data_15960 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of human acidic fibroblast growth factor in complex with anti-angiogenic drug inositol hexaphosphate (IP6) ; _BMRB_accession_number 15960 _BMRB_flat_file_name bmr15960.str _Entry_type new _Submission_date 2008-09-22 _Accession_date 2008-09-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumar Sriramoju M. . 2 Mohan Sepuru K. . 3 Chin Yu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 584 "13C chemical shifts" 357 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-01 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_reference_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Molecular level interaction of the human acidic fibroblast growth factor with the antiangiogenic agent, inositol hexaphosphate .' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21077672 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumar Sriramoju M. . 2 Wang Han-Min . . 3 Mohan Sepuru K. . 4 Chou Ruey-Hwang . . 5 Yu Chin . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 50 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10756 _Page_last 10764 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FGF-1/IHP complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FGF-1 $FGF-1 'INOSITOL HEXAKISPHOSPHATE' $IHP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FGF-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FGF-1 _Molecular_mass 15118.163 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; YKKPKLLYCSNGGHFLRILP DGTVDGTRDRSDQHIQLQLS AESVGEVYIKSTETGQYLAM DTDGLLYGSQTPNEECLFLE RLEENHYNTYISKKHAEKNW FVGLKKNGSCKRGPRTHYGQ KAILFLPLPVSSD ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 LYS 3 LYS 4 PRO 5 LYS 6 LEU 7 LEU 8 TYR 9 CYS 10 SER 11 ASN 12 GLY 13 GLY 14 HIS 15 PHE 16 LEU 17 ARG 18 ILE 19 LEU 20 PRO 21 ASP 22 GLY 23 THR 24 VAL 25 ASP 26 GLY 27 THR 28 ARG 29 ASP 30 ARG 31 SER 32 ASP 33 GLN 34 HIS 35 ILE 36 GLN 37 LEU 38 GLN 39 LEU 40 SER 41 ALA 42 GLU 43 SER 44 VAL 45 GLY 46 GLU 47 VAL 48 TYR 49 ILE 50 LYS 51 SER 52 THR 53 GLU 54 THR 55 GLY 56 GLN 57 TYR 58 LEU 59 ALA 60 MET 61 ASP 62 THR 63 ASP 64 GLY 65 LEU 66 LEU 67 TYR 68 GLY 69 SER 70 GLN 71 THR 72 PRO 73 ASN 74 GLU 75 GLU 76 CYS 77 LEU 78 PHE 79 LEU 80 GLU 81 ARG 82 LEU 83 GLU 84 GLU 85 ASN 86 HIS 87 TYR 88 ASN 89 THR 90 TYR 91 ILE 92 SER 93 LYS 94 LYS 95 HIS 96 ALA 97 GLU 98 LYS 99 ASN 100 TRP 101 PHE 102 VAL 103 GLY 104 LEU 105 LYS 106 LYS 107 ASN 108 GLY 109 SER 110 CYS 111 LYS 112 ARG 113 GLY 114 PRO 115 ARG 116 THR 117 HIS 118 TYR 119 GLY 120 GLN 121 LYS 122 ALA 123 ILE 124 LEU 125 PHE 126 LEU 127 PRO 128 LEU 129 PRO 130 VAL 131 SER 132 SER 133 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15783 FGF-1 100.00 133 100.00 100.00 1.51e-93 BMRB 16493 aFGF 99.25 132 100.00 100.00 1.38e-92 BMRB 16494 aFGF 99.25 132 100.00 100.00 1.38e-92 BMRB 16502 aFGF 99.25 132 100.00 100.00 1.38e-92 BMRB 17464 FGF 99.25 132 100.00 100.00 1.38e-92 BMRB 17674 FGF1 97.74 130 100.00 100.00 2.90e-91 PDB 1AXM "Heparin-Linked Biologically-Active Dimer Of Fibroblast Growth Factor" 100.00 135 99.25 99.25 2.43e-92 PDB 1DJS "Ligand-binding Portion Of Fibroblast Growth Factor Receptor 2 In Complex With Fgf1" 100.00 135 99.25 99.25 2.43e-92 PDB 1DZC "High Resolution Structure Of Acidic Fibroblast Growth Factor. Mutant Fgf-4-ala-(23-154), 24 Nmr Structures" 96.24 131 100.00 100.00 7.19e-90 PDB 1DZD "High Resolution Structure Of Acidic Fibroblast Growth Factor (27-154), 24 Nmr Structures" 95.49 127 100.00 100.00 7.28e-89 PDB 1E0O "Crystal Structure Of A Ternary Fgf1-Fgfr2-Heparin Complex" 100.00 140 100.00 100.00 4.94e-93 PDB 1EVT "Crystal Structure Of Fgf1 In Complex With The Extracellular Ligand Binding Domain Of Fgf Receptor 1 (Fgfr1)" 100.00 134 100.00 100.00 1.57e-93 PDB 1HKN "A Complex Between Acidic Fibroblast Growth Factor And 5- Amino-2-Naphthalenesulfonate" 100.00 139 100.00 100.00 4.48e-93 PDB 1JQZ "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag." 100.00 146 100.00 100.00 7.84e-93 PDB 1JT3 "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Histidine Tag And Leu 73 Replaced By Val (L73v)" 100.00 146 99.25 100.00 1.92e-92 PDB 1JT4 "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Val 109 Replaced By Leu (v109l)" 100.00 146 99.25 100.00 2.69e-92 PDB 1JT5 "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Leu 73 Replaced By Val And Val 109 R" 100.00 146 98.50 100.00 6.89e-92 PDB 1JT7 "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Leu 44 Replaced By Phe And Leu 73 Re" 100.00 146 97.74 99.25 2.03e-91 PDB 1JTC "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Leu 44 Replaced By Phe (L44f)" 100.00 146 99.25 99.25 2.28e-92 PDB 1JY0 "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Cys 117 Replaced With Val (C117v)" 100.00 146 99.25 99.25 8.47e-92 PDB 1K5U "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag With His93 Replaced By Gly (H93g)" 100.00 146 99.25 99.25 2.85e-91 PDB 1K5V "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag With Asn106 Replaced By Gly (N106g)" 100.00 146 99.25 99.25 7.68e-92 PDB 1M16 "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Leu 44 Replaced With Phe (L44f), Leu" 100.00 146 96.99 98.50 2.45e-90 PDB 1P63 "Human Acidic Fibroblast Growth Factor. 140 Amino Acid Form With Amino Terminal His Tag And Leu111 Replaced With Ile (L111i)" 100.00 144 99.25 100.00 1.41e-92 PDB 1PZZ "Crystal Structure Of Fgf-1, V51n Mutant" 100.00 146 99.25 99.25 9.98e-92 PDB 1Q03 "Crystal Structure Of Fgf-1, S50gV51G MUTANT" 100.00 146 98.50 98.50 7.20e-91 PDB 1Q04 "Crystal Structure Of Fgf-1, S50e/v51n" 100.00 146 98.50 98.50 4.31e-91 PDB 1RG8 "Human Acidic Fibroblast Growth Factor (Hafgf-1) At 1.10 Angstrom Resolution (140 Amino Acid Form)" 100.00 146 100.00 100.00 7.84e-93 PDB 1RML "Nmr Study Of Acid Fibroblast Growth Factor Bound To 1,3,6- Naphthalene Trisulphonate, 26 Structures" 100.00 155 100.00 100.00 1.63e-93 PDB 1RY7 "Crystal Structure Of The 3 Ig Form Of Fgfr3c In Complex With Fgf1" 100.00 155 100.00 100.00 1.63e-93 PDB 1YTO "Crystal Structure Of Gly19 Deletion Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 145 99.25 99.25 2.58e-90 PDB 1Z2V "Crystal Structure Of Glu60 Deletion Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 145 99.25 99.25 2.70e-90 PDB 1Z4S "Crystal Structure Of Gly19 And Glu60 Deletion Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 