£€0€ €0€ €0€ €š¡€0€ €1PEN¡€remark 3: Refinement.¡€$remark 3: Program : X-Plor 3.1¡€!remark 3: Authors : Brunger¡€$remark 3: Data Used In Refinement.¡€3remark 3: Resolution Range High (Angstroms) : 1.1¡€3remark 3: Resolution Range Low (Angstroms) : 6.1¡€2remark 3: Data Cutoff (Sigma(F)) : 2.¡€4remark 3: Data Cutoff High (Abs(F)) : Null¡€4remark 3: Data Cutoff Low (Abs(F)) : Null¡€3remark 3: Completeness (Working+test) (%) : 70.¡€4remark 3: Number Of Reflections : 2536¡€+remark 3: Fit To Data Used In Refinement.¡€3remark 3: Cross-Validation Method : Null¡€3remark 3: Free R Value Test Set Selection : Null¡€4remark 3: R Value (Working Set) : 0.127¡€4remark 3: Free R Value : 0.152¡€2remark 3: Free R Value Test Set Size (%) : 10.¡€2remark 3: Free R Value Test Set Count : 245¡€3remark 3: Estimated Error Of Free R Value : Null¡€.remark 3: Fit In The Highest Resolution Bin.¡€6remark 3: Total Number Of Bins Used : Null¡€6remark 3: Bin Resolution Range High (A) : Null¡€6remark 3: Bin Resolution Range Low (A) : Null¡€6remark 3: Bin Completeness (Working+test) (%) : Null¡€6remark 3: Reflections In Bin (Working Set) : Null¡€6remark 3: Bin R Value (Working Set) : Null¡€6remark 3: Bin Free R Value : Null¡€6remark 3: Bin Free R Value Test Set Size (%) : Null¡€6remark 3: Bin Free R Value Test Set Count : Null¡€6remark 3: Estimated Error Of Bin Free R Value : Null¡€remark 3: Group 1 Positional (A) : Null ; Null¡€remark 3: Anisotropic B-Factor Refinement Was Performed With¡€Bremark 3: Shelxl93 To Give An R-Factor Of 11.5% And An R-Free Of¡€remark 3: 14.4%.¡€9remark 4: 1pen Complies With Format V. 2.2, 16-Dec-1996¡€ remark 200: Experimental Details¡€>remark 200: Experiment Type : X-Ray Diffraction¡€8remark 200: Date Of Data Collection : 28-Sep-1995¡€0remark 200: Temperature (Kelvin) : 289¡€0remark 200: Ph : 8.0¡€.remark 200: Number Of Crystals Used : 2¡€-remark 200: Synchrotron (YN) : N¡€1remark 200: Radiation Source : Null¡€1remark 200: Beamline : Null¡€1remark 200: X-Ray Generator Model : Null¡€-remark 200: Monochromatic Or Laue (ML) : M¡€1remark 200: Wavelength Or Range (A) : 1.54¡€9remark 200: Monochromator : Yale Mirrors¡€1remark 200: Optics : Null¡€Dremark 200: Detector Type : Raxis Iic Area Detector¡€3remark 200: Detector Manufacturer : Rigaku¡€2remark 200: Intensity-Integration Software : Denzo¡€1remark 200: Data Scaling Software : Null¡€1remark 200: Number Of Unique Reflections : 3459¡€0remark 200: Resolution Range High (A) : 1.1¡€0remark 200: Resolution Range Low (A) : 50.¡€/remark 200: Rejection Criteria (Sigma(I)) : 1.¡€remark 200: Overall.¡€0remark 200: Completeness For Range (%) : 94.