: *431* *52* *Val* *CA* *C* *68.180* *.* *1*
old residue 52 
adding: *432* *52* *Val* *CB* *C* *31.570* *.* *1*
old residue 52 
adding: *433* *52* *Val* *CG1* *C* *22.390* *.* *1*
old residue 52 
adding: *434* *52* *Val* *CG2* *C* *22.900* *.* *1*
old residue 52 
adding: *435* *52* *Val* *N* *N* *120.650* *.* *1*
new residue 53 
adding: *436* *53* *Leu* *H* *H* *7.840* *.* *1*
old residue 53 
adding: *437* *53* *Leu* *HA* *H* *3.770* *.* *1*
old residue 53 
adding: *438* *53* *Leu* *HB2* *H* *1.450* *.* *2*
old residue 53 
adding: *439* *53* *Leu* *HB3* *H* *1.570* *.* *2*
old residue 53 
adding: *440* *53* *Leu* *HD1* *H* *0.830* *.* *2*
old residue 53 
adding: *441* *53* *Leu* *HD2* *H* *0.750* *.* *2*
old residue 53 
adding: *442* *53* *Leu* *CA* *C* *58.050* *.* *1*
old residue 53 
adding: *443* *53* *Leu* *CB* *C* *41.250* *.* *1*
old residue 53 
adding: *444* *53* *Leu* *CD1* *C* *24.600* *.* *1*
old residue 53 
adding: *445* *53* *Leu* *CD2* *C* *24.770* *.* *1*
old residue 53 
adding: *446* *53* *Leu* *N* *N* *116.130* *.* *1*
new residue 54 
adding: *447* *54* *Lys* *H* *H* *7.310* *.* *1*
old residue 54 
adding: *448* *54* *Lys* *HA* *H* *3.940* *.* *1*
old residue 54 
adding: *449* *54* *Lys* *HB2* *H* *1.920* *.* *2*
old residue 54 
adding: *450* *54* *Lys* *HB3* *H* *1.740* *.* *2*
old residue 54 
adding: *451* *54* *Lys* *HG2* *H* *1.330* *.* *2*
old residue 54 
adding: *452* *54* *Lys* *HD2* *H* *1.670* *.* *2*
old residue 54 
adding: *453* *54* *Lys* *HD3* *H* *1.760* *.* *2*
old residue 54 
adding: *454* *54* *Lys* *HE2* *H* *3.010* *.* *2*
old residue 54 
adding: *455* *54* *Lys* *CA* *C* *58.550* *.* *1*
old residue 54 
adding: *456* *54* *Lys* *CB* *C* *31.640* *.* *1*
old residue 54 
adding: *457* *54* *Lys* *CG* *C* *24.400* *.* *1*
old residue 54 
adding: *458* *54* *Lys* *CD* *C* *28.180* *.* *1*
old residue 54 
adding: *459* *54* *Lys* *CE* *C* *42.000* *.* *1*
old residue 54 
adding: *460* *54* *Lys* *N* *N* *119.050* *.* *1*
new residue 55 
adding: *461* *55* *Arg* *H* *H* *7.880* *.* *1*
old residue 55 
adding: *462* *55* *Arg* *HA* *H* *3.930* *.* *1*
old residue 55 
adding: *463* *55* *Arg* *CA* *C* *60.700* *.* *1*
old residue 55 
adding: *464* *55* *Arg* *CB* *C* *30.870* *.* *1*
old residue 55 
adding: *465* *55* *Arg* *CG* *C* *27.430* *.* *1*
old residue 55 
adding: *466* *55* *Arg* *N* *N* *117.860* *.* *1*
new residue 56 
adding: *467* *56* *Ile* *H* *H* *7.650* *.* *1*
old residue 56 
adding: *468* *56* *Ile* *HA* *H* *3.240* *.* *1*
old residue 56 
adding: *469* *56* *Ile* *HB* *H* *1.730* *.* *1*
old residue 56 
adding: *470* *56* *Ile* *HG12* *H* *1.940* *.* *1*
old residue 56 
adding: *471* *56* *Ile* *HG2* *H* *0.630* *.* *1*
old residue 56 
adding: *472* *56* *Ile* *HD1* *H* *0.610* *.* *1*
old residue 56 
adding: *473* *56* *Ile* *CA* *C* *65.580* *.* *1*
old residue 56 
adding: *474* *56* *Ile* *CB* *C* *37.560* *.* *1*
old residue 56 
adding: *475* *56* *Ile* *CG1* *C* *29.330* *.* *1*
old residue 56 
adding: *476* *56* *Ile* *CG2* *C* *18.920* *.* *1*
old residue 56 
adding: *477* *56* *Ile* *CD1* *C* *14.180* *.* *1*
old residue 56 
adding: *478* *56* *Ile* *N* *N* *118.030* *.* *1*
new residue 57 
adding: *479* *57* *Gln* *H* *H* *8.520* *.* *1*
old residue 57 
adding: *480* *57* *Gln* *HA* *H* *3.770* *.* *1*
old residue 57 
adding: *481* *57* *Gln* *HG2* *H* *2.500* *.* *2*
old residue 57 
adding: *482* *57* *Gln* *CA* *C* *60.070* *.* *1*
old residue 57 
adding: *483* *57* *Gln* *CB* *C* *27.250* *.* *1*
old residue 57 
adding: *484* *57* *Gln* *CG* *C* *34.750* *.* *1*
old residue 57 
adding: *485* *57* *Gln* *N* *N* *120.060* *.* *1*
new residue 58 
adding: *486* *58* *His* *H* *H* *8.520* *.* *1*
old residue 58 
adding: *487* *58* *His* *HA* *H* *4.282* *.* *1*
old residue 58 
adding: *488* *58* *His* *CA* *C* *56.440* *.* *1*
old residue 58 
adding: *489* *58* *His* *CB* *C* *28.600* *.* *1*
old residue 58 
adding: *490* *58* *His* *N* *N* *118.320* *.* *1*
new residue 59 
adding: *491* *59* *Leu* *H* *H* *7.670* *.* *1*
old residue 59 
adding: *492* *59* *Leu* *HA* *H* *3.340* *.* *1*
old residue 59 
adding: *493* *59* *Leu* *HB2* *H* *-0.060* *.* *2*
old residue 59 
adding: *494* *59* *Leu* *HB3* *H* *1.620* *.* *2*
old residue 59 
adding: *495* *59* *Leu* *HG* *H* *0.900* *.* *1*
old residue 59 
adding: *496* *59* *Leu* *HD1* *H* *0.400* *.* *2*
old residue 59 
adding: *497* *59* *Leu* *HD2* *H* *-0.120* *.* *2*
old residue 59 
adding: *498* *59* *Leu* *CA* *C* *58.430* *.* *1*
old residue 59 
adding: *499* *59* *Leu* *CB* *C* *39.670* *.* *1*
old residue 59 