144 98.50 98.50 1.08e-87 PDB 2AFG "2.0 Angstrom X-Ray Structure Of Human Acidic Fibroblast Growth Factor" 100.00 140 100.00 100.00 4.94e-93 PDB 2AQZ "Crystal Structure Of Fgf-1, S17tN18TG19 DELETION MUTANT" 100.00 145 97.74 98.50 5.20e-89 PDB 2AXM "Heparin-Linked Biologically-Active Dimer Of Fibroblast Growth Factor" 100.00 135 100.00 100.00 2.40e-93 PDB 2ERM "Solution Structure Of A Biologically Active Human Fgf-1 Monomer, Complexed To A Hexasaccharide Heparin-Analogue" 100.00 139 100.00 100.00 4.48e-93 PDB 2HW9 "Crystal Structure Of Lys12cysCYS117VAL MUTANT OF HUMAN Acidic Fibroblast Growth Factor At 1.60 Angstrom Resolution" 100.00 146 98.50 98.50 3.11e-90 PDB 2HWA "Crystal Structure Of Lys12thrCYS117VAL MUTANT OF HUMAN Acidic Fibroblast Growth Factor At 1.65 Angstrom Resolution" 100.00 146 98.50 98.50 5.08e-91 PDB 2HWM "Crystal Structure Of Lys12valCYS117VAL MUTANT OF HUMAN Acidic Fibroblast Growth Factor At 1.60 Angstrom Resolution" 100.00 146 98.50 98.50 9.57e-91 PDB 2HZ9 "Crystal Structure Of Lys12valASN95VALCYS117VAL MUTANT OF Human Acidic Fibroblast Growth Factor At 1.70 Angstrom Resolution" 100.00 146 97.74 97.74 1.40e-89 PDB 2J3P "Crystal Structure Of Rat Fgf1 At 1.4 A" 100.00 134 96.99 97.74 9.13e-91 PDB 2K43 "Acidic Fibroblast Growth Factor Solution Structure In The Fgf-1-C2a Binary Complex: Key Component In The Fibroblast Growthfacto" 100.00 133 100.00 100.00 1.51e-93 PDB 2K4A "Fgf-1-C2a Binary Complex Structure: A Key Component In The Fibroblast Growthfactor Non-Classical Pathway" 100.00 133 100.00 100.00 1.51e-93 PDB 2K8R "Solution Structure Of Human Acidic Fibroblast Growth Factor In Complex With Anti-Angiogenic Drug Inositol Hexaphosphate (Ip6)" 100.00 133 100.00 100.00 1.51e-93 PDB 2KI4 "Fgf1-S100a13 Complex Structure: Key Component In Non-Classic Way Of Fgf1" 100.00 133 100.00 100.00 1.51e-93 PDB 2KI6 "The Fgf1-S100a13-C2a Hetero-Hexameric Complex Structure: A C In The Non-Classical Pathway For Fgf1 Secretion" 100.00 133 100.00 100.00 1.51e-93 PDB 2NTD "Human Fibroblast Growth Factor-1 (140 Amino Acid Form) With Cys117valPRO134CYS MUTATIONS" 100.00 146 98.50 98.50 4.09e-90 PDB 2Q9X "Crystal Structure Of Highly Stable Mutant Q40p/s47i/h93g Of Human Fibroblast Growth Factor-1" 100.00 140 97.74 97.74 1.07e-89 PDB 2RQ9 "Solution Structure Of Human Acidic Fibroblast Growth Factor (Afgf) In The Presence Of A Protein Stabilizer Ndsb-New" 100.00 143 100.00 100.00 2.30e-93 PDB 2UUS "Crystal Structure Of The Rat Fgf1-sucrose Octasulfate (sos) Complex" 98.50 132 96.95 97.71 2.79e-89 PDB 3B9U "Crystal Structure Of L26nD28NH93G MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" 100.00 146 97.74 98.50 1.47e-89 PDB 3BA4 "Crystal Structure Of L26d Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 1.16e-91 PDB 3BA5 "Crystal Structure Of D28a Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 6.45e-92 PDB 3BA7 "Crystal Structure Of L26nD28A MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" 100.00 146 98.50 98.50 1.00e-90 PDB 3BAD "Crystal Structure Of D70aH93G MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" 100.00 146 98.50 98.50 2.91e-90 PDB 3BAG "Crystal Structure Of K112nN114A MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" 100.00 146 98.50 98.50 3.66e-91 PDB 3BAH "Crystal Structure Of K112n Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 3.46e-92 PDB 3BAO "Crystal Structure Of L26n Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 8.85e-92 PDB 3BAQ "Crystal Structure Of L26a Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 3.46e-92 PDB 3BAU "Crystal Structure Of K12vL26DD28A MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" 100.00 146 97.74 97.74 1.00e-89 PDB 3BAV "Crystal Structure Of L26aD28N MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" 100.00 146 98.50 99.25 1.67e-91 PDB 3BB2 "Crystal Structure Of L26dD28N MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" 100.00 146 98.50 99.25 4.81e-91 PDB 3CQA "Crystal Structure Of Human Fibroblast Growth Factor-1 With Mutations Glu81ala And Lys101ala" 100.00 144 98.50 98.50 1.48e-91 PDB 3CRG "Crystal Structure Of Human Fibroblast Growth Factor-1 With Mutations Glu81ala, Glu82asn And Lys101ala" 100.00 146 97.74 97.74 1.15e-90 PDB 3CRH "Crystal Structure Of Human Fibroblast Growth Factor-1 With Mutations Glu81ser And Lys101ala" 100.00 146 98.50 98.50 2.03e-91 PDB 3CRI "Crystal Structure Of Human Fibroblast Growth Factor-1 With Mutations Glu81ser, Glu82asn And Lys101ala" 100.00 146 97.74 97.74 1.04e-90 PDB 3CU1 "Crystal Structure Of 2:2:2 Fgfr2d2:fgf1:sos Complex" 97.74 131 100.00 100.00 3.38e-91 PDB 3FGM "Crystal Structure Of L44fC83TC117VF132W MUTANT OF HUMAN Acidic Fibroblast Growth Factor" 100.00 146 96.99 97.74 3.12e-89 PDB 3FJ8 "Crystal Structure Of C117i Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 1.09e-91 PDB 3FJ9 "Crystal Structure Of F85w Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 100.00 5.78e-92 PDB 3FJA "Crystal Structure Of F132w Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 100.00 5.78e-92 PDB 3FJB "Crystal Structure Of V31i Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 100.00 1.28e-92 PDB 3FJC "Crystal Structure Of L44w Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 6.31e-92 PDB 3FJD "Crystal Structure Of L44fF132W MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" 100.00 146 98.50 99.25 1.92e-91 PDB 3FJE "Crystal Structure Of C83s Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 8.95e-92 PDB 3FJF "Crystal Structure Of C83t Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 9.35e-92 PDB 3FJH "Crystal Structure Of C83a Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 6.45e-92 PDB 3FJI "Crystal Structure Of K12vC83IC117V MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" 100.00 146 97.74 97.74 1.01e-89 PDB 3FJJ "Crystal Structure Of C83v Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 8.47e-92 PDB 3FJK "Crystal Structure Of A66c Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 7.19e-92 PDB 3HAL "Crystal Structure Of Rabbit Acidic Fibroblast Growth Factor" 100.00 146 97.74 98.50 1.67e-90 PDB 3HOM "Crystal Structure Of Oxidized A66c Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 7.19e-92 PDB 3JUT "Acidic Fibroblast Growth Factor (Fgf-1) Complexed With Gentisic Acid" 97.74 130 100.00 100.00 5.11e-91 PDB 3K1X "Acidic Fibroblast