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ABCDEFGHIXKLMNXPQRSTXVWXYZX-- N CA C O N CA B O1 O2 ALAASXCYSASPGLUPHEGLYHISILEXXXLYSLEUMETASNXXXPROGLNARGSERTHRXXXVALTRPXXXTYRGLXUNKPCAINIAIBPHLSECALMMPRFRDPYRLYMGLMPPHPGLOLETPHABANLEB2VB2IB1FBNOB2AB2FACEANIBZOCBZCLTFORNH2PHORHATFATOS NHMYRBOCMSU A C G T U1MA5MCOMC1MG2MGM2G7MGOMG YG I +UH2U5MUPSU +C +AGALAGLGCUASGMANGLCCEGG4SAGSNAGGLSNGSNAMEXCABCDEFGHIJKLMNZYabcdefghijklmnzy+0++++0++++0+++HEheBbGgIiJKLMNOPTtS (a)( Working on Brookhaven file ,a, . . . )(i3)(a)r= r==M;== SG CG OD1 OD2 CG CD OE1 OE2 CG CD1 CD2 CG ND1 CD2 CG1 CD1 CG CD CE NZ CG CD1 CD2 CG SD CE CG OD1 ND2 CG CG CD OE1 NE2 CG CD NE CZ OG OG1 CG2 CG1 CG2 CG CD1 CD2 CG CD1 CD2 CG CD OE CG CD CE NZ CB1 CB2 CG CD1 CD2 SEG OD1 OD2 CM SG CG CD1 CD2 CG CD CE NZ CM CG CD1 CD2 CG CD1 CD2 CG CD1 CD2 CG CG CD CE CG1 CG2 CG1 CD1 CG CD1 CD2 CG CD CE CG CD1 CD2  CG AD1 AD2 CG AD1 AD2 CG CD AE1 AE2     CB (18x,13(1x,a3))(9x,a1,a40,12x,a4)(9x,a1,a50)(9x,a1,a50)(21x,a1)(12x,a4,a1,a3,1x,a6,27x,2f6.2)(12x,a4,a1,13x,3f8.3,2f6.2) XX@<DP@<DP@<DP@<DP X@<EP@< EP@<?EP X@<XP (a3,a) F(chain letter change but no chain break between ,i4,2x,a6, and,i4,2x,a6) F F(chain break between ,i4,(,a6,) and ,i4,(,a6,)) @G(hydrogen atom not generated for residue ,i4) G(coincident atoms in hydrogen bonding, donor ,i4, acceptor ,i4)(atoms too close ,i4,2x,i4,2x,4(2x,f8.3))(a,i5) H H H(third (+) Hbond (N-C) ,i4,2x,i4, energy ,f6.2, abandoned) I I I X X X345ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz1234567890(there are ,i3, strands. Labels have restarted)(there are ,i3, bridges. Labels have restarted) N @N(there are ,i3, sheets. Labels have restarted) NH EB GITS+h eb gits+HJIKGLMNOP(7x,i3,9x,a1,1x,a5,5x,a1,1x,a5,i2)(7x,i3,1x,a3,7x,a6,5x,a6,i2)(19x,a6,5x,a6)XOA OPOACOPOA`OP (15x,a1,1x,a5,7x,a1,1x,a5)(multifurcation of disulphides ,i4,1x,i4,1x,f3.1)XPAOP X X P P(conflict with author defined disulphide -, abandoning ,i4,1x,i4)(conflict with previously defined disulphide -, abandoning ,i4,1x,i4)(disulphide distance too large for,i4,1x,i4,1x,f5.1) P @Q Q chirality bends turns 5-turns 3-turns bridge-2 bridge-1 sheets 4-turns authorKabs/Sand summary sequencechiralitybends turns 5-turns 3-turns bridge-2 bridge-1 sheets 4-turns author Kabs/Sandsummary sequence (i4,a3,a1,a6,a1,11f7.2,2f7.3,2(1x,i2),2f7.3)S(a) S(a)S(a)(11x,i3)(18x,13(a1,a3))T UA TP UA)TP Secondary structure calculation program - copyright by David Keith Smith, 1989Amended by R A Laskowski, 1992Enter filename containing coordinates of structure (for file containing ensemble of NMR structures enter @filename; for set of separate PDB files to be processed, enter %filelist, where filelist contains a list of PDB files to be cleaned up)mplot.inUNKNOWNSEQUENTIALFORMATTEDold.rin.new_ Processing NMR modelSCRATCH**** C-alpha only file**** Error while reading fileUnable to open the Brookhaven format file * NMR ensemble comprises model structures**** ERROR. Unable to open .rin file*** ERROR opening mplot.in file. Program aborted* Program completed(A)(a)(21x,a6) ATZEROATOM