adding: *500* *59* *Leu* *CG* *C* *26.050* *.* *1*
old residue 59 
adding: *501* *59* *Leu* *CD1* *C* *21.400* *.* *1*
old residue 59 
adding: *502* *59* *Leu* *CD2* *C* *26.400* *.* *1*
old residue 59 
adding: *503* *59* *Leu* *N* *N* *123.430* *.* *1*
new residue 60 
adding: *504* *60* *Asp* *H* *H* *8.490* *.* *1*
old residue 60 
adding: *505* *60* *Asp* *HA* *H* *3.530* *.* *1*
old residue 60 
adding: *506* *60* *Asp* *HB2* *H* *1.180* *.* *2*
old residue 60 
adding: *507* *60* *Asp* *HB3* *H* *2.320* *.* *2*
old residue 60 
adding: *508* *60* *Asp* *CA* *C* *59.290* *.* *1*
old residue 60 
adding: *509* *60* *Asp* *CB* *C* *42.470* *.* *1*
old residue 60 
adding: *510* *60* *Asp* *N* *N* *120.620* *.* *1*
new residue 61 
adding: *511* *61* *Glu* *H* *H* *8.410* *.* *1*
old residue 61 
adding: *512* *61* *Glu* *HA* *H* *4.190* *.* *1*
old residue 61 
adding: *513* *61* *Glu* *HB2* *H* *2.380* *.* *2*
old residue 61 
adding: *514* *61* *Glu* *HG2* *H* *2.200* *.* *2*
old residue 61 
adding: *515* *61* *Glu* *HG3* *H* *2.540* *.* *2*
old residue 61 
adding: *516* *61* *Glu* *CA* *C* *59.460* *.* *1*
old residue 61 
adding: *517* *61* *Glu* *CB* *C* *29.580* *.* *1*
old residue 61 
adding: *518* *61* *Glu* *CG* *C* *36.440* *.* *1*
old residue 61 
adding: *519* *61* *Glu* *N* *N* *118.910* *.* *1*
new residue 62 
adding: *520* *62* *Ala* *H* *H* *8.390* *.* *1*
old residue 62 
adding: *521* *62* *Ala* *HA* *H* *3.880* *.* *1*
old residue 62 
adding: *522* *62* *Ala* *HB* *H* *1.810* *.* *1*
old residue 62 
adding: *523* *62* *Ala* *CA* *C* *55.540* *.* *1*
old residue 62 
adding: *524* *62* *Ala* *CB* *C* *21.730* *.* *1*
old residue 62 
adding: *525* *62* *Ala* *N* *N* *121.940* *.* *1*
new residue 63 
adding: *526* *63* *Tyr* *H* *H* *9.000* *.* *1*
old residue 63 
adding: *527* *63* *Tyr* *HA* *H* *3.690* *.* *1*
old residue 63 
adding: *528* *63* *Tyr* *HB2* *H* *3.730* *.* *2*
old residue 63 
adding: *529* *63* *Tyr* *HB3* *H* *2.940* *.* *2*
old residue 63 
adding: *530* *63* *Tyr* *HD1* *H* *6.950* *.* *3*
old residue 63 
adding: *531* *63* *Tyr* *HE1* *H* *6.680* *.* *3*
old residue 63 
adding: *532* *63* *Tyr* *CA* *C* *62.120* *.* *1*
old residue 63 
adding: *533* *63* *Tyr* *CB* *C* *38.680* *.* *1*
old residue 63 
adding: *534* *63* *Tyr* *CD1* *C* *133.400* *.* *3*
old residue 63 
adding: *535* *63* *Tyr* *CE1* *C* *117.900* *.* *3*
old residue 63 
adding: *536* *63* *Tyr* *N* *N* *118.960* *.* *1*
new residue 64 
adding: *537* *64* *Asn* *H* *H* *8.280* *.* *1*
old residue 64 
adding: *538* *64* *Asn* *HA* *H* *4.180* *.* *1*
old residue 64 
adding: *539* *64* *Asn* *HB2* *H* *2.470* *.* *2*
old residue 64 
adding: *540* *64* *Asn* *HB3* *H* *2.670* *.* *2*
old residue 64 
adding: *541* *64* *Asn* *CA* *C* *56.510* *.* *1*
old residue 64 
adding: *542* *64* *Asn* *CB* *C* *38.120* *.* *1*
old residue 64 
adding: *543* *64* *Asn* *N* *N* *117.640* *.* *1*
new residue 65 
adding: *544* *65* *Lys* *H* *H* *8.190* *.* *1*
old residue 65 
adding: *545* *65* *Lys* *HA* *H* *4.000* *.* *1*
old residue 65 
adding: *546* *65* *Lys* *HB2* *H* *1.950* *.* *2*
old residue 65 
adding: *547* *65* *Lys* *CA* *C* *59.930* *.* *1*
old residue 65 
adding: *548* *65* *Lys* *CB* *C* *32.530* *.* *1*
old residue 65 
adding: *549* *65* *Lys* *CG* *C* *26.020* *.* *1*
old residue 65 
adding: *550* *65* *Lys* *N* *N* *120.650* *.* *1*
new residue 66 
adding: *551* *66* *Val* *H* *H* *8.460* *.* *1*
old residue 66 
adding: *552* *66* *Val* *HA* *H* *3.670* *.* *1*
old residue 66 
adding: *553* *66* *Val* *HB* *H* *1.950* *.* *1*
old residue 66 
adding: *554* *66* *Val* *HG1* *H* *0.830* *.* *2*
old residue 66 
adding: *555* *66* *Val* *HG2* *H* *1.140* *.* *2*
old residue 66 
adding: *556* *66* *Val* *CA* *C* *65.860* *.* *1*
old residue 66 
adding: *557* *66* *Val* *CB* *C* *32.210* *.* *1*
old residue 66 
adding: *558* *66* *Val* *CG1* *C* *22.300* *.* *1*
old residue 66 
adding: *559* *66* *Val* *CG2* *C* *25.430* *.* *1*
old residue 66 
adding: *560* *66* *Val* *N* *N* *120.820* *.* *1*
new residue 67 
adding: *561* *67* *Lys* *H* *H* *8.520* *.* *1*
old residue 67 
adding: *562* *67* *Lys* *HA* *H* *3.560* *.* *1*
old residue 67 
adding: *563* *67* *Lys* *HB2* *H* *1.480* *.* *2*
old residue 67 
adding: *564* *67* *Lys* *HB3* *H* *1.750* *.* *2*
old residue 67 
adding: *565* *67* *Lys* *HG2* *H* *1.340* *.* *2*
old residue 67 
adding: *566* *67* *Lys* *HG3* *H* *1.230* *.* *2*
old residue 67 
adding: *567* *67* *Lys* *HD2* *H* *1.630* *.* *2*
old residue 67 
adding: *568* *67* *Lys* *CA* *C* *59.580* *.* *1*
old residue 67 