Growth Factor (Fgf-1) Complexed With Dobes" 97.74 130 100.00 100.00 5.11e-91 PDB 3OJ2 "Crystal Structure Of Fgf1 Complexed With The Ectodomain Of Fgfr2b Harboring The A172f Pfeiffer Syndrome Mutation" 100.00 155 100.00 100.00 1.63e-93 PDB 3OJM "Crystal Structure Of Fgf1 Complexed With The Ectodomain Of Fgfr2b Harboring P253r Apert Mutation" 100.00 155 100.00 100.00 1.63e-93 PDB 3OJV "Crystal Structure Of Fgf1 Complexed With The Ectodomain Of Fgfr1c Exhibiting An Ordered Ligand Specificity-Determining Betac'-B" 100.00 136 100.00 100.00 1.79e-93 PDB 3UD7 "Crystal Structure Analysis Of Fgf1-disaccharide(ni21) Complexes" 100.00 141 100.00 100.00 3.48e-93 PDB 3UD8 "Crystal Structure Analysis Of Fgf1-disaccharide(ni22) Complex" 100.00 141 100.00 100.00 3.48e-93 PDB 3UD9 "Crystal Structure Analysis Of Fgf1-disaccharide(ni23) Complex" 100.00 141 100.00 100.00 3.48e-93 PDB 3UDA "Crystal Structure Analysis Of Fgf1-disaccharide(ni24) Complex" 100.00 141 100.00 100.00 3.48e-93 PDB 4J23 "Low Resolution Crystal Structure Of The Fgfr2d2d3/fgf1/sr128545 Complex" 100.00 138 100.00 100.00 2.77e-93 PDB 4Q91 "Crystal Structure Of C16a/k12v/c117v/p134v Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 96.99 96.99 1.11e-88 PDB 4Q9G "Crystal Structure Of K12v/c16s/c117v/p134v Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 96.99 96.99 1.50e-88 PDB 4Q9P "Crystal Structure Of C16t/k12v/c117v/p134v Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 96.99 96.99 1.47e-88 PDB 4QAL "Crystal Structure Of C117a Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 6.45e-92 PDB 4QBC "Crystal Structure Of C117t Mutant Of Human Acidic Fibroblast Growth Factor In Sodium Formate Buffer" 100.00 146 99.25 99.25 9.35e-92 PDB 4QBV "Crystal Structure Of C117t Mutant Of Human Acidic Fibroblast Growth Factor In Sodium Citrate Buffer" 100.00 146 99.25 99.25 8.47e-92 PDB 4QC4 "Crystal Structure Of C117s Mutant Of Human Acidic Fibroblast Growth Factor" 100.00 146 99.25 99.25 8.95e-92 DBJ BAC29035 "unnamed protein product [Mus musculus]" 100.00 155 96.99 97.74 6.63e-91 DBJ BAF82451 "unnamed protein product [Homo sapiens]" 100.00 154 99.25 99.25 7.72e-91 DBJ BAG35227 "unnamed protein product [Homo sapiens]" 100.00 155 100.00 100.00 1.63e-93 DBJ BAI46827 "fibroblast growth factor 1 [synthetic construct]" 100.00 155 100.00 100.00 1.63e-93 EMBL CAA32448 "unnamed protein product [Rattus norvegicus]" 100.00 155 96.99 97.74 6.63e-91 EMBL CAA36206 "unnamed protein product [Homo sapiens]" 100.00 155 100.00 100.00 1.63e-93 EMBL CAA42869 "acidic fibroblast growth factor [Sus scrofa]" 97.74 152 97.69 98.46 5.63e-89 EMBL CAA46661 "acidic fibroblast growth factor [Homo sapiens]" 100.00 155 100.00 100.00 1.63e-93 EMBL CAI29610 "hypothetical protein [Pongo abelii]" 100.00 214 100.00 100.00 1.30e-92 GB AAA37618 "acidic fibroblast growth factor [Mus musculus]" 100.00 155 96.99 97.74 6.63e-91 GB AAA52446 "acidic fibroblast growth factor [Homo sapiens]" 100.00 155 100.00 100.00 1.63e-93 GB AAA52638 "heparin-binding growth factor 1, partial [Homo sapiens]" 100.00 155 100.00 100.00 1.63e-93 GB AAA79245 "beta-endothelial cell growth factor [Homo sapiens]" 100.00 155 100.00 100.00 1.63e-93 GB AAB29057 "acidic fibroblast growth factor, partial [Homo sapiens]" 99.25 154 100.00 100.00 1.18e-92 PRF 1605206A "acidic fibroblast growth factor" 100.00 156 100.00 100.00 1.26e-93 REF NP_000791 "fibroblast growth factor 1 isoform 1 precursor [Homo sapiens]" 100.00 155 100.00 100.00 1.63e-93 REF NP_001127073 "fibroblast growth factor 1 [Pongo abelii]" 100.00 214 100.00 100.00 1.30e-92 REF NP_001138364 "fibroblast growth factor 1 isoform 1 precursor [Homo sapiens]" 100.00 155 100.00 100.00 1.63e-93 REF NP_001138406 "fibroblast growth factor 1 isoform 1 precursor [Homo sapiens]" 100.00 155 100.00 100.00 1.63e-93 REF NP_001138407 "fibroblast growth factor 1 isoform 1 precursor [Homo sapiens]" 100.00 155 100.00 100.00 1.63e-93 SP P05230 "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" 100.00 155 100.00 100.00 1.63e-93 SP P20002 "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" 97.74 152 97.69 98.46 5.63e-89 SP P34004 "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" 100.00 155 97.74 97.74 2.30e-91 SP P61148 "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" 100.00 155 96.99 97.74 6.63e-91 SP P61149 "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" 100.00 155 96.99 97.74 6.63e-91 stop_ save_ ############# # Ligands # ############# save_IHP _Saveframe_category ligand _Mol_type non-polymer _Name_common "IHP (INOSITOL HEXAKISPHOSPHATE)" _BMRB_code . _PDB_code IHP _Molecular_mass 660.035 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:26:33 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C N 0 . ? C2 C2 C N 0 . ? C3 C3 C N 0 . ? C4 C4 C N 0 . ? C5 C5 C N 0 . ? C6 C6 C N 0 . ? O11 O11 O N 0 . ? P1 P1 P N 0 . ? O21 O21 O N 0 . ? O31 O31 O N 0 . ? O41 O41 O N 0 . ? O12 O12 O N 0 . ? P2 P2 P N 0 . ? O22 O22 O N 0 . ? O32 O32 O N 0 . ? O42 O42 O N 0 . ? O13 O13 O N 0 . ? P3 P3 P N 0 . ? O23 O23 O N 0 . ? O33 O33 O N 0 . ? O43 O43 O N 0 . ? O14 O14 O N 0 . ? P4 P4 P N 0 . ? O24 O24 O N 0 . ? O34 O34 O N 0 . ? O44 O44 O N 0 . ? O15 O15 O N 0 . ? P5 P5 P N 0 . ? O25 O25 O N 0 . ? O35 O35 O N 0 . ? O45 O45 O N 0 . ? O16 O16 O N 0 . ? P6 P6 P N 0 . ? O26 O26 O N 0 . ? O36 O36 O N 0 . ? O46 O46 O N 0 . ? H1 H1 H N 0 . ? H2 H2 H N 0 . ? H3 H3 H N 0 . ? H4 H4 H N 0 . ? H5 H5 H N 0 . ? H6 H6 H N 0 . ? H31 H31 H N 0 . ? H41 H41 H N 0 . ? H32 H32 H N 0 . ? H42 H42 H N 0 . ? H33 H33 H N 0 . ? H43 H43 H N 0 . ? H34 H34 H N 0 . ? H44 H44 H N 0 . ? H35 H35 H N 0 . ? H45 H45 H N 0 . ? H36 H36 H N 0 . ? H46 H46 H N 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 C6 ? ? SING C1 O11 ? ? SING C1 H1 ? ? SING C2 C3 ? ? SING C2 O12 ? ? SING C2 H2 ? ? SING C3 C4 ? ? SING C3 O13 ? ? SING C3 H3 ? ? SING C4 C5 ? ? SING C4 O14 ? ? SING C4 H4 ? ? SING C5 C6 ? ? SING C5 O15 ? ? SING C5 H5 ? ? SING C6 O16 ? ? SING C6 H6 ? ? SING O11 P1 ? ? DOUB P1 O21 ? ? SING P1 O31 ? ? SING P1 O41 ? ? SING O31 H31 ? ? SING O41 H41 ? ? SING O12 P2 ? ? DOUB P2 O22 ? ? SING P2 O32 ? ? SING P2 O42 ? ? SING O32 H32 ? ? SING O42 H42 ? ? SING O13 P3 ? ? DOUB P3 O23 ? ? SING P3 O33 ? ? SING P3 O43 ? ? SING O33 H33 ? ? SING O43 H43 ? ? SING O14 P4 ? ? DOUB P4 O24 ? ? SING P4 O34 ? ? SING P4 O44 ? ? SING O34 H34 ? ? SING