HEZEROHETATMSEQRESHEADERCOMPNDSOURCEENDMDLMODEL *** ERROR: MODEL record encountered unexpectedly in PDB fileHELIX SHEET TURN SSBOND aUNK OXT NXTG G1END **** Too many amino acids - input terminated unknown amino acid code*** Maximum number of chain-breaks exceedednumber of hydrogen bonds is side chain atoms swapped for (a3,1x,i4,2x)structure record in errorerror in SSBOND record *** ERROR in supplied name of file: []MODEL*** Warning. Maximum number of different types of residue in SEQRES records, MAXTYP, exceeded*** Warning. Invalid data in SEQRES record. SEQRES data will be ignored*** *** ERROR reading NMR file while looking for MODEL record *** Data error in MODEL number *** Error at line after ENDMDL record for model *** Maximum number of models exceeded *** Model found: Maxmimum allowed:@@f@?ܥL@6?6?B?A?Aff`AAC?B@@ffA?X⍀PrX⍀PXX⍀P>X⍀P$X⍀P Xu⍀uPX_⍀_P֡XI⍀IP鼡X3⍀3P颡X⍀P鈡X⍀PnX⍀PTX⍀P:X⍀P X⍀PX⍀PX⍀PҠXm⍀mP鸠XW⍀WP鞠XA⍀AP鄠X+⍀+PjX⍀PPX⍀P6X⍀PX⍀PX⍀PX⍀PΟX⍀P鴟X{⍀{P隟Xe⍀eP速XO⍀OPfX9⍀9PLX#⍀#P2X ⍀ PX⍀PX⍀PX⍀PʞX⍀P鰞X⍀P閞X⍀P|Xs⍀sPbX]⍀]PHXG⍀GP.X1⍀1PX⍀PX⍀PX⍀PƝX⍀P鬝X⍀P钝X⍀PxX⍀P^X⍀PDXk⍀kP*XU⍀UPX?⍀?PX)⍀)PܜX⍀PœX⍀P騜X⍀P鎜X⍀PtX⍀PZX⍀P@X⍀P&Xy⍀yP Xc⍀cPXM⍀MP؛X7⍀7P龛X!⍀!P餛]]]]]^^8^R^l^^^^^^_"_<_V_p______ `&`@`Z`t``````a*aDa^axaaaaaab.bHbbb|bbbbbbc2cLcfccccccdd6dPdŞ \ |nhaZ\RLHUC;5.'\4U  ޝם\̝Ɲs\ pUA}`\uo U`pUAUOHA`\93 U" @\TTߜT˜Ɯ4\\TgxUAOtUAFA;4- UA"[Tߛ[ԛΛǛ[TUAUAwxUAeUAVUAC3UA [ߚٚϚ`[Ě@[T^OYB,UA!ҙUAǙhT UAYrtUA\V UAOX>8 UA1YtUAϘɘPTpUA UA)[|vo UA[U]=3U8]y?3U]p@3U\`@3U\`@3Ul\d@3U$\@3U\y?3U\=3U[y?3U[d@3U[@3U[y?3U[@3U~[d@3UO[\]3U'[[03UZd@3UZTM3U`Zy?3U0Zy?3U ZTM3UYy?3UYd@3U}Y@3UrY@3UlYM3UX=3UX=3UX@3UX@3UXM3UXd@3UX@3UX=3UXd@3UdXHM3U[X@3URX0M3UHX@3U X=3UX|@3UWd@3UW=3UQWL3UKW=3UBW@3U9WL3U-V|@3U$V=3UVL3UVL3U Vd@3UV@3UU|@3UUOA3UUd@3UUOA3U~U=3UkUd@3UU=PTX]PT@=PT=PT]PTT=P~T=PoT\T]PPTT]P@T=P:T=P2T]PTT]PS=PS=PSS=PS4PSS=PS4PS=PS=PtST]PnSd=PgSd=P^S=PUS=PIS=PBS=P9S=P,S&Sd=PS=PS$PSSd=PR=PR$PR=PR=PR=PR=PWR@=PNR=PER=PF=2C-F'F=2CRE=2CLE=2CCEI2C:E`J2C1EI2C E=2CD=2CD=2CD=2CDI2CDJ2CD=2C{D=2CrDI2CiD=2C`D=2C=D=2C4D=2C$D=2CD=2CD=2CC=2CC=2CpC=2CB=p@BH]p@BD]p@BlB=p@TB=p@5B<p@B=p@B=p@A<p@A=p@A<p@A<p@A=p@A<p@A<p@A=p@A=p@8A<p@@=p@@<p@@=p@@<p@@=p@@<p@@=p@[@<!@Q@<!@B@<!@4@<!@*@<!@@<??<??<??<??<?E?<?)?<?><F<><F<u><F<K><F<=>'><F<>> >F<==F<==F<==lIF<=}=<F<k=f=`=F<K=E=F<-='=F<==XIF<<<<F<<<F<<<F<<<DIF<<<F<<p<<F<j<,<'<!< 7<< 7< < 7<lZ 7;;H 7;;< 7;|< 7;< 7;< 7;@] 7;< 7{;v;m;p< 7b;Y;t< 7N;E;l< 7:;1;x< 7&;;< 7; ;|< 7::H 7:<] 7:8] 7:p< 7:t< 7:l< 7:x< 7:4] 7:< 7:::< 7:{:|< 7p:j:H 7Z:T:p< 7M:$ 7=:7:l< 70:$ 7 ::t< 7:$ 7:9x< 79$ 79p< 799l< 799t< 79u9x< 7o9&90] 79< 798< 78|< 78< 78< 7|8< 7t8< 7k8 7K8< 7>8< 78|< 78< 77|< 77< 77< 77|< 77< 77< 7q7h< 7a7|< 76`<46d<466646d<466G46d<4Q6P<4K6H<4E6d<46L<46,]46P<45L<45L<45d<45H<45P<45L<4t5d<4k5H<4J5`<4<5d<435\<45`<4 5\<44<<34D<34@<34(]3y4R4<<3C4D<374@<34D<34@<33D<33@<33~3x3 *2q3*2j3,*2_3Y3*2R3*2K3@Z*2C3=3G*2333*222*222*222*222|G*2218</14</118</11k1[1D1-1'1$G/ 14</18</0\/004</0G/04</08</|0\/s0]04</I0/@04</-04</08<//4<//4<//0<//0<//,</r/,</j/3/0</*/0</$/.(< ..(< ..(< ...F .... .. 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