adding: *569* *67* *Lys* *CB* *C* *32.360* *.* *1*
old residue 67 
adding: *570* *67* *Lys* *CG* *C* *24.890* *.* *1*
old residue 67 
adding: *571* *67* *Lys* *CD* *C* *29.920* *.* *1*
old residue 67 
adding: *572* *67* *Lys* *N* *N* *120.740* *.* *1*
new residue 68 
adding: *573* *68* *Arg* *H* *H* *7.460* *.* *1*
old residue 68 
adding: *574* *68* *Arg* *HA* *H* *4.200* *.* *1*
old residue 68 
adding: *575* *68* *Arg* *HB2* *H* *1.800* *.* *2*
old residue 68 
adding: *576* *68* *Arg* *HB3* *H* *1.900* *.* *2*
old residue 68 
adding: *577* *68* *Arg* *HG2* *H* *1.710* *.* *2*
old residue 68 
adding: *578* *68* *Arg* *HG3* *H* *1.780* *.* *2*
old residue 68 
adding: *579* *68* *Arg* *HD2* *H* *3.200* *.* *2*
old residue 68 
adding: *580* *68* *Arg* *CA* *C* *57.560* *.* *1*
old residue 68 
adding: *581* *68* *Arg* *CB* *C* *30.650* *.* *1*
old residue 68 
adding: *582* *68* *Arg* *CG* *C* *27.400* *.* *1*
old residue 68 
adding: *583* *68* *Arg* *CD* *C* *43.600* *.* *1*
old residue 68 
adding: *584* *68* *Arg* *N* *N* *116.250* *.* *1*
new residue 69 
adding: *585* *69* *Gly* *H* *H* *7.670* *.* *1*
old residue 69 
adding: *586* *69* *Gly* *HA2* *H* *3.960* *.* *2*
old residue 69 
adding: *587* *69* *Gly* *CA* *C* *45.680* *.* *1*
old residue 69 
adding: *588* *69* *Gly* *N* *N* *107.370* *.* *1*
new residue 70 
adding: *589* *70* *Glu* *H* *H* *8.150* *.* *1*
old residue 70 
adding: *590* *70* *Glu* *HA* *H* *4.320* *.* *1*
old residue 70 
adding: *591* *70* *Glu* *HB2* *H* *2.080* *.* *2*
old residue 70 
adding: *592* *70* *Glu* *HB3* *H* *2.240* *.* *2*
old residue 70 
adding: *593* *70* *Glu* *HG2* *H* *2.080* *.* *2*
old residue 70 
adding: *594* *70* *Glu* *HG3* *H* *2.260* *.* *2*
old residue 70 
adding: *595* *70* *Glu* *CA* *C* *56.310* *.* *1*
old residue 70 
adding: *596* *70* *Glu* *CB* *C* *30.390* *.* *1*
old residue 70 
adding: *597* *70* *Glu* *CG* *C* *36.110* *.* *1*
old residue 70 
adding: *598* *70* *Glu* *N* *N* *120.290* *.* *1*
new residue 71 
adding: *599* *71* *Ser* *H* *H* *8.250* *.* *1*
old residue 71 
adding: *600* *71* *Ser* *HA* *H* *4.410* *.* *1*
old residue 71 
adding: *601* *71* *Ser* *HB2* *H* *3.890* *.* *2*
old residue 71 
adding: *602* *71* *Ser* *HB3* *H* *3.850* *.* *2*
old residue 71 
adding: *603* *71* *Ser* *CA* *C* *58.570* *.* *1*
old residue 71 
adding: *604* *71* *Ser* *CB* *C* *63.840* *.* *1*
old residue 71 
adding: *605* *71* *Ser* *N* *N* *116.970* *.* *1*
new residue 72 
adding: *606* *72* *Lys* *H* *H* *8.320* *.* *1*
old residue 72 
adding: *607* *72* *Lys* *HA* *H* *4.265* *.* *1*
old residue 72 
adding: *608* *72* *Lys* *HB2* *H* *1.760* *.* *2*
old residue 72 
adding: *609* *72* *Lys* *HB3* *H* *1.840* *.* *2*
old residue 72 
adding: *610* *72* *Lys* *HG2* *H* *1.390* *.* *2*
old residue 72 
adding: *611* *72* *Lys* *HG3* *H* *1.440* *.* *2*
old residue 72 
adding: *612* *72* *Lys* *HD2* *H* *1.670* *.* *2*
old residue 72 
adding: *613* *72* *Lys* *CA* *C* *56.690* *.* *1*
old residue 72 
adding: *614* *72* *Lys* *CB* *C* *32.820* *.* *1*
old residue 72 
adding: *615* *72* *Lys* *CG* *C* *24.660* *.* *1*
old residue 72 
adding: *616* *72* *Lys* *CD* *C* *28.970* *.* *1*
old residue 72 
adding: *617* *72* *Lys* *CE* *C* *42.290* *.* *1*
old residue 72 
adding: *618* *72* *Lys* *N* *N* *123.140* *.* *1*
new residue 73 
adding: *619* *73* *Leu* *H* *H* *8.070* *.* *1*
old residue 73 
adding: *620* *73* *Leu* *HA* *H* *4.250* *.* *1*
old residue 73 
adding: *621* *73* *Leu* *HB2* *H* *1.490* *.* *2*
old residue 73 
adding: *622* *73* *Leu* *HB3* *H* *1.570* *.* *2*
old residue 73 
adding: *623* *73* *Leu* *HG* *H* *1.550* *.* *1*
old residue 73 
adding: *624* *73* *Leu* *HD1* *H* *0.880* *.* *2*
old residue 73 
adding: *625* *73* *Leu* *HD2* *H* *0.820* *.* *2*
old residue 73 
adding: *626* *73* *Leu* *CA* *C* *55.210* *.* *1*
old residue 73 
adding: *627* *73* *Leu* *CB* *C* *42.230* *.* *1*
old residue 73 
adding: *628* *73* *Leu* *CG* *C* *26.880* *.* *1*
old residue 73 
adding: *629* *73* *Leu* *CD1* *C* *24.860* *.* *1*
old residue 73 
adding: *630* *73* *Leu* *CD2* *C* *23.410* *.* *1*
old residue 73 
adding: *631* *73* *Leu* *N* *N* *122.390* *.* *1*
new residue 74 
adding: *632* *74* *Glu* *H* *H* *8.130* *.* *1*
old residue 74 
adding: *633* *74* *Glu* *HA* *H* *4.180* *.* *1*
old residue 74 
adding: *634* *74* *Glu* *HB2* *H* *1.870* *.* *2*
old residue 74 
adding: *635* *74* *Glu* *HG2* *H* *2.150* *.* *2*
old residue 74 
adding: *636* *74* *Glu* *HG3* *H* *2.190* *.* *2*
old residue 74 
adding: *637* *74* *Glu* *CA* *C* *56.280* *.* *1*
old residue 74 