O44 H44 ? ? SING O15 P5 ? ? DOUB P5 O25 ? ? SING P5 O35 ? ? SING P5 O45 ? ? SING O35 H35 ? ? SING O45 H45 ? ? SING O16 P6 ? ? DOUB P6 O26 ? ? SING P6 O36 ? ? SING P6 O46 ? ? SING O36 H36 ? ? SING O46 H46 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $FGF-1 Human 9606 Eukaryota Metazoa Homo sapiens hFGF-1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $FGF-1 'recombinant technology' . . . . pET(20) $IHP 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.5 mM Conc FGF1-IP6 temperature 298 K. pH=6.8 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGF-1 1.5 mM '[U-100% 13C; U-100% 15N]' $IHP 1.5 mM 'natural abundance' 'ammonium sulfate' 100 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Aria _Saveframe_category software _Name Aria _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Dr. Michael Nilges, Institut Pasteur' ; Unite de Bioinformatique Structurale, Institut Pasteur, 25-28 rue du Dr Roux, 75015 Paris, France ; nilges@pasteur.fr stop_ loop_ _Task 'Automated NOE assignment' 'NMR structure calculation' stop_ _Details 'ARIA 1.1 is using CNS 1.1' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 0.1 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP H 1 'methyl protons' ppm 0 na direct . . . 1 TSP C 13 'methyl carbons' ppm 0 na indirect . . . 1 TSP N 15 'methyl carbons' ppm 0 na indirect . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set _Saveframe_category assigned_chemical_shifts _Details 'Derived from the file: /home/hanmin/FGF1/run39A2/data/15N/15N.ppm' loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 1H-15N TOCSY' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FGF-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 TYR H H 8.29 0.0 . 2 1 1 TYR HA H 4.58 0.0 . 3 1 1 TYR HB2 H 2.8 0.0 . 4 1 1 TYR HB3 H 3.25 0.0 . 5 1 1 TYR HD1 H 7.1 0.0 . 6 1 1 TYR HD2 H 7.1 0.0 . 7 1 1 TYR HE1 H 6.89 0.0 . 8 1 1 TYR HE2 H 6.89 0.0 . 9 1 1 TYR C C 174.19 0.0 . 10 1 1 TYR CA C 55.35 0.0 . 11 1 1 TYR N N 120.3 0.0 . 12 2 2 LYS H H 8.26 0.0 . 13 2 2 LYS HA H 4.15 0.0 . 14 2 2 LYS HB3 H 1.77 0.0 . 15 2 2 LYS C C 174.3 0.0 . 16 2 2 LYS CA C 51.02 0.0 . 17 2 2 LYS N N 120.28 0.0 . 18 3 3 LYS H H 7.96 0.0 . 19 3 3 LYS HA H 4.48 0.0 . 20 3 3 LYS HB2 H 1.48 0.0 . 21 3 3 LYS HB3 H 1.65 0.0 . 22 3 3 LYS CA C 51.9 0.0 . 23 3 3 LYS N N 119.59 0.0 . 24 4 4 PRO HA H 4.59 0.0 . 25 4 4 PRO HB3 H 2.03 0.0 . 26 4 4 PRO C C 172.3 0.0 . 27 4 4 PRO CA C 60.63 0.0 . 28 4 4 PRO CB C 30.49 0.0 . 29 5 5 LYS H H 9.34 0.0 . 30 5 5 LYS HA H 4.93 0.0 . 31 5 5 LYS HB2 H 1.39 0.0 . 32 5 5 LYS HB3 H 1.69 0.0 . 33 5 5 LYS C C 171.71 0.0 . 34 5 5 LYS CA C 51.38 0.0 . 35 5 5 LYS CB C 34.87 0.0 . 36 5 5 LYS N N 118.82 0.0 . 37 6 6 LEU H H 8.93 0.0 . 38 6 6 LEU HA H 4.77 0.0 . 39 6 6 LEU HB2 H 1.5 0.0 . 40 6 6 LEU HB3 H 1.7 0.0 . 41 6 6 LEU HD1 H 0.61 0.0 . 42 6 6 LEU HD2 H 0.53 0.0 . 43 6 6 LEU C C 174.68 0.0 . 44 6 6 LEU CA C 50.37 0.0 . 45 6 6 LEU CB C 41.35 0.0 . 46 6 6 LEU N N 117.17 0.0 . 47 7 7 LEU H H 10.29 0.0 . 48 7 7 LEU HA H 4.92 0.0 . 49 7 7 LEU HB2 H 1.2 0.0 . 50 7 7 LEU HB3 H 1.52 0.0 . 51 7 7 LEU C C 172.37 0.0 . 52 7 7 LEU CA C 51.87 0.0 . 53 7 7 LEU N N 124.62 0.0 . 54 8 8 TYR H H 8.47 0.0 . 55 8 8 TYR HA H 4.48 0.0 . 56 8 8 TYR HB2 H 2.82 0.0 . 57 8 8 TYR HB3 H 3.25 0.0 . 58 8 8 TYR C C 171.37 0.0 . 59 8 8 TYR CA C 54.71 0.0 . 60 8 8 TYR CB C 38.05 0.0 . 61 8 8 TYR N N 125.3 0.0 . 62 9 9 CYS H H 9.11 0.0 . 63 9 9 CYS HA H 4.16 0.0 . 64 9 9 CYS HB2 H 2.4 0.0 . 65 9 9 CYS HB3 H 2.44 0.0 . 66 9 9 CYS C C 172.48 0.0 . 67 9 9 CYS CA C 55.41 0.0 . 68 9 9 CYS CB C 27.15 0.0 . 69 9 9 CYS N N 129.53 0.0 . 70 10 10 SER H H 8.23 0.0 . 71 10 10 SER HA H 3.8 0.0 . 72 10 10 SER HB3 H 3.78 0.0 . 73 10 10 SER C C 172.21 0.0 . 74 10 10 SER CA C 57.77 0.0 . 75 10 10 SER CB C 61.82 0.0 . 76 10 10 SER N N 122.54 0.0 . 77 11 11 ASN H H 7.44 0.0 . 78 11 11 ASN HA H 4.26 0.0 . 79 11 11 ASN HB3 H 3.77 0.0 . 80 11 11 ASN CA C 52.43 0.0 . 81 11 11 ASN N N 119.69 0.0 . 82 12 12 GLY HA2 H 3.8 0.0 . 83 12 12 GLY HA3 H 4.14 0.0 . 84 12 12 GLY CA C 41.9 0.0 . 85 13 13 GLY H H 7.08 0.0 . 86 13 13 GLY HA2 H 3.14 0.0 . 87 13 13 GLY HA3 H 3.51 0.0 . 88 13 13 GLY C C 170.44 0.0 . 89 13 13 GLY CA C 44.27 0.0 . 90 13 13 GLY N N 109.03 0.0 . 91 14 14 HIS H H 6.37 0.0 . 92 14 14 HIS HA H 4.02 0.0 . 93 14 14 HIS HB2 H 2.4 0.0 . 94 14 14 HIS HB3 H 2.55 0.0 . 95 14 14 HIS C C 171.4 0.0 . 96 14 14 HIS CA C 54.22 0.0 . 97 14 14 HIS CB C 32.0 0.0 . 98 14 14 HIS N N 113.51 0.0 . 99 15 15 PHE H H 9.27 0.0 . 100 15 15 PHE HA H 5.17 0.0 . 101 15 15 PHE HB2 H 2.89 0.0 . 102 15 15 PHE HB3 H 3.18 0.0 . 103 15 15 PHE HE1 H 7.02 0.0 . 104 15 15 PHE C C 173.7 0.0 . 105 15 15 PHE CA C 54.01 0.0 . 106 15 15 PHE N N 119.85 0.0 . 107 16 16 LEU H H 8.46 0.0 . 108 16 16 LEU HA H 4.31 0.0 . 109 16 16 LEU HB2 H 1.19 0.0 . 110 16 16 LEU HB3 H 1.74 0.0 . 111 16 16 LEU C C 171.72 0.0 . 112 16 16 LEU CA C 54.71 0.0 . 113 16 16 LEU CB C 41.19 0.0 . 114 16 16 LEU N N 124.8 0.0 . 115 17 17 ARG H H 9.33 0.0 . 116 17 17 ARG HA H 4.65 0.0 . 117 17 17 ARG HB2 H 1.11 0.0 . 118 17 17 ARG HB3 H 2.49 0.0 . 119 17 17 ARG HG2 H 1.23 0.0 . 120 17 17 ARG HG3 H 1.32 0.0 . 121 17 17 ARG C C 171.26 0.0 . 122 17 17 ARG CA C 53.34 0.0 . 123 17 17 ARG CB C 32.63 0.0 . 124 17 17 ARG N N 126.67 0.0 . 125 18 18 ILE H H 6.92 0.0 . 126 18 18 ILE HA H 4.56 0.0 . 127 18 18 ILE HB H 1.54 0.0 . 128 18 18 ILE HG2 H 0.5 0.0 . 129 18 18 ILE C C 173.74 0.0 . 130 18 18 ILE CA C 57.84 0.0 . 131 18 18 ILE CB C 36.71 0.0 . 132 18 18 ILE N N 120.67 0.0 . 133 19 19 LEU H H 8.9 0.0 . 134 19 19 LEU HA H 4.04 0.0 . 135 19 19 LEU HB2 H 1.55 0.0 . 136 19 19 LEU HB3 H 1.85 0.0 . 137 19 19 LEU CA C 51.51 0.0 . 138 19 19 LEU N N 128.0 0.0 . 139 20 20 PRO HA H 4.16 0.0 . 140 20 20 PRO HB2 H 1.84 0.0 . 141 20 20 PRO HB3 H 2.21 0.0 . 142 20 20 PRO HD2 H 3.42 0.0 . 143 20 20 PRO HG2 H 1.75 0.0 . 144 20 20 PRO C C 173.93 0.0 . 145 20 20 PRO CA C 62.73 0.0 . 146 20 20 PRO CB C 29.32 0.0 . 147 21 21 ASP H H 7.38 0.0 . 148 21 21 ASP HA H 4.41 0.0 . 149 21 21 ASP HB2 H 2.46 0.0 . 150 21 21 ASP HB3 H 2.97 0.0 . 151 21 21 ASP C C 174.61 0.0 . 152 21 21 ASP CA C 51.19 0.0 . 153 21 21 ASP CB C 37.32 0.0 . 154 21 21 ASP N N 113.77 0.0 . 155 22 22 GLY H H 8.37 0.0 . 156 22 22 GLY HA2 H 3.75 0.0 . 157 22 22 GLY HA3 H 4.48 0.0 . 158 22 22 GLY C C 172.57 0.0 . 159 22 22 GLY CA C 43.1 0.0 . 160 22 22 GLY N N 108.91 0.0 . 161 23 23 THR H H 7.81 0.0 . 