¡€0remark 200: Data Redundancy : 4.7¡€2remark 200: R Merge (I) : 0.080¡€1remark 200: R Sym (I) : Null¡€0remark 200: FOR THE DATA SET : NULL¡€,remark 200: In The Highest Resolution Shell.¡€;remark 200: Highest Resolution Shell, Range High (A) : Null¡€;remark 200: Highest Resolution Shell, Range Low (A) : Null¡€1remark 200: Completeness For Shell (%) : Null¡€1remark 200: Data Redundancy In Shell : Null¡€1remark 200: R Merge For Shell (I) : Null¡€1remark 200: R Sym For Shell (I) : Null¡€0remark 200: FOR SHELL : NULL¡€8remark 200: Method Used To Determine The Structure: Null¡€remark 200: Software Used: Null¡€ remark 200: Starting Model: Null¡€remark 200: Remark: Null¡€remark 280: Crystal¡€*remark 280: Solvent Content, Vs (%): 12.¡€9remark 280: Matthews Coefficient, Vm (Angstroms3DA): NULL¡€,remark 280: Crystallization Conditions: Null¡€%remark 290: Crystallographic Symmetry¡€8remark 290: Symmetry Operators For Space Group: P 1 21 1¡€remark 290: Symop Symmetry¡€remark 290: Nnnmmm Operator¡€remark 290: 1555 X,Y,Z¡€remark 290: 2555 -X,Y+12,-Z¡€(remark 290: Where Nnn -> Operator Number¡€%remark 290: Mmm -> Translation Vector¡€5remark 290: Crystallographic Symmetry Transformations¡€Cremark 290: The Following Transformations Operate On The AtomHETATM¡€Aremark 290: Records In This Entry To Produce Crystallographically¡€remark 290: Related Molecules.¡€Cremark 290: Smtry1 1 1.000000 0.000000 0.000000 0.00000¡€Cremark 290: Smtry2 1 0.000000 1.000000 0.000000 0.00000¡€Cremark 290: Smtry3 1 0.000000 0.000000 1.000000 0.00000¡€Cremark 290: Smtry1 2 -1.000000 0.000000 0.000000 0.00000¡€Cremark 290: Smtry2 2 0.000000 1.000000 0.000000 9.90001¡€Cremark 290: Smtry3 2 0.000000 0.000000 -1.000000 0.00000¡€remark 290: Remark: Null¡€remark 999: Sequence¡€Bremark 999: Nh2 17 - Nh2 17 - Missing From Sws P50984¡€Šâ(8þò¿}Nú1ö±ù3ù!ñ‡û–þγ ¼ âH˜Ð#üöù:¸ï 1×ü¸÷âöOñ»ù;þøñú#ùõãòþ5V™„öíôïêé÷‰ôºòõóÊðVñ'ïrìÒïTêÜçânìÃð&è¦é«‹ÝåÜDÜhÝíàÈ ?Ûõè¸í¸¢€0€Ý×ÊÖÚÙ”Ò¶ÑWÑnÔËëÊHέÎ*ÓÓÉzÃ¥×%Üßìä!Þaß9ÞtáÍßÅÛ™á¨åžë#äIâÅá"Þ[Ùñæ-èÏç÷àÄÞ.ØèÕAâçåÛØŒÓ²ÏhÊõÔ”ÏÐÃÍÊ›ÅÖÏ›ÍäÌÈŽÅ#иÉnÆCÁV½òÉzÍ`Ì,ÒÀÙ¼Mº"¹™½¸¿C»èÄV¸¬¶Œ±e°µß´È¸ª®‹©˜ªU§&¦£©õ®È§Ÿ®¯£²«±N²¥´°H¹U±”º®¶Ä·þ¶Åº"¸¹É¿–Âñ´¨”¢cÀ—ÉYÏVÀqè¯Ì×â¤À¢Á£_£€0€ } ðNÅvQü´øÃyûzý;øå÷òÊùËû¦ú2ø£öºôÓý+—÷$õŽðXð'ùÍùqúCý†ìæäæmäƒã°åòëÎèSçèê¯èÚê™ê?êôï+òï›ï÷¼ûßíúë†æ«åüê!ãkÞŸߟÜvÛAãöå?èDé èAäËà]æ¿éßìØêÞíÚò¢ôóöõ}åÓãŸæ-æ?Ý×Ýîáçè7êØïÓñëýîËîñ¥ò¦÷vöŽø¶ûNJ¹K& }ódòRîIîmðÍöêæ ñ$çæélî„ö’ñÏöûÞøõ£€ €0€ €è¡€0€- %C!QbãÝÏ(dîq”jgý\´\0P$þBN·& <Y È>X–¯_"%ã3þ>O|4HâíËž° #•$†'%ž Ï%»Ì!ñ<–ZŒuøorø‚ší›"BMN<¡x ÚB"°¡!)(O$vÔõ—N7z‚¡Ì"8$¥d!ÞwW8-Ûp/YsTº_‚+3ôu+\QÂ8Ö0€ €¡€0€¤€helix¢€ €¡€0€ €¡€¡€0€0€ €¡€¢€ ¡€¢€0€ €0€ €B@¡€28¢€þèV@£€ŒöÈ¡€0€ €B@¡€ç†`¢€•У€ÂÌ¢€0€ €¡€¡€1€ €0€ €1€®€0€ €1PEN¢€¡€0€ €Ì¡€¢€«€ „¡€1€´€0€ €¡€0€ €Ì¡€¢€¡€ Neurotoxin¢€0€Alpha-Conotoxin Pni1£€0€?Mol_id: 1; 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