adding: *638* *74* *Glu* *CB* *C* *30.460* *.* *1*
old residue 74 
adding: *639* *74* *Glu* *CG* *C* *36.060* *.* *1*
old residue 74 
adding: *640* *74* *Glu* *N* *N* *121.430* *.* *1*
new residue 75 
adding: *641* *75* *His* *H* *H* *8.410* *.* *1*
old residue 75 
adding: *642* *75* *His* *HA* *H* *4.640* *.* *1*
old residue 75 
adding: *643* *75* *His* *HB2* *H* *3.210* *.* *2*
old residue 75 
adding: *644* *75* *His* *CA* *C* *55.480* *.* *1*
old residue 75 
adding: *645* *75* *His* *CB* *C* *29.420* *.* *1*
old residue 75 
adding: *646* *75* *His* *N* *N* *119.470* *.* *1*
new residue 76 
adding: *647* *76* *His* *H* *H* *8.300* *.* *1*
old residue 76 
adding: *648* *76* *His* *HA* *H* *4.450* *.* *1*
old residue 76 
adding: *649* *76* *His* *HB2* *H* *3.126* *.* *2*
old residue 76 
adding: *650* *76* *His* *HB3* *H* *3.239* *.* *2*
old residue 76 
adding: *651* *76* *His* *CA* *C* *57.150* *.* *1*
old residue 76 
adding: *652* *76* *His* *CB* *C* *29.710* *.* *1*
old residue 76 
adding: *653* *76* *His* *N* *N* *125.500* *.* *1*
seqcode size is : 76
seqcode: 33 	shift counts are : 10
seqcode: 32 	shift counts are : 6
seqcode: 63 	shift counts are : 11
seqcode: 21 	shift counts are : 7
seqcode: 71 	shift counts are : 7
seqcode: 7 	shift counts are : 10
seqcode: 26 	shift counts are : 12
seqcode: 18 	shift counts are : 13
seqcode: 72 	shift counts are : 13
seqcode: 16 	shift counts are : 8
seqcode: 44 	shift counts are : 7
seqcode: 55 	shift counts are : 6
seqcode: 74 	shift counts are : 9
seqcode: 27 	shift counts are : 12
seqcode: 57 	shift counts are : 7
seqcode: 61 	shift counts are : 9
seqcode: 20 	shift counts are : 12
seqcode: 10 	shift counts are : 12
seqcode: 31 	shift counts are : 4
seqcode: 35 	shift counts are : 8
seqcode: 11 	shift counts are : 12
seqcode: 48 	shift counts are : 14
seqcode: 65 	shift counts are : 7
seqcode: 29 	shift counts are : 6
seqcode: 50 	shift counts are : 6
seqcode: 39 	shift counts are : 6
seqcode: 64 	shift counts are : 7
seqcode: 58 	shift counts are : 5
seqcode: 41 	shift counts are : 11
seqcode: 12 	shift counts are : 9
seqcode: 15 	shift counts are : 9
seqcode: 52 	shift counts are : 10
seqcode: 60 	shift counts are : 7
seqcode: 56 	shift counts are : 12
seqcode: 66 	shift counts are : 10
seqcode: 45 	shift counts are : 7
seqcode: 73 	shift counts are : 13
seqcode: 76 	shift counts are : 7
seqcode: 19 	shift counts are : 7
seqcode: 62 	shift counts are : 6
seqcode: 54 	shift counts are : 14
seqcode: 67 	shift counts are : 12
seqcode: 70 	shift counts are : 10
seqcode: 68 	shift counts are : 12
seqcode: 2 	shift counts are : 5
seqcode: 17 	shift counts are : 7
seqcode: 1 	shift counts are : 2
seqcode: 30 	shift counts are : 8
seqcode: 25 	shift counts are : 7
seqcode: 28 	shift counts are : 4
seqcode: 75 	shift counts are : 6
seqcode: 40 	shift counts are : 8
seqcode: 14 	shift counts are : 13
seqcode: 69 	shift counts are : 4
seqcode: 59 	shift counts are : 13
seqcode: 49 	shift counts are : 7
seqcode: 24 	shift counts are : 10
seqcode: 53 	shift counts are : 11
seqcode: 22 	shift counts are : 9
seqcode: 42 	shift counts are : 10
seqcode: 46 	shift counts are : 13
seqcode: 23 	shift counts are : 5
seqcode: 13 	shift counts are : 7
seqcode: 6 	shift counts are : 7
seqcode: 3 	shift counts are : 7
seqcode: 36 	shift counts are : 5
seqcode: 9 	shift counts are : 10
seqcode: 51 	shift counts are : 10
seqcode: 47 	shift counts are : 8
seqcode: 8 	shift counts are : 4
seqcode: 38 	shift counts are : 7
seqcode: 4 	shift counts are : 13
seqcode: 34 	shift counts are : 10
seqcode: 37 	shift counts are : 10
seqcode: 43 	shift counts are : 9
seqcode: 5 	shift counts are : 2
setting ambig code at 45 for HG2 to 2
setting ambig code at 44 for HG1 to 2
setting ambig code at 333 for HD2 to 2
setting ambig code at 434 for HG2 to 2
setting ambig code at 433 for HG1 to 2
setting ambig code at 559 for HG2 to 2
setting ambig code at 558 for HG1 to 2
setting ambig code at 630 for HD2 to 2
setting ambig code at 629 for HD1 to 2
setting ambig code at 112 for HD2 to 2
setting ambig code at 111 for HD1 to 2
setting ambig code at 502 for HD2 to 2
setting ambig code at 501 for HD1 to 2
setting ambig code at 445 for HD2 to 2
setting ambig code at 444 for HD1 to 2
setting ambig code at 343 for HG2 to 2
setting ambig code at 342 for HG1 to 2
setting ambig code at 379 for HD2 to 2
setting ambig code at 378 for HD1 to 2
setting ambig code at 424 for HG2 to 2
setting ambig code at 423 for HG1 to 2
setting ambig code at 308 for HG2 to 2
setting ambig code at 26 for HD2 to 2
setting ambig code at 25 for HD1 to 2