162 23 23 THR HA H 4.37 0.0 . 163 23 23 THR HB H 4.1 0.0 . 164 23 23 THR HG2 H 1.04 0.0 . 165 23 23 THR C C 169.97 0.0 . 166 23 23 THR CA C 61.05 0.0 . 167 23 23 THR CB C 67.45 0.0 . 168 23 23 THR N N 116.23 0.0 . 169 24 24 VAL H H 7.89 0.0 . 170 24 24 VAL HA H 4.92 0.0 . 171 24 24 VAL HB H 1.55 0.0 . 172 24 24 VAL HG1 H 0.75 0.0 . 173 24 24 VAL C C 171.65 0.0 . 174 24 24 VAL CA C 58.07 0.0 . 175 24 24 VAL CB C 31.48 0.0 . 176 24 24 VAL N N 123.01 0.0 . 177 25 25 ASP H H 9.01 0.0 . 178 25 25 ASP HA H 4.32 0.0 . 179 25 25 ASP HB2 H 2.67 0.0 . 180 25 25 ASP HB3 H 2.9 0.0 . 181 25 25 ASP C C 170.12 0.0 . 182 25 25 ASP CA C 51.13 0.0 . 183 25 25 ASP CB C 38.41 0.0 . 184 25 25 ASP N N 130.89 0.0 . 185 26 26 GLY H H 7.93 0.0 . 186 26 26 GLY HA2 H 2.9 0.0 . 187 26 26 GLY HA3 H 5.42 0.0 . 188 26 26 GLY C C 169.98 0.0 . 189 26 26 GLY CA C 41.88 0.0 . 190 26 26 GLY N N 102.1 0.0 . 191 27 27 THR H H 8.5 0.0 . 192 27 27 THR HA H 5.06 0.0 . 193 27 27 THR HB H 3.88 0.0 . 194 27 27 THR HG2 H 1.2 0.0 . 195 27 27 THR C C 170.56 0.0 . 196 27 27 THR CA C 56.82 0.0 . 197 27 27 THR CB C 67.21 0.0 . 198 27 27 THR N N 111.95 0.0 . 199 28 28 ARG H H 8.95 0.0 . 200 28 28 ARG HA H 4.57 0.0 . 201 28 28 ARG HB2 H 1.63 0.0 . 202 28 28 ARG HB3 H 1.92 0.0 . 203 28 28 ARG C C 172.34 0.0 . 204 28 28 ARG CA C 54.93 0.0 . 205 28 28 ARG CB C 37.09 0.0 . 206 28 28 ARG N N 127.05 0.0 . 207 29 29 ASP H H 8.32 0.0 . 208 29 29 ASP HA H 4.55 0.0 . 209 29 29 ASP HB2 H 2.54 0.0 . 210 29 29 ASP HB3 H 3.1 0.0 . 211 29 29 ASP C C 173.04 0.0 . 212 29 29 ASP CA C 51.35 0.0 . 213 29 29 ASP CB C 30.26 0.0 . 214 29 29 ASP N N 120.65 0.0 . 215 30 30 ARG H H 8.28 0.0 . 216 30 30 ARG HA H 3.46 0.0 . 217 30 30 ARG HB3 H 1.64 0.0 . 218 30 30 ARG HD2 H 3.1 0.0 . 219 30 30 ARG HG2 H 1.34 0.0 . 220 30 30 ARG C C 173.5 0.0 . 221 30 30 ARG CA C 54.8 0.0 . 222 30 30 ARG CB C 28.23 0.0 . 223 30 30 ARG N N 125.87 0.0 . 224 31 31 SER H H 8.36 0.0 . 225 31 31 SER HA H 4.27 0.0 . 226 31 31 SER HB2 H 3.73 0.0 . 227 31 31 SER HB3 H 3.89 0.0 . 228 31 31 SER C C 171.72 0.0 . 229 31 31 SER CA C 55.91 0.0 . 230 31 31 SER CB C 61.75 0.0 . 231 31 31 SER N N 113.49 0.0 . 232 32 32 ASP H H 7.07 0.0 . 233 32 32 ASP HA H 4.15 0.0 . 234 32 32 ASP HB2 H 2.59 0.0 . 235 32 32 ASP HB3 H 2.62 0.0 . 236 32 32 ASP C C 174.71 0.0 . 237 32 32 ASP CA C 53.0 0.0 . 238 32 32 ASP CB C 41.58 0.0 . 239 32 32 ASP N N 124.65 0.0 . 240 33 33 GLN H H 8.85 0.0 . 241 33 33 GLN HA H 3.89 0.0 . 242 33 33 GLN HB2 H 1.4 0.0 . 243 33 33 GLN HB3 H 1.64 0.0 . 244 33 33 GLN HE21 H 7.36 0.0 . 245 33 33 GLN HE22 H 6.66 0.0 . 246 33 33 GLN HG2 H 1.98 0.0 . 247 33 33 GLN C C 175.2 0.0 . 248 33 33 GLN CA C 55.35 0.0 . 249 33 33 GLN CB C 26.51 0.0 . 250 33 33 GLN N N 125.05 0.0 . 251 33 33 GLN NE2 N 112.0 0.0 . 252 34 34 HIS H H 9.65 0.0 . 253 34 34 HIS HA H 3.76 0.0 . 254 34 34 HIS HB3 H 2.87 0.0 . 255 34 34 HIS C C 172.47 0.0 . 256 34 34 HIS CA C 56.47 0.0 . 257 34 34 HIS CB C 26.16 0.0 . 258 34 34 HIS N N 117.24 0.0 . 259 35 35 ILE H H 6.68 0.0 . 260 35 35 ILE HA H 4.99 0.0 . 261 35 35 ILE HB H 2.3 0.0 . 262 35 35 ILE HD1 H 0.54 0.0 . 263 35 35 ILE HG12 H 1.52 0.0 . 264 35 35 ILE HG2 H 0.82 0.0 . 265 35 35 ILE C C 172.36 0.0 . 266 35 35 ILE CA C 58.22 0.0 . 267 35 35 ILE CB C 35.68 0.0 . 268 35 35 ILE N N 108.33 0.0 . 269 36 36 GLN H H 6.94 0.0 . 270 36 36 GLN HA H 4.12 0.0 . 271 36 36 GLN HB2 H 1.78 0.0 . 272 36 36 GLN HB3 H 1.97 0.0 . 273 36 36 GLN HE21 H 7.44 0.0 . 274 36 36 GLN HE22 H 6.63 0.0 . 275 36 36 GLN C C 172.7 0.0 . 276 36 36 GLN CA C 54.83 0.0 . 277 36 36 GLN CB C 25.08 0.0 . 278 36 36 GLN N N 119.36 0.0 . 279 36 36 GLN NE2 N 110.1 0.0 . 280 37 37 LEU H H 9.07 0.0 . 281 37 37 LEU HA H 5.18 0.0 . 282 37 37 LEU HB2 H 0.88 0.0 . 283 37 37 LEU HB3 H 1.5 0.0 . 284 37 37 LEU HD1 H 0.72 0.0 . 285 37 37 LEU HD2 H 0.59 0.0 . 286 37 37 LEU C C 172.88 0.0 . 287 37 37 LEU CA C 51.23 0.0 . 288 37 37 LEU CB C 41.96 0.0 . 289 37 37 LEU N N 127.61 0.0 . 290 38 38 GLN H H 9.58 0.0 . 291 38 38 GLN HA H 4.49 0.0 . 292 38 38 GLN HB3 H 1.71 0.0 . 293 38 38 GLN C C 172.67 0.0 . 294 38 38 GLN CA C 51.8 0.0 . 295 38 38 GLN CB C 29.06 0.0 . 296 38 38 GLN N N 120.57 0.0 . 297 39 39 LEU H H 8.92 0.0 . 298 39 39 LEU HA H 5.41 0.0 . 299 39 39 LEU HB2 H 1.45 0.0 . 300 39 39 LEU HB3 H 1.52 0.0 . 301 39 39 LEU HD1 H 0.89 0.0 . 302 39 39 LEU HD2 H 0.79 0.0 . 303 39 39 LEU C C 174.62 0.0 . 304 39 39 LEU CA C 52.92 0.0 . 305 39 39 LEU CB C 40.57 0.0 . 306 39 39 LEU N N 131.66 0.0 . 307 40 40 SER H H 8.52 0.0 . 308 40 40 SER HA H 4.55 0.0 . 309 40 40 SER HB3 H 3.73 0.0 . 310 40 40 SER C C 170.02 0.0 . 311 40 40 SER CA C 54.8 0.0 . 312 40 40 SER CB C 62.88 0.0 . 313 40 40 SER N N 115.37 0.0 . 314 41 41 ALA H H 8.35 0.0 . 315 41 41 ALA HA H 4.92 0.0 . 316 41 41 ALA HB H 1.19 0.0 . 317 41 41 ALA C C 175.39 0.0 . 318 41 41 ALA CA C 49.15 0.0 . 319 41 41 ALA CB C 40.32 0.0 . 320 41 41 ALA N N 125.25 0.0 . 321 42 42 GLU H H 8.5 0.0 . 322 42 42 GLU HA H 4.31 0.0 . 323 42 42 GLU HB2 H 1.7 0.0 . 324 42 42 GLU HB3 H 1.89 0.0 . 325 42 42 GLU HG2 H 2.09 0.0 . 326 42 42 GLU HG3 H 2.22 0.0 . 327 42 42 GLU C C 174.01 0.0 . 328 42 42 GLU CA C 54.7 0.0 . 329 42 42 GLU CB C 28.12 0.0 . 330 42 42 GLU N N 125.01 0.0 . 331 43 43 SER H H 8.01 0.0 . 332 43 43 SER HA H 4.4 0.0 . 333 43 43 SER HB2 H 3.59 0.0 . 334 43 43 SER HB3 H 3.71 0.0 . 335 43 43 SER C C 171.06 0.0 . 336 43 43 SER CA C 54.94 0.0 . 337 43 43 SER CB C 61.63 0.0 . 338 43 43 SER N N 113.62 0.0 . 339 44 44 VAL H H 8.11 0.0 . 340 44 44 VAL HA H 3.73 0.0 . 341 44 44 VAL HB H 1.92 0.0 . 342 44 44 VAL HG1 H 1.08 0.0 . 343 44 44 VAL HG2 H 0.99 0.0 . 344 44 44 VAL C C 175.59 0.0 . 345 44 44 VAL CA C 62.91 0.0 . 346 44 44 VAL CB C 28.85 0.0 . 347 44 44 VAL N N 120.94 0.0 . 348 45 45 GLY H H 8.83 0.0 . 349 45 45 GLY HA2 H 3.87 0.0 . 350 45 45 GLY HA3 H 4.19 0.0 . 351 45 45 GLY C C 173.68 0.0 . 352 45 45 GLY CA C 43.52 0.0 . 353 45 45 GLY N N 115.41 0.0 . 354 46 46 GLU H H 7.97 0.0 . 355 46 46 GLU HA H 5.31 0.0 . 356 46 46 GLU HB2 H 1.7 0.0 . 357 46 46 GLU HB3 H 1.74 0.0 . 358 46 46 GLU HG2 H 2.01 0.0 . 359 46 46 GLU HG3 H 2.11 0.0 . 360 46 46 GLU C C 173.55 0.0 . 361 46 46 GLU CA C 52.65 0.0 . 362 46 46 GLU CB C 29.22 0.0 . 363 46 46 GLU N N 121.11 0.0 . 364 47 47 VAL H H 9.55 0.0 . 365 47 47 VAL HA H 5.41 0.0 . 366 47 47 VAL HB H 2.16 0.0 . 367 47 47 VAL HG1 H 0.99 0.0 . 368 47 47 VAL HG2 H 0.89 0.0 . 369 47 47 VAL C C 173.03 0.0 . 370 47 47 VAL CA C 56.71 0.0 . 371 47 47 VAL CB C 33.53 0.0 . 372 47 47 VAL N N 116.03 0.0 . 373 48 48 TYR H H 8.41 0.0 . 374 48 48 TYR HA H 5.16 0.0 . 375 48 48 TYR HB2 H 2.9 0.0 . 376 48 48 TYR HB3 H 3.15 0.0 . 377 48 48 TYR C C 173.46 0.0 . 378 48 48 TYR CA C 54.31 0.0 . 379 48 48 TYR CB C 39.04 0.0 . 380 48 48 TYR N N 117.3 0.0 . 381 49 49 ILE H H 10.52 0.0 . 382 49 49 ILE HA H 4.18 0.0 . 383 49 49 ILE HB H 1.48 0.0 . 384 49 49 ILE HD1 H -0.22 0.0 . 385 49 49 ILE HG12 H 1.38 0.0 . 386 49 49 ILE HG2 H 0.47 0.0 . 387 49 49 ILE C C 170.82 0.0 . 388 49 49 ILE CA C 59.64 0.0 . 389 49 49 ILE N N 122.88 0.0 . 390 50 50 LYS H H 8.45 0.0 . 391 50 50 LYS HA H 4.85 0.0 . 392 50 50 LYS HB2 H 0.98 0.0 . 393 50 50 LYS HB3 H 1.21 0.0 . 394 50 50 LYS HD2 H 1.17 0.0 . 395 50 50 LYS HE2 H 2.5 0.0 . 396 50 50 LYS HE3 H 2.6 0.0 . 397 50 50 LYS HG2 H 0.26 0.0 . 398 50 50 LYS HG3 H 0.66 0.0 . 399 50 50 LYS C C 173.78 0.0 . 400 50 50 LYS CA C 51.06 0.0 . 401 50 50 LYS CB C 34.77 0.0 . 402 50 50 LYS N N 125.7 0.0 . 403 51 51 SER H H 8.9 0.0 . 404 51 51 SER HA H 4.54 0.0 . 405 51 51 SER HB3 H 3.76 0.0 . 406 51 51 SER C C 175.0 0.0 . 407 51 51 SER CA C 54.89 0.0 . 408 51 51 SER CB C 61.05 0.0 . 409 51 51 SER N N 117.47 0.0 . 410 52 52 THR H H 8.33 0.0 . 411 52 52 THR HA H 3.85 0.0 . 412 52 52 THR HB H 4.06 0.0 . 413 52 52 THR HG2 H 1.15 0.0 . 414 52 52 THR C C 173.81 0.0 . 415 52 52 THR CA C 62.94 0.0 . 416 52 52 THR CB C 65.53 0.0 . 417 52 52 THR N N 123.31 0.0 . 418 53 53 GLU H H 8.41 0.0 . 419 53 53 GLU HA H 4.18 0.0 . 420 53 53 GLU HB2 H 1.75 0.0 . 421 53 53 GLU HB3 H 2.02 0.0 . 422 53 53 GLU C C 175.35 0.0 . 423 53 53 GLU CA C 55.9 0.0 . 424 53 53 GLU CB C 28.25 0.0 . 425 53 53 GLU N N 121.72 0.0 . 426 54 54 THR H H 7.69 0.0 . 427 54 54 THR HA H 4.56 0.0 . 428 54 54 THR HB H 4.42 0.0 . 429 54 54 THR HG2 H 1.26 0.0 . 430 54 54 THR C C 173.89 0.0 . 431 54 54 THR CA C 58.58 0.0 . 432 54 54 THR CB C 69.06 0.0 . 433 54 54 THR N N 102.55 0.0 . 434 55 55 GLY H H 7.67 0.0 . 435 55 55 GLY HA2 H 3.46 0.0 . 436 55 55 GLY HA3 H 4.02 0.0 . 437 55 55 GLY C C 170.61 0.0 . 438 55 55 GLY CA C 43.49 0.0 . 439 55 55 GLY N N 110.6 0.0 . 440 56 56 GLN H H 7.13 0.0 . 441 56 56 GLN HA H 4.2 0.0 . 442 56 56 GLN HE21 H 7.02 0.0 . 443 56 56 GLN HE22 H 6.38 0.0 . 444 56 56 GLN C C 172.01 0.0 . 445 56 56 GLN CA C 53.86 0.0 . 446 56 56 GLN CB C 30.27 0.0 . 447 56 56 GLN N N 115.39 0.0 . 448 56 56 GLN NE2 N 106.6 0.0 . 449 57 57 TYR H H 9.25 0.0 . 450 57 57 TYR HA H 4.72 0.0 . 451 57 57 TYR HB2 H 2.7 0.0 . 452 57 57 TYR HB3 H 2.99 0.0 . 453 57 57 TYR C C 173.82 0.0 . 454 57 57 TYR CA C 54.67 0.0 . 455 57 57 TYR CB C 38.58 0.0 . 456 57 57 TYR N N 119.1 0.0 . 457 58 58 LEU H H 9.06 0.0 . 458 58 58 LEU HA H 4.01 0.0 . 459 58 58 LEU HB2 H 0.91 0.0 . 460 58 58 LEU HB3 H 1.77 0.0 . 461 58 58 LEU HD1 H 0.2 0.0 . 462 58 58 LEU HG H 1.64 0.0 . 463 58 58 LEU C C 172.4 0.0 . 464 58 58 LEU CA C 53.29 0.0 . 465 58 58 LEU CB C 40.35 0.0 . 466 58 58 LEU N N 123.4 0.0 . 467 59 59 ALA H H 8.59 0.0 . 468 59 59 ALA HA H 4.99 0.0 . 469 59 59 ALA HB H 0.5 0.0 . 470 59 59 ALA C C 172.62 0.0 . 471 59 59 ALA CA C 48.5 0.0 . 472 59 59 ALA CB C 21.16 0.0 . 473 59 59 ALA N N 126.6 0.0 . 474 60 60 MET H H 7.53 0.0 . 475 60 60 MET HA H 5.45 0.0 . 476 60 60 MET HB2 H 2.07 0.0 . 477 60 60 MET HB3 H 2.34 0.0 . 478 60 60 MET C C 173.7 0.0 . 479 60 60 MET CA C 52.14 0.0 . 480 60 60 MET CB C 34.98 0.0 . 481 60 60 MET N N 116.57 0.0 . 482 61 61 ASP H H 9.22 0.0 . 483 61 61 ASP HA H 4.94 0.0 . 484 61 61 ASP HB2 H 2.74 0.0 . 485 61 61 ASP HB3 H 3.48 0.0 . 486 61 61 ASP C C 175.94 0.0 . 487 61 61 ASP CA C 51.33 0.0 . 488 61 61 ASP CB C 39.29 0.0 . 489 61 61 ASP N N 128.18 0.0 . 490 62 62 THR H H 7.98 0.0 . 491 62 62 THR HA H 4.02 0.0 . 492 62 62 THR HB H 4.36 0.0 . 493 62 62 THR HG2 H 1.32 0.0 . 494 62 62 THR C C 172.45 0.0 . 495 62 62 THR CA C 62.73 0.0 . 496 62 62 THR CB C 66.89 0.0 . 497 62 62 THR N N 107.75 0.0 . 498 63 63 ASP H H 8.28 0.0 . 499 63 63 ASP HA H 4.85 0.0 . 500 63 63 ASP HB3 H 2.62 0.0 . 501 63 63 ASP C C 173.83 0.0 . 502 63 63 ASP CA C 51.95 0.0 . 503 63 63 ASP CB C 39.8 0.0 . 504 63 63 ASP N N 119.24 0.0 . 505 64 64 GLY H H 8.26 0.0 . 506 64 64 GLY HA2 H 3.19 0.0 . 507 64 64 GLY HA3 H 3.48 0.0 . 508 64 64 GLY C C 171.32 0.0 . 509 64 64 GLY CA C 42.89 0.0 . 510 64 64 GLY N N 109.31 0.0 . 511 65 65 LEU H H 8.54 0.0 . 512 65 65 LEU HA H 4.62 0.0 . 513 65 65 LEU HB2 H 1.54 0.0 . 514 65 65 LEU HB3 H 2.06 0.0 . 515 65 65 LEU HD1 H 0.8 0.0 . 516 65 65 LEU HG H 1.764 0.0 . 517 65 65 LEU C C 177.22 0.0 . 518 65 65 LEU CA C 51.95 0.0 . 519 65 65 LEU N N 123.81 0.0 . 520 66 66 LEU H H 7.5 0.0 . 521 66 66 LEU HA H 5.58 0.0 . 522 66 66 LEU HB2 H 1.29 0.0 . 523 66 66 LEU HB3 H 1.95 0.0 . 524 66 66 LEU HD1 H 1.42 0.0 . 525 66 66 LEU HD2 H 1.02 0.0 . 526 66 66 LEU HG H 2.13 0.0 . 527 66 66 LEU C C 174.65 0.0 . 528 66 66 LEU CA C 51.51 0.0 . 529 66 66 LEU CB C 40.26 0.0 . 530 66 66 LEU N N 123.85 0.0 . 531 67 67 TYR H H 9.25 0.0 . 532 67 67 TYR HA H 4.86 0.0 . 533 67 67 TYR HB3 H 2.97 0.0 . 534 67 67 TYR HD1 H 7.04 0.0 . 535 67 67 TYR HD2 H 7.04 0.0 . 536 67 67 TYR HE1 H 6.44 0.0 . 537 67 67 TYR HE2 H 6.44 0.0 . 538 67 67 TYR C C 169.51 0.0 . 539 67 67 TYR CA C 54.02 0.0 . 540 67 67 TYR CB C 38.82 0.0 . 541 67 67 TYR N N 120.45 0.0 . 542 68 68 GLY H H 8.79 0.0 . 543 68 68 GLY HA2 H 2.98 0.0 . 544 68 68 GLY HA3 H 4.55 0.0 . 545 68 68 GLY C C 170.58 0.0 . 546 68 68 GLY CA C 41.36 0.0 . 547 68 68 GLY N N 105.17 0.0 . 548 69 69 SER H H 9.61 0.0 . 549 69 69 SER HA H 4.86 0.0 . 550 69 69 SER HB2 H 3.42 0.0 . 551 69 69 SER HB3 H 3.79 0.0 . 552 69 69 SER C C 174.25 0.0 . 553 69 69 SER CA C 53.59 0.0 . 554 69 69 SER CB C 63.03 0.0 . 555 69 69 SER N N 119.63 0.0 . 556 70 70 GLN H H 9.3 0.0 . 557 70 70 GLN HA H 4.19 0.0 . 558 70 70 GLN HB2 H 2.08 0.0 . 559 70 70 GLN HB3 H 2.22 0.0 . 560 70 70 GLN HE21 H 7.36 0.0 . 561 70 70 GLN HE22 H 6.86 0.0 . 562 70 70 GLN C C 173.24 0.0 . 563 70 70 GLN CA C 56.05 0.0 . 564 70 70 GLN CB C 31.75 0.0 . 565 70 70 GLN N N 126.95 0.0 . 566 70 70 GLN NE2 N 112.2 0.0 . 567 71 71 THR H H 7.52 0.0 . 568 71 71 THR HA H 4.71 0.0 . 569 71 71 THR HG2 H 1.1 0.0 . 570 71 71 THR CA C 55.2 0.0 . 571 71 71 THR N N 107.86 0.0 . 572 72 72 PRO HA H 4.06 0.0 . 573 72 72 PRO HB2 H 0.2 0.0 . 574 72 72 PRO HB3 H 1.17 0.0 . 575 72 72 PRO HD2 H 3.35 0.0 . 576 72 72 PRO HD3 H 3.47 0.0 . 