setting ambig code at 301 for HG2 to 2
setting ambig code at 300 for HG1 to 2
1 1 MET HE H 1.900 . 1 
2 1 MET CE C 16.510 . 1 
3 2 SER HA H 4.100 . 1 
4 2 SER HB2 H 3.740 . 2 
5 2 SER HB3 H 3.940 . 2 
6 2 SER CA C 57.480 . 1 
7 2 SER CB C 63.140 . 1 
8 3 GLU H H 8.780 . 1 
9 3 GLU HA H 4.150 . 1 
10 3 GLU HG2 H 2.260 . 2 
11 3 GLU CA C 55.800 . 1 
12 3 GLU CB C 30.220 . 1 
13 3 GLU CG C 35.950 . 1 
14 3 GLU N N 122.130 . 1 
15 4 LEU H H 8.510 . 1 
16 4 LEU HA H 2.580 . 1 
17 4 LEU HB2 H 0.470 . 2 
18 4 LEU HB3 H 1.070 . 2 
19 4 LEU HG H 0.480 . 1 
20 4 LEU HD1 H 0.270 . 2 
21 4 LEU HD2 H 0.370 . 2 
22 4 LEU CA C 56.840 . 1 
23 4 LEU CB C 41.550 . 1 
24 4 LEU CG C 26.050 . 1 
25 4 LEU CD1 C 23.820 . 2 
26 4 LEU CD2 C 24.370 . 2 
27 4 LEU N N 128.210 . 1 
28 5 PHE HB2 H 3.430 . 2 
29 5 PHE CB C 36.040 . 1 
30 6 SER H H 7.450 . 1 
31 6 SER HA H 4.290 . 1 
32 6 SER HB2 H 3.670 . 2 
33 6 SER HB3 H 3.860 . 2 
34 6 SER CA C 58.050 . 1 
35 6 SER CB C 65.770 . 1 
36 6 SER N N 114.000 . 1 
37 7 VAL H H 9.200 . 1 
38 7 VAL HA H 4.070 . 1 
39 7 VAL HB H 2.320 . 1 
40 7 VAL HG1 H 0.990 . 2 
41 7 VAL HG2 H 1.220 . 2 
42 7 VAL CA C 69.820 . 1 
43 7 VAL CB C 29.440 . 1 
44 7 VAL CG1 C 21.220 . 2 
45 7 VAL CG2 C 23.240 . 2 
46 7 VAL N N 119.920 . 1 
47 8 PRO HA H 4.200 . 1 
48 8 PRO HB2 H 2.200 . 2 
49 8 PRO CA C 66.280 . 1 
50 8 PRO CB C 30.950 . 1 
51 9 TYR H H 7.260 . 1 
52 9 TYR HA H 4.630 . 1 
53 9 TYR HB2 H 3.000 . 2 
54 9 TYR HD1 H 6.360 . 3 
55 9 TYR HE1 H 6.560 . 3 
56 9 TYR CA C 60.800 . 1 
57 9 TYR CB C 37.800 . 1 
58 9 TYR CD1 C 132.700 . 3 
59 9 TYR CE1 C 119.000 . 3 
60 9 TYR N N 118.680 . 1 
61 10 PHE H H 8.500 . 1 
62 10 PHE HA H 4.630 . 1 
63 10 PHE HB2 H 3.160 . 2 
64 10 PHE HD1 H 6.920 . 3 
65 10 PHE HE1 H 7.300 . 3 
66 10 PHE HZ H 7.870 . 1 
67 10 PHE CA C 62.200 . 1 
68 10 PHE CB C 39.710 . 1 
69 10 PHE CD1 C 130.400 . 3 
70 10 PHE CE1 C 131.700 . 3 
71 10 PHE CZ C 132.600 . 1 
72 10 PHE N N 121.130 . 1 
73 11 ILE H H 8.990 . 1 
74 11 ILE HA H 3.520 . 1 
75 11 ILE HB H 1.990 . 1 
76 11 ILE HG12 H 0.830 . 1 
77 11 ILE HG2 H 0.840 . 1 
78 11 ILE HD1 H 0.880 . 1 
79 11 ILE CA C 67.240 . 1 
80 11 ILE CB C 37.970 . 1 
81 11 ILE CG1 C 21.360 . 1 
82 11 ILE CG2 C 16.360 . 1 
83 11 ILE CD1 C 14.500 . 1 
84 11 ILE N N 122.680 . 1 
85 12 GLU H H 7.990 . 1 
86 12 GLU HA H 3.940 . 1 
87 12 GLU HB2 H 1.910 . 2 
88 12 GLU HB3 H 2.060 . 2 
89 12 GLU HG2 H 2.260 . 2 
90 12 GLU CA C 59.200 . 1 
91 12 GLU CB C 28.910 . 1 
92 12 GLU CG C 35.590 . 1 
93 12 GLU N N 117.840 . 1 
94 13 ASN H H 7.750 . 1 
95 13 ASN HA H 4.270 . 1 
96 13 ASN HB2 H 2.370 . 2 
97 13 ASN HB3 H 2.610 . 2 
98 13 ASN CA C 57.170 . 1 
99 13 ASN CB C 39.850 . 1 
100 13 ASN N N 117.500 . 1 
101 14 LEU H H 8.930 . 1 
102 14 LEU HA H 3.520 . 1 
103 14 LEU HB2 H 2.316 . 2 
104 14 LEU HB3 H 1.180 . 2 
105 14 LEU HG H 1.830 . 1 
106 14 LEU HD1 H 0.960 . 2 
107 14 LEU HD2 H 1.150 . 2 
108 14 LEU CA C 59.300 . 1 
109 14 LEU CB C 42.860 . 1 
110 14 LEU CG C 26.400 . 1 
111 14 LEU CD1 C 26.140 . 2 
112 14 LEU CD2 C 26.860 . 2 
113 14 LEU N N 124.290 . 1 
114 15 LYS H H 8.210 . 1 
115 15 LYS HA H 3.860 . 1 
116 15 LYS HB2 H 1.830 . 2 
117 15 LYS CA C 60.690 . 1 
118 15 LYS CB C 31.940 . 1 
119 15 LYS CG C 26.170 . 1 
120 15 LYS CD C 29.410 . 1 
121 15 LYS CE C 41.850 . 1 
122 15 LYS N N 117.580 . 1 
123 16 GLN H H 7.990 . 1 
124 16 GLN HA H 4.010 . 1 
125 16 GLN HG2 H 2.280 . 2 
126 16 GLN HG3 H 2.450 . 2 
127 16 GLN CA C 58.910 . 1 
128 16 GLN CB C 28.410 . 1 
129 16 GLN CG C 34.010 . 1 
130 16 GLN N N 118.450 . 1 
131 17 HIS H H 7.930 . 1 
132 17 HIS HA H 4.020 . 1 
133 17 HIS HB2 H 3.206 . 2 
134 17 HIS HB3 H 2.920 . 2 
135 17 HIS CA C 60.620 . 1 
136 17 HIS CB C 28.270 . 1 
137 17 HIS N N 117.300 . 1 
138 18 ILE H H 8.090 . 1 
139 18 ILE HA H 3.530 . 1 
140 18 ILE HB H 0.910 . 1 
141 18 ILE HG12 H 1.740 . 1 
142 18 ILE HG13 H 1.930 . 1 
143 18 ILE HG2 H 0.890 . 1 
144 18 ILE HD1 H 0.760 . 1 
145 18 ILE CA C 65.650 . 1 
146 18 ILE CB C 38.780 . 1 
147 18 ILE CG1 C 25.720 . 1 
148 18 ILE CG2 C 17.220 . 1 
149 18 ILE CD1 C 14.800 . 1 
150 18 ILE N N 120.340 . 1 
151 19 GLU H H 7.690 . 1 
152 19 GLU HA H 3.980 . 1 
153 19 GLU HG2 H 2.390 . 2 
154 19 GLU CA C 58.520 . 1 
155 19 GLU CB C 29.390 . 1 
156 19 GLU CG C 36.000 . 1 
157 19 GLU N N 118.010 . 1 
158 20 MET H H 7.740 . 1 
159 20 MET HA H 4.310 . 1 
160 20 MET HB2 H 1.950 . 2 
161 20 MET HB3 H 2.120 . 2 
162 20 MET HG2 H 2.560 . 2 
163 20 MET HG3 H 2.660 . 2 
164 20 MET HE H 1.940 . 1 
165 20 MET CA C 56.700 . 1 
166 20 MET CB C 33.270 . 1 
167 20 MET CG C 32.100 . 1 
168 20 MET CE C 16.630 . 1 
169 20 MET N N 115.510 . 1 
170 21 ASN H H 7.380 . 1 