577 72 72 PRO C C 172.95 0.0 . 578 72 72 PRO CA C 59.97 0.0 . 579 72 72 PRO CB C 26.64 0.0 . 580 73 73 ASN H H 7.32 0.0 . 581 73 73 ASN HA H 4.64 0.0 . 582 73 73 ASN HB2 H 2.9 0.0 . 583 73 73 ASN HB3 H 3.08 0.0 . 584 73 73 ASN CA C 49.98 0.0 . 585 73 73 ASN N N 118.76 0.0 . 586 74 74 GLU H H 9.03 0.0 . 587 74 74 GLU HA H 4.02 0.0 . 588 74 74 GLU HB2 H 1.93 0.0 . 589 74 74 GLU HB3 H 2.03 0.0 . 590 74 74 GLU C C 176.34 0.0 . 591 74 74 GLU CA C 57.1 0.0 . 592 74 74 GLU CB C 26.86 0.0 . 593 75 75 GLU H H 8.55 0.0 . 594 75 75 GLU HA H 4.07 0.0 . 595 75 75 GLU HB2 H 2.33 0.0 . 596 75 75 GLU HB3 H 2.5 0.0 . 597 75 75 GLU C C 173.8 0.0 . 598 75 75 GLU CA C 56.13 0.0 . 599 75 75 GLU CB C 25.82 0.0 . 600 75 75 GLU N N 118.96 0.0 . 601 76 76 CYS H H 7.72 0.0 . 602 76 76 CYS HA H 5.31 0.0 . 603 76 76 CYS HB2 H 3.2 0.0 . 604 76 76 CYS HB3 H 3.61 0.0 . 605 76 76 CYS C C 170.93 0.0 . 606 76 76 CYS CA C 55.53 0.0 . 607 76 76 CYS CB C 25.77 0.0 . 608 76 76 CYS N N 113.26 0.0 . 609 77 77 LEU H H 6.23 0.0 . 610 77 77 LEU HA H 4.43 0.0 . 611 77 77 LEU HB2 H 1.03 0.0 . 612 77 77 LEU HB3 H 1.3 0.0 . 613 77 77 LEU HD1 H 0.65 0.0 . 614 77 77 LEU HD2 H 0.38 0.0 . 615 77 77 LEU HG H 1.27 0.0 . 616 77 77 LEU C C 173.85 0.0 . 617 77 77 LEU CA C 51.76 0.0 . 618 77 77 LEU CB C 42.14 0.0 . 619 77 77 LEU N N 117.8 0.0 . 620 78 78 PHE H H 9.11 0.0 . 621 78 78 PHE HA H 5.01 0.0 . 622 78 78 PHE HB2 H 2.67 0.0 . 623 78 78 PHE HB3 H 2.82 0.0 . 624 78 78 PHE C C 171.94 0.0 . 625 78 78 PHE CA C 54.82 0.0 . 626 78 78 PHE CB C 40.42 0.0 . 627 78 78 PHE N N 122.18 0.0 . 628 79 79 LEU H H 9.95 0.0 . 629 79 79 LEU HA H 5.08 0.0 . 630 79 79 LEU HB2 H 1.34 0.0 . 631 79 79 LEU HB3 H 1.78 0.0 . 632 79 79 LEU HD1 H 0.87 0.0 . 633 79 79 LEU HG H 1.51 0.0 . 634 79 79 LEU C C 173.7 0.0 . 635 79 79 LEU CA C 51.03 0.0 . 636 79 79 LEU CB C 38.56 0.0 . 637 79 79 LEU N N 121.78 0.0 . 638 80 80 GLU H H 8.18 0.0 . 639 80 80 GLU HA H 4.73 0.0 . 640 80 80 GLU HB2 H 1.8 0.0 . 641 80 80 GLU HB3 H 1.91 0.0 . 642 80 80 GLU C C 173.41 0.0 . 643 80 80 GLU CA C 52.37 0.0 . 644 80 80 GLU CB C 30.91 0.0 . 645 80 80 GLU N N 125.88 0.0 . 646 81 81 ARG H H 8.81 0.0 . 647 81 81 ARG HA H 4.59 0.0 . 648 81 81 ARG HB2 H 1.71 0.0 . 649 81 81 ARG HB3 H 1.73 0.0 . 650 81 81 ARG HD2 H 3.21 0.0 . 651 81 81 ARG HG2 H 1.5 0.0 . 652 81 81 ARG C C 172.23 0.0 . 653 81 81 ARG CA C 51.13 0.0 . 654 81 81 ARG CB C 30.25 0.0 . 655 81 81 ARG N N 129.58 0.0 . 656 82 82 LEU H H 8.32 0.0 . 657 82 82 LEU HA H 4.75 0.0 . 658 82 82 LEU HB2 H 1.37 0.0 . 659 82 82 LEU HB3 H 1.62 0.0 . 660 82 82 LEU HD1 H 0.86 0.0 . 661 82 82 LEU HG H 1.64 0.0 . 662 82 82 LEU C C 174.56 0.0 . 663 82 82 LEU CA C 52.75 0.0 . 664 82 82 LEU CB C 40.21 0.0 . 665 82 82 LEU N N 125.76 0.0 . 666 83 83 GLU H H 9.09 0.0 . 667 83 83 GLU HA H 4.6 0.0 . 668 83 83 GLU HB3 H 2.12 0.0 . 669 83 83 GLU CA C 52.13 0.0 . 670 83 83 GLU CB C 30.3 0.0 . 671 83 83 GLU N N 125.69 0.0 . 672 84 84 GLU H H 8.72 0.0 . 673 84 84 GLU HA H 3.99 0.0 . 674 84 84 GLU HB3 H 2.0 0.0 . 675 84 84 GLU CA C 55.47 0.0 . 676 84 84 GLU CB C 27.26 0.0 . 677 84 84 GLU N N 119.73 0.0 . 678 85 85 ASN H H 8.46 0.0 . 679 85 85 ASN HA H 4.21 0.0 . 680 85 85 ASN HB2 H 2.9 0.0 . 681 85 85 ASN HB3 H 2.94 0.0 . 682 85 85 ASN C C 172.13 0.0 . 683 85 85 ASN CA C 51.87 0.0 . 684 85 85 ASN CB C 35.12 0.0 . 685 85 85 ASN N N 114.47 0.0 . 686 86 86 HIS H H 8.08 0.0 . 687 86 86 HIS HA H 4.14 0.0 . 688 86 86 HIS HB2 H 3.14 0.0 . 689 86 86 HIS HB3 H 3.28 0.0 . 690 86 86 HIS C C 171.13 0.0 . 691 86 86 HIS CA C 55.25 0.0 . 692 86 86 HIS CB C 25.25 0.0 . 693 86 86 HIS N N 108.39 0.0 . 694 87 87 TYR H H 7.56 0.0 . 695 87 87 TYR HA H 4.74 0.0 . 696 87 87 TYR HB3 H 2.99 0.0 . 697 87 87 TYR C C 171.98 0.0 . 698 87 87 TYR CA C 55.96 0.0 . 699 87 87 TYR CB C 38.63 0.0 . 700 87 87 TYR N N 117.6 0.0 . 701 88 88 ASN H H 9.82 0.0 . 702 88 88 ASN HA H 5.75 0.0 . 703 88 88 ASN HB2 H 2.31 0.0 . 704 88 88 ASN HB3 H 2.54 0.0 . 705 88 88 ASN HD21 H 6.72 0.0 . 706 88 88 ASN HD22 H 6.5 0.0 . 707 88 88 ASN C C 172.65 0.0 . 708 88 88 ASN CA C 49.9 0.0 . 709 88 88 ASN CB C 40.4 0.0 . 710 88 88 ASN N N 118.37 0.0 . 711 88 88 ASN ND2 N 106.93 0.0 . 712 89 89 THR H H 8.4 0.0 . 713 89 89 THR HA H 5.02 0.0 . 714 89 89 THR HB H 4.45 0.0 . 715 89 89 THR HG2 H 1.31 0.0 . 716 89 89 THR C C 170.6 0.0 . 717 89 89 THR CA C 57.38 0.0 . 718 89 89 THR CB C 70.87 0.0 . 719 89 89 THR N N 108.3 0.0 . 720 90 90 TYR H H 10.33 0.0 . 721 90 90 TYR HA H 5.32 0.0 . 722 90 90 TYR HB3 H 2.36 0.0 . 723 90 90 TYR HD1 H 6.47 0.0 . 724 90 90 TYR HD2 H 6.47 0.0 . 725 90 90 TYR HE1 H 6.58 0.0 . 726 90 90 TYR HE2 H 6.58 0.0 . 727 90 90 TYR C C 172.35 0.0 . 728 90 90 TYR CA C 55.23 0.0 . 729 90 90 TYR CB C 47.11 0.0 . 730 90 90 TYR N N 119.01 0.0 . 731 91 91 ILE H H 8.68 0.0 . 732 91 91 ILE HA H 4.54 0.0 . 733 91 91 ILE HD1 H 0.54 0.0 . 734 91 91 ILE HG2 H 0.63 0.0 . 735 91 91 ILE C C 172.92 0.0 . 736 91 91 ILE CA C 57.08 0.0 . 737 91 91 ILE CB C 39.27 0.0 . 738 91 91 ILE N N 122.19 0.0 . 739 92 92 SER H H 8.2 0.0 . 740 92 92 SER HA H 4.37 0.0 . 741 92 92 SER HB3 H 3.85 0.0 . 742 92 92 SER C C 172.86 0.0 . 743 92 92 SER CA C 56.25 0.0 . 744 92 92 SER CB C 62.04 0.0 . 745 92 92 SER N N 120.01 0.0 . 746 93 93 LYS H H 7.95 0.0 . 747 93 93 LYS HA H 3.67 0.0 . 748 93 93 LYS HB2 H 1.08 0.0 . 749 93 93 LYS HB3 H 1.62 0.0 . 750 93 93 LYS HG2 H 1.22 0.0 . 751 93 93 LYS C C 177.05 0.0 . 752 93 93 LYS CA C 57.93 0.0 . 753 93 93 LYS CB C 30.77 0.0 . 754 93 93 LYS N N 129.79 0.0 . 755 94 94 LYS H H 8.64 0.0 . 756 94 94 LYS HA H 3.7 0.0 . 757 94 94 LYS HB2 H 1.22 0.0 . 758 94 94 LYS HB3 H 1.31 0.0 . 759 94 94 LYS HG2 H 0.77 0.0 . 760 94 94 LYS HG3 H 0.99 0.0 . 761 94 94 LYS C C 174.83 0.0 . 762 94 94 LYS CA C 56.07 0.0 . 763 94 94 LYS CB C 30.15 0.0 . 764 94 94 LYS N N 120.23 0.0 . 765 95 95 HIS H H 7.29 0.0 . 766 95 95 HIS HA H 4.49 0.0 . 767 95 95 HIS HB3 H 2.43 0.0 . 768 95 95 HIS C C 174.25 0.0 . 769 95 95 HIS CA C 51.46 0.0 . 770 95 95 HIS CB C 27.8 0.0 . 771 95 95 HIS N N 114.78 0.0 . 772 96 96 ALA H H 7.11 0.0 . 773 96 96 ALA HA H 3.71 0.0 . 774 96 96 ALA HB H 1.34 0.0 . 775 96 96 ALA C C 178.59 0.0 . 776 96 96 ALA CA C 53.83 0.0 . 777 96 96 ALA CB C 16.43 0.0 . 778 96 96 ALA N N 125.16 0.0 . 779 97 97 GLU H H 8.83 0.0 . 780 97 97 GLU HA H 3.94 0.0 . 781 97 97 GLU HB3 H 1.85 0.0 . 782 97 97 GLU HG2 H 2.17 0.0 . 783 97 97 GLU HG3 H 2.29 0.0 . 784 97 97 GLU C C 174.84 0.0 . 