171 21 ASN HA H 5.015 . 1 
172 21 ASN HB2 H 2.540 . 2 
173 21 ASN HB3 H 2.820 . 2 
174 21 ASN CA C 52.570 . 1 
175 21 ASN CB C 39.660 . 1 
176 21 ASN N N 119.190 . 1 
177 22 GLN H H 8.190 . 1 
178 22 GLN HA H 4.250 . 1 
179 22 GLN HB2 H 2.050 . 2 
180 22 GLN HB3 H 2.260 . 2 
181 22 GLN HG2 H 2.480 . 2 
182 22 GLN CA C 57.900 . 1 
183 22 GLN CB C 28.980 . 1 
184 22 GLN CG C 34.530 . 1 
185 22 GLN N N 118.880 . 1 
186 23 SER H H 8.310 . 1 
187 23 SER HA H 3.880 . 1 
188 23 SER CA C 59.440 . 1 
189 23 SER CB C 63.190 . 1 
190 23 SER N N 113.870 . 1 
191 24 GLU H H 7.840 . 1 
192 24 GLU HA H 4.550 . 1 
193 24 GLU HB2 H 2.000 . 2 
194 24 GLU HB3 H 2.140 . 2 
195 24 GLU HG2 H 2.370 . 2 
196 24 GLU HG3 H 2.430 . 2 
197 24 GLU CA C 54.920 . 1 
198 24 GLU CB C 31.620 . 1 
199 24 GLU CG C 35.580 . 1 
200 24 GLU N N 121.680 . 1 
201 25 ASP H H 8.480 . 1 
202 25 ASP HA H 4.460 . 1 
203 25 ASP HB2 H 2.470 . 2 
204 25 ASP HB3 H 2.580 . 2 
205 25 ASP CA C 54.870 . 1 
206 25 ASP CB C 42.500 . 1 
207 25 ASP N N 122.420 . 1 
208 26 LYS H H 8.360 . 1 
209 26 LYS HA H 4.030 . 1 
210 26 LYS HB2 H 1.910 . 2 
211 26 LYS HB3 H 1.700 . 2 
212 26 LYS HG2 H 1.280 . 2 
213 26 LYS HG3 H 1.320 . 2 
214 26 LYS CA C 60.080 . 1 
215 26 LYS CB C 33.160 . 1 
216 26 LYS CG C 24.700 . 1 
217 26 LYS CD C 29.730 . 1 
218 26 LYS CE C 39.980 . 1 
219 26 LYS N N 124.950 . 1 
220 27 ILE H H 8.080 . 1 
221 27 ILE HA H 3.880 . 1 
222 27 ILE HB H 1.850 . 1 
223 27 ILE HG12 H 1.380 . 1 
224 27 ILE HG2 H 0.760 . 1 
225 27 ILE HD1 H 0.790 . 1 
226 27 ILE CA C 62.530 . 1 
227 27 ILE CB C 36.440 . 1 
228 27 ILE CG1 C 28.400 . 1 
229 27 ILE CG2 C 18.100 . 1 
230 27 ILE CD1 C 11.360 . 1 
231 27 ILE N N 118.410 . 1 
232 28 HIS H H 7.500 . 1 
233 28 HIS CA C 57.730 . 1 
234 28 HIS CB C 29.060 . 1 
235 28 HIS N N 119.010 . 1 
236 29 ALA H H 8.390 . 1 
237 29 ALA HA H 4.330 . 1 
238 29 ALA HB H 1.520 . 1 
239 29 ALA CA C 55.330 . 1 
240 29 ALA CB C 18.400 . 1 
241 29 ALA N N 123.920 . 1 
242 30 MET H H 8.570 . 1 
243 30 MET HA H 3.890 . 1 
244 30 MET HE H 2.070 . 1 
245 30 MET CA C 60.300 . 1 
246 30 MET CB C 34.850 . 1 
247 30 MET CG C 32.490 . 1 
248 30 MET CE C 16.940 . 1 
249 30 MET N N 118.300 . 1 
250 31 ASN H H 8.920 . 1 
251 31 ASN CA C 55.690 . 1 
252 31 ASN CB C 37.450 . 1 
253 31 ASN N N 117.930 . 1 
254 32 SER H H 8.220 . 1 
255 32 SER HA H 4.150 . 1 
256 32 SER HB2 H 3.980 . 2 
257 32 SER CA C 61.290 . 1 
258 32 SER CB C 62.820 . 1 
259 32 SER N N 116.470 . 1 
260 33 TYR H H 7.660 . 1 
261 33 TYR HB2 H 2.860 . 2 
262 33 TYR HB3 H 3.990 . 2 
263 33 TYR HD1 H 6.590 . 3 
264 33 TYR HE1 H 6.600 . 3 
265 33 TYR CA C 61.290 . 1 
266 33 TYR CB C 37.730 . 1 
267 33 TYR CD1 C 132.200 . 3 
268 33 TYR CE1 C 118.200 . 3 
269 33 TYR N N 122.400 . 1 
270 34 TYR H H 8.580 . 1 
271 34 TYR HA H 3.430 . 1 
272 34 TYR HB2 H 1.910 . 2 
273 34 TYR HD1 H 6.650 . 3 
274 34 TYR HE1 H 6.420 . 3 
275 34 TYR CA C 60.860 . 1 
276 34 TYR CB C 40.090 . 1 
277 34 TYR CD1 C 132.900 . 3 
278 34 TYR CE1 C 117.600 . 3 
279 34 TYR N N 119.850 . 1 
280 35 ARG H H 7.700 . 1 
281 35 ARG HA H 4.010 . 1 
282 35 ARG HB2 H 2.450 . 2 
283 35 ARG HB3 H 2.270 . 2 
284 35 ARG CA C 59.340 . 1 
285 35 ARG CB C 28.090 . 1 
286 35 ARG CG C 24.110 . 1 
287 35 ARG N N 117.830 . 1 
288 36 SER H H 7.310 . 1 
289 36 SER HA H 3.880 . 1 
290 36 SER CA C 61.660 . 1 
291 36 SER CB C 62.990 . 1 
292 36 SER N N 112.890 . 1 
293 37 VAL H H 7.830 . 1 
294 37 VAL HA H 3.560 . 1 
295 37 VAL HB H 1.560 . 1 
296 37 VAL HG1 H 0.800 . 2 
297 37 VAL HG2 H 0.480 . 2 
298 37 VAL CA C 66.220 . 1 
299 37 VAL CB C 31.620 . 1 
300 37 VAL CG1 C 22.930 . 2 
301 37 VAL CG2 C 22.610 . 2 
302 37 VAL N N 121.970 . 1 
303 38 VAL H H 8.050 . 1 
304 38 VAL HA H 3.050 . 1 
305 38 VAL HG2 H 0.700 . 2 
306 38 VAL CA C 68.440 . 1 
307 38 VAL CB C 30.990 . 1 
308 38 VAL CG2 C 25.440 . 2 
309 38 VAL N N 120.590 . 1 
310 39 SER H H 7.810 . 1 
311 39 SER HA H 3.940 . 1 
312 39 SER HB2 H 3.730 . 2 
313 39 SER CA C 61.490 . 1 
314 39 SER CB C 63.590 . 1 
315 39 SER N N 110.480 . 1 
316 40 THR H H 7.290 . 1 
317 40 THR HA H 3.920 . 1 
318 40 THR HB H 4.290 . 1 
319 40 THR HG2 H 1.260 . 1 
320 40 THR CA C 66.280 . 1 
321 40 THR CB C 69.180 . 1 
322 40 THR CG2 C 21.810 . 1 
323 40 THR N N 113.390 . 1 
324 41 LEU H H 8.510 . 1 
325 41 LEU HA H 4.040 . 1 
326 41 LEU HB2 H 1.090 . 2 
327 41 LEU HB3 H 1.860 . 2 
328 41 LEU HG H 0.560 . 1 
329 41 LEU HD2 H 0.480 . 2 
330 41 LEU CA C 58.130 . 1 
331 41 LEU CB C 41.970 . 1 
332 41 LEU CG C 26.980 . 1 
333 41 LEU CD2 C 22.800 . 2 
334 41 LEU N N 122.040 . 1 
335 42 VAL H H 8.260 . 1 
336 42 VAL HA H 4.090 . 1 
337 42 VAL HB H 2.240 . 1 
338 42 VAL HG1 H 0.840 . 2 
339 42 VAL HG2 H 0.920 . 2 
340 42 VAL CA C 63.400 . 1 
341 42 VAL CB C 31.260 . 1 
342 42 VAL CG1 C 21.690 . 2 
343 42 VAL CG2 C 19.660 . 2 
344 42 VAL N N 108.850 . 1 
345 43 GLN H H 7.150 . 1 
346 43 GLN HA H 4.350 . 1 
347 43 GLN HB2 H 2.340 . 2 
348 43 GLN HB3 H 2.000 . 2 
349 43 GLN HG2 H 2.590 . 2 
350 43 GLN CA C 55.760 . 1 
351 43 GLN CB C 28.940 . 1 
352 43 GLN CG C 33.960 . 1 
353 43 GLN N N 118.250 . 1 
354 44 ASP H H 6.940 . 1 
355 44 ASP HA H 4.440 . 1 
356 44 ASP HB2 H 2.680 . 2 
357 44 ASP HB3 H 3.010 . 2 
358 44 ASP CA C 54.080 . 1 
359 44 ASP CB C 40.800 . 1 
360 44 ASP N N 119.450 . 1 
361 45 GLN H H 8.710 . 1 
362 45 GLN HA H 4.360 . 1 
363 45 GLN HG2 H 2.430 . 2 
364 45 GLN CA C 55.960 . 1 
365 45 GLN CB C 29.440 . 1 
366 45 GLN CG C 34.490 . 1 
367 45 GLN N N 124.530 . 1 
368 46 LEU H H 8.340 . 1 
369 46 LEU HA H 4.380 . 1 
370 46 LEU HB2 H 1.620 . 2 
371 46 LEU HB3 H 1.800 . 2 
372 46 LEU HG H 1.610 . 1 
373 46 LEU HD1 H 0.930 . 2 
374 46 LEU HD2 H 0.850 . 2 
375 46 LEU CA C 55.800 . 1 
376 46 LEU CB C 43.120 . 1 
377 46 LEU CG C 27.160 . 1 
378 46 LEU CD1 C 24.880 . 2 
379 46 LEU CD2 C 23.260 . 2 
380 46 LEU N N 120.620 . 1 
381 47 THR H H 7.520 . 1 
382 47 THR HA H 4.020 . 1 
383 47 THR HB H 3.420 . 1 
384 47 THR HG2 H 1.230 . 1 
385 47 THR CA C 62.770 . 1 
386 47 THR CB C 68.390 . 1 
387 47 THR CG2 C 22.870 . 1 
388 47 THR N N 119.590 . 1 
389 48 LYS H H 8.490 . 1 
390 48 LYS HA H 4.130 . 1 
391 48 LYS HB2 H 2.000 . 2 
392 48 LYS HB3 H 1.780 . 2 
393 48 LYS HG2 H 1.590 . 2 
394 48 LYS HG3 H 1.630 . 2 
395 48 LYS HE2 H 3.020 . 2 
396 48 LYS HE3 H 2.670 . 2 
397 48 LYS CA C 56.880 . 1 
398 48 LYS CB C 32.830 . 1 
399 48 LYS CG C 25.210 . 1 
400 48 LYS CD C 29.270 . 1 
401 48 LYS CE C 42.200 . 1 
402 48 LYS N N 125.990 . 1 
403 49 ASN H H 8.940 . 1 
404 49 ASN HA H 4.160 . 1 
405 49 ASN HB2 H 2.470 . 2 
406 49 ASN HB3 H 2.670 . 2 
407 49 ASN CA C 56.540 . 1 
408 49 ASN CB C 38.340 . 1 
409 49 ASN N N 122.070 . 1 
410 50 ALA H H 8.630 . 1 
411 50 ALA HA H 3.830 . 1 
412 50 ALA HB H 1.440 . 1 
413 50 ALA CA C 55.240 . 1 
414 50 ALA CB C 19.220 . 1 
415 50 ALA N N 119.450 . 1 
416 51 VAL H H 6.990 . 1 
417 51 VAL HA H 3.580 . 1 
418 51 VAL HB H 2.130 . 1 
419 51 VAL HG1 H 0.830 . 2 
420 51 VAL HG2 H 1.004 . 2 
421 51 VAL CA C 65.370 . 1 
422 51 VAL CB C 31.590 . 1 
423 51 VAL CG1 C 21.240 . 2 
424 51 VAL CG2 C 22.440 . 2 
425 51 VAL N N 117.660 . 1 
426 52 VAL H H 7.610 . 1 
427 52 VAL HA H 3.160 . 1 
428 52 VAL HB H 2.010 . 1 
429 52 VAL HG1 H 0.750 . 2 
430 52 VAL HG2 H 0.900 . 2 
431 52 VAL CA C 68.180 . 1 
432 52 VAL CB C 31.570 . 1 
433 52 VAL CG1 C 22.390 . 2 
434 52 VAL CG2 C 22.900 . 2 
435 52 VAL N N 120.650 . 1 
436 53 LEU H H 7.840 . 1 
437 53 LEU HA H 3.770 . 1 
438 53 LEU HB2 H 1.450 . 2 
439 53 LEU HB3 H 1.570 . 2 
440 53 LEU HD1 H 0.830 . 2 
441 53 LEU HD2 H 0.750 . 2 
442 53 LEU CA C 58.050 . 1 
443 53 LEU CB C 41.250 . 1 
444 53 LEU CD1 C 24.600 . 2 
445 53 LEU CD2 C 24.770 . 2 
446 53 LEU N N 116.130 . 1 
447 54 LYS H H 7.310 . 1 
448 54 LYS HA H 3.940 . 1 
449 54 LYS HB2 H 1.920 . 2 
450 54 LYS HB3 H 1.740 . 2 
451 54 LYS HG2 H 1.330 . 2 
452 54 LYS HD2 H 1.670 . 2 
453 54 LYS HD3 H 1.760 . 2 
454 54 LYS HE2 H 3.010 . 2 
455 54 LYS CA C 58.550 . 1 
456 54 LYS CB C 31.640 . 1 
457 54 LYS CG C 24.400 . 1 
458 54 LYS CD C 28.180 . 1 
459 54 LYS CE C 42.000 . 1 
460 54 LYS N N 119.050 . 1 
461 55 ARG H H 7.880 . 1 
462 55 ARG HA H 3.930 . 1 
463 55 ARG CA C 60.700 . 1 
464 55 ARG CB C 30.870 . 1 
465 55 ARG CG C 27.430 . 1 
466 55 ARG N N 117.860 . 1 
467 56 ILE H H 7.650 . 1 
468 56 ILE HA H 3.240 . 1 
469 56 ILE HB H 1.730 . 1 
470 56 ILE HG12 H 1.940 . 1 
471 56 ILE HG2 H 0.630 . 1 
472 56 ILE HD1 H 0.610 . 1 
473 56 ILE CA C 65.580 . 1 
474 56 ILE CB C 37.560 . 1 
475 56 ILE CG1 C 29.330 . 1 
476 56 ILE CG2 C 18.920 . 1 
477 56 ILE CD1 C 14.180 . 1 
478 56 ILE N N 118.030 . 1 
479 57 GLN H H 8.520 . 1 
480 57 GLN HA H 3.770 . 1 
481 57 GLN HG2 H 2.500 . 2 
482 57 GLN CA C 60.070 . 1 
483 57 GLN CB C 27.250 . 1 
484 57 GLN CG C 34.750 . 1 
485 57 GLN N N 120.060 . 1 
486 58 HIS H H 8.520 . 1 
487 58 HIS HA H 4.282 . 1 
488 58 HIS CA C 56.440 . 1 
489 58 HIS CB C 28.600 . 1 
490 58 HIS N N 118.320 . 1 
491 59 LEU H H 7.670 . 1 
492 59 LEU HA H 3.340 . 1 
493 59 LEU HB2 H -0.060 . 2 
494 59 LEU HB3 H 1.620 . 2 
495 59 LEU HG H 0.900 . 1 
496 59 LEU HD1 H 0.400 . 2 
497 59 LEU HD2 H -0.120 . 2 
498 59 LEU CA C 58.430 . 1 
499 59 LEU CB C 39.670 . 1 
500 59 LEU CG C 26.050 . 1 
501 59 LEU CD1 C 21.400 . 2 
502 59 LEU CD2 C 26.400 . 2 
503 59 LEU N N 123.430 . 1 
504 60 ASP H H 8.490 . 1 
505 60 ASP HA H 3.530 . 1 
506 60 ASP HB2 H 1.180 . 2 
507 60 ASP HB3 H 2.320 . 2 
508 60 ASP CA C 59.290 . 1 
509 60 ASP CB C 42.470 . 1 
510 60 ASP N N 120.620 . 1 
511 61 GLU H H 8.410 . 1 
512 61 GLU HA H 4.190 . 1 
513 61 GLU HB2 H 2.380 . 2 
514 61 GLU HG2 H 2.200 . 2 
515 61 GLU HG3 H 2.540 . 2 
516 61 GLU CA C 59.460 . 1 
517 61 GLU CB C 29.580 . 1 
518 61 GLU CG C 36.440 . 1 
519 61 GLU N N 118.910 . 1 
520 62 ALA H H 8.390 . 1 
521 62 ALA HA H 3.880 . 1 
522 62 ALA HB H 1.810 . 1 
523 62 ALA CA C 55.540 . 1 
524 62 ALA CB C 21.730 . 1 
525 62 ALA N N 121.940 . 1 
526 63 TYR H H 9.000 . 1 
527 63 TYR HA H 3.690 . 1 
528 63 TYR HB2 H 3.730 . 2 
529 63 TYR HB3 H 2.940 . 2 
530 63 TYR HD1 H 6.950 . 3 
531 63 TYR HE1 H 6.680 . 3 
532 63 TYR CA C 62.120 . 1 
533 63 TYR CB C 38.680 . 1 
534 63 TYR CD1 C 133.400 . 3 
535 63 TYR CE1 C 117.900 . 3 
536 63 TYR N N 118.960 . 1 
537 64 ASN H H 8.280 . 1 
538 64 ASN HA H 4.180 . 1 
539 64 ASN HB2 H 2.470 . 2 
540 64 ASN HB3 H 2.670 . 2 
541 64 ASN CA C 56.510 . 1 
542 64 ASN CB C 38.120 . 1 
543 64 ASN N N 117.640 . 1 
544 65 LYS H H 8.190 . 1 
545 65 LYS HA H 4.000 . 1 
546 65 LYS HB2 H 1.950 . 2 
547 65 LYS CA C 59.930 . 1 
548 65 LYS CB C 32.530 . 1 
549 65 LYS CG C 26.020 . 1 
550 65 LYS N N 120.650 . 1 
551 66 VAL H H 8.460 . 1 
552 66 VAL HA H 3.670 . 1 
553 66 VAL HB H 1.950 . 1 
554 66 VAL HG1 H 0.830 . 2 
555 66 VAL HG2 H 1.140 . 2 
556 66 VAL CA C 65.860 . 1 
557 66 VAL CB C 32.210 . 1 
558 66 VAL CG1 C 22.300 . 2 
559 66 VAL CG2 C 25.430 . 2 
560 66 VAL N N 120.820 . 1 
561 67 LYS H H 8.520 . 1 
562 67 LYS HA H 3.560 . 1 
563 67 LYS HB2 H 1.480 . 2 
564 67 LYS HB3 H 1.750 . 2 
565 67 LYS HG2 H 1.340 . 2 
566 67 LYS HG3 H 1.230 . 2 
567 67 LYS HD2 H 1.630 . 2 
568 67 LYS CA C 59.580 . 1 
569 67 LYS CB C 32.360 . 1 
570 67 LYS CG C 24.890 . 1 
571 67 LYS CD C 29.920 . 1 
572 67 LYS N N 120.740 . 1 
573 68 ARG H H 7.460 . 1 
574 68 ARG HA H 4.200 . 1 
575 68 ARG HB2 H 1.800 . 2 
576 68 ARG HB3 H 1.900 . 2 
577 68 ARG HG2 H 1.710 . 2 
578 68 ARG HG3 H 1.780 . 2 
579 68 ARG HD2 H 3.200 . 2 
580 68 ARG CA C 57.560 . 1 
581 68 ARG CB C 30.650 . 1 
582 68 ARG CG C 27.400 . 1 
583 68 ARG CD C 43.600 . 1 
584 68 ARG N N 116.250 . 1 
585 69 GLY H H 7.670 . 1 
586 69 GLY HA2 H 3.960 . 2 
587 69 GLY CA C 45.680 . 1 
588 69 GLY N N 107.370 . 1 
589 70 GLU H H 8.150 . 1 
590 70 GLU HA H 4.320 . 1 
591 70 GLU HB2 H 2.080 . 2 
592 70 GLU HB3 H 2.240 . 2 
593 70 GLU HG2 H 2.080 . 2 
594 70 GLU HG3 H 2.260 . 2 
595 70 GLU CA C 56.310 . 1 
596 70 GLU CB C 30.390 . 1 
597 70 GLU CG C 36.110 . 1 
598 70 GLU N N 120.290 . 1 
599 71 SER H H 8.250 . 1 
600 71 SER HA H 4.410 . 1 
601 71 SER HB2 H 3.890 . 2 
602 71 SER HB3 H 3.850 . 2 
603 71 SER CA C 58.570 . 1 
604 71 SER CB C 63.840 . 1 
605 71 SER N N 116.970 . 1 
606 72 LYS H H 8.320 . 1 
607 72 LYS HA H 4.265 . 1 
608 72 LYS HB2 H 1.760 . 2 
609 72 LYS HB3 H 1.840 . 2 
610 72 LYS HG2 H 1.390 . 2 
611 72 LYS HG3 H 1.440 . 2 
612 72 LYS HD2 H 1.670 . 2 
613 72 LYS CA C 56.690 . 1 
614 72 LYS CB C 32.820 . 1 
615 72 LYS CG C 24.660 . 1 
616 72 LYS CD C 28.970 . 1 
617 72 LYS CE C 42.290 . 1 
618 72 LYS N N 123.140 . 1 
619 73 LEU H H 8.070 . 1 
620 73 LEU HA H 4.250 . 1 
621 73 LEU HB2 H 1.490 . 2 
622 73 LEU HB3 H 1.570 . 2 
623 73 LEU HG H 1.550 . 1 
624 73 LEU HD1 H 0.880 . 2 
625 73 LEU HD2 H 0.820 . 2 
626 73 LEU CA C 55.210 . 1 
627 73 LEU CB C 42.230 . 1 
628 73 LEU CG C 26.880 . 1 
629 73 LEU CD1 C 24.860 . 2 
630 73 LEU CD2 C 23.410 . 2 
631 73 LEU N N 122.390 . 1 
632 74 GLU H H 8.130 . 1 
633 74 GLU HA H 4.180 . 1 
634 74 GLU HB2 H 1.870 . 2 
635 74 GLU HG2 H 2.150 . 2 
636 74 GLU HG3 H 2.190 . 2 
637 74 GLU CA C 56.280 . 1 
638 74 GLU CB C 30.460 . 1 
639 74 GLU CG C 36.060 . 1 
640 74 GLU N N 121.430 . 1 
641 75 HIS H H 8.410 . 1 
642 75 HIS HA H 4.640 . 1 
643 75 HIS HB2 H 3.210 . 2 
644 75 HIS CA C 55.480 . 1 
645 75 HIS CB C 29.420 . 1 
646 75 HIS N N 119.470 . 1 
647 76 HIS H H 8.300 . 1 
648 76 HIS HA H 4.450 . 1 
649 76 HIS HB2 H 3.126 . 2 
650 76 HIS HB3 H 3.239 . 2 
651 76 HIS CA C 57.150 . 1 
652 76 HIS CB C 29.710 . 1 
653 76 HIS N N 125.500 . 1 
cwd: /data/PSVS/PSVS-v1.4-dev/results/SR478_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/SR478_R3Cons_em_bcr3/rpf_calc/input/ctrl_file -o rpf_calc -q SR478_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: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SR478_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 ...                                          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 ...