785 97 97 GLU CA C 56.01 0.0 . 786 97 97 GLU CB C 26.13 0.0 . 787 97 97 GLU N N 117.4 0.0 . 788 98 98 LYS H H 7.23 0.0 . 789 98 98 LYS HA H 4.07 0.0 . 790 98 98 LYS HB2 H 0.57 0.0 . 791 98 98 LYS HB3 H 0.99 0.0 . 792 98 98 LYS HG2 H 0.96 0.0 . 793 98 98 LYS C C 173.47 0.0 . 794 98 98 LYS CA C 53.04 0.0 . 795 98 98 LYS CB C 29.26 0.0 . 796 98 98 LYS N N 116.27 0.0 . 797 99 99 ASN H H 7.82 0.0 . 798 99 99 ASN HA H 3.65 0.0 . 799 99 99 ASN HB2 H 2.77 0.0 . 800 99 99 ASN HB3 H 2.92 0.0 . 801 99 99 ASN HD21 H 7.4 0.0 . 802 99 99 ASN HD22 H 6.47 0.0 . 803 99 99 ASN C C 170.42 0.0 . 804 99 99 ASN CA C 52.11 0.0 . 805 99 99 ASN CB C 35.08 0.0 . 806 99 99 ASN N N 113.04 0.0 . 807 99 99 ASN ND2 N 112.85 0.0 . 808 100 100 TRP H H 6.31 0.0 . 809 100 100 TRP HA H 4.77 0.0 . 810 100 100 TRP HB2 H 2.79 0.0 . 811 100 100 TRP HB3 H 3.02 0.0 . 812 100 100 TRP C C 171.49 0.0 . 813 100 100 TRP CA C 52.85 0.0 . 814 100 100 TRP CB C 28.18 0.0 . 815 100 100 TRP N N 115.84 0.0 . 816 101 101 PHE H H 8.17 0.0 . 817 101 101 PHE HA H 5.26 0.0 . 818 101 101 PHE HB2 H 2.59 0.0 . 819 101 101 PHE HB3 H 3.3 0.0 . 820 101 101 PHE C C 174.81 0.0 . 821 101 101 PHE CA C 55.18 0.0 . 822 101 101 PHE CB C 39.46 0.0 . 823 101 101 PHE N N 123.64 0.0 . 824 102 102 VAL H H 8.35 0.0 . 825 102 102 VAL HA H 3.91 0.0 . 826 102 102 VAL HB H 1.89 0.0 . 827 102 102 VAL HG1 H 0.55 0.0 . 828 102 102 VAL C C 174.41 0.0 . 829 102 102 VAL CA C 60.63 0.0 . 830 102 102 VAL CB C 30.39 0.0 . 831 102 102 VAL N N 119.55 0.0 . 832 103 103 GLY H H 8.79 0.0 . 833 103 103 GLY HA2 H 2.98 0.0 . 834 103 103 GLY HA3 H 5.15 0.0 . 835 103 103 GLY C C 169.61 0.0 . 836 103 103 GLY CA C 43.84 0.0 . 837 103 103 GLY N N 113.1 0.0 . 838 104 104 LEU H H 8.13 0.0 . 839 104 104 LEU HA H 4.8 0.0 . 840 104 104 LEU HB2 H 1.02 0.0 . 841 104 104 LEU HB3 H 2.1 0.0 . 842 104 104 LEU HD1 H 0.79 0.0 . 843 104 104 LEU HD2 H 0.63 0.0 . 844 104 104 LEU HG H 1.6 0.0 . 845 104 104 LEU C C 173.87 0.0 . 846 104 104 LEU CA C 51.6 0.0 . 847 104 104 LEU CB C 43.72 0.0 . 848 104 104 LEU N N 118.9 0.0 . 849 105 105 LYS H H 8.79 0.0 . 850 105 105 LYS HA H 3.79 0.0 . 851 105 105 LYS HB2 H 1.61 0.0 . 852 105 105 LYS HB3 H 1.96 0.0 . 853 105 105 LYS HD2 H 1.47 0.0 . 854 105 105 LYS HD3 H 1.66 0.0 . 855 105 105 LYS HE2 H 3.07 0.0 . 856 105 105 LYS CA C 53.99 0.0 . 857 105 105 LYS N N 119.61 0.0 . 858 106 106 LYS H H 9.37 0.0 . 859 106 106 LYS HA H 3.55 0.0 . 860 106 106 LYS HB2 H 1.57 0.0 . 861 106 106 LYS HB3 H 1.61 0.0 . 862 106 106 LYS HG2 H 1.55 0.0 . 863 106 106 LYS C C 175.2 0.0 . 864 106 106 LYS CA C 58.39 0.0 . 865 106 106 LYS CB C 28.6 0.0 . 866 106 106 LYS N N 121.59 0.0 . 867 107 107 ASN H H 7.58 0.0 . 868 107 107 ASN HA H 4.48 0.0 . 869 107 107 ASN HB2 H 2.69 0.0 . 870 107 107 ASN HB3 H 3.19 0.0 . 871 107 107 ASN C C 174.72 0.0 . 872 107 107 ASN CA C 49.57 0.0 . 873 107 107 ASN CB C 34.68 0.0 . 874 107 107 ASN N N 112.28 0.0 . 875 108 108 GLY H H 7.44 0.0 . 876 108 108 GLY HA2 H 3.05 0.0 . 877 108 108 GLY HA3 H 3.63 0.0 . 878 108 108 GLY C C 169.72 0.0 . 879 108 108 GLY CA C 42.03 0.0 . 880 108 108 GLY N N 109.23 0.0 . 881 109 109 SER H H 7.52 0.0 . 882 109 109 SER HA H 4.66 0.0 . 883 109 109 SER HB3 H 3.8 0.0 . 884 109 109 SER C C 174.61 0.0 . 885 109 109 SER CA C 55.42 0.0 . 886 109 109 SER CB C 62.37 0.0 . 887 109 109 SER N N 112.78 0.0 . 888 110 110 CYS H H 9.07 0.0 . 889 110 110 CYS HA H 4.63 0.0 . 890 110 110 CYS HB2 H 2.89 0.0 . 891 110 110 CYS HB3 H 3.79 0.0 . 892 110 110 CYS C C 171.7 0.0 . 893 110 110 CYS CA C 57.35 0.0 . 894 110 110 CYS N N 118.84 0.0 . 895 111 111 LYS HA H 4.27 0.0 . 896 111 111 LYS HB2 H 1.2 0.0 . 897 111 111 LYS HB3 H 1.43 0.0 . 898 111 111 LYS HD2 H 1.39 0.0 . 899 111 111 LYS HG2 H 0.98 0.0 . 900 111 111 LYS C C 173.81 0.0 . 901 111 111 LYS CA C 52.01 0.0 . 902 111 111 LYS CB C 31.5 0.0 . 903 112 112 ARG H H 8.39 0.0 . 904 112 112 ARG HA H 4.48 0.0 . 905 112 112 ARG HB2 H 1.42 0.0 . 906 112 112 ARG HB3 H 1.78 0.0 . 907 112 112 ARG HD2 H 3.02 0.0 . 908 112 112 ARG HG2 H 1.65 0.0 . 909 112 112 ARG C C 175.67 0.0 . 910 112 112 ARG CA C 52.78 0.0 . 911 112 112 ARG CB C 29.02 0.0 . 912 112 112 ARG N N 122.33 0.0 . 913 113 113 GLY H H 9.86 0.0 . 914 113 113 GLY HA2 H 3.06 0.0 . 915 113 113 GLY HA3 H 3.66 0.0 . 916 113 113 GLY CA C 45.7 0.0 . 917 113 113 GLY N N 109.23 0.0 . 918 114 114 PRO HA H 4.35 0.0 . 919 114 114 PRO HB2 H 1.9 0.0 . 920 114 114 PRO HB3 H 2.22 0.0 . 921 114 114 PRO HD2 H 4.34 0.0 . 922 114 114 PRO HG2 H 1.51 0.0 . 923 114 114 PRO CA C 60.52 0.0 . 924 114 114 PRO CB C 30.39 0.0 . 925 115 115 ARG H H 8.11 0.0 . 926 115 115 ARG HA H 4.52 0.0 . 927 115 115 ARG HB2 H 1.89 0.0 . 928 115 115 ARG HB3 H 2.91 0.0 . 929 115 115 ARG HD2 H 3.01 0.0 . 930 115 115 ARG HD3 H 3.15 0.0 . 931 115 115 ARG C C 174.32 0.0 . 932 115 115 ARG CA C 50.36 0.0 . 933 115 115 ARG N N 112.76 0.0 . 934 116 116 THR H H 7.7 0.0 . 935 116 116 THR HA H 5.39 0.0 . 936 116 116 THR HB H 4.01 0.0 . 937 116 116 THR HG2 H 1.02 0.0 . 938 116 116 THR C C 172.76 0.0 . 939 116 116 THR CA C 57.7 0.0 . 940 116 116 THR CB C 70.21 0.0 . 941 116 116 THR N N 111.58 0.0 . 942 117 117 HIS H H 7.46 0.0 . 943 117 117 HIS HA H 4.85 0.0 . 944 117 117 HIS HB2 H 3.58 0.0 . 945 117 117 HIS C C 170.19 0.0 . 946 117 117 HIS CA C 52.92 0.0 . 947 117 117 HIS CB C 28.18 0.0 . 948 117 117 HIS N N 112.6 0.0 . 949 118 118 TYR H H 9.06 0.0 . 950 118 118 TYR HA H 3.78 0.0 . 951 118 118 TYR HB2 H 2.61 0.0 . 952 118 118 TYR HB3 H 2.64 0.0 . 953 118 118 TYR C C 174.24 0.0 . 954 118 118 TYR CA C 58.68 0.0 . 955 118 118 TYR CB C 35.71 0.0 . 956 118 118 TYR N N 120.98 0.0 . 957 119 119 GLY H H 7.93 0.0 . 958 119 119 GLY HA2 H 4.32 0.0 . 959 119 119 GLY HA3 H 3.12 0.0 . 960 119 119 GLY C C 172.8 0.0 . 961 119 119 GLY CA C 42.33 0.0 . 962 119 119 GLY N N 116.55 0.0 . 963 120 120 GLN H H 6.97 0.0 . 964 120 120 GLN HA H 4.06 0.0 . 965 120 120 GLN HB2 H 1.73 0.0 . 966 120 120 GLN HB3 H 1.93 0.0 . 967 120 120 GLN C C 174.98 0.0 . 968 120 120 GLN CA C 53.0 0.0 . 969 120 120 GLN CB C 27.28 0.0 . 970 120 120 GLN N N 118.29 0.0 . 971 121 121 LYS H H 8.16 0.0 . 972 121 121 LYS HA H 3.69 0.0 . 973 121 121 LYS HB2 H 1.3 0.0 . 974 121 121 LYS HB3 H 1.38 0.0 . 975 121 121 LYS HD2 H 1.39 0.0 . 976 121 121 LYS HE2 H 2.83 0.0 . 977 121 121 LYS HG2 H 1.65 0.0 . 978 121 121 LYS C C 176.55 0.0 . 979 121 121 LYS CA C 56.39 0.0 . 980 121 121 LYS CB C 29.4 0.0 . 981 121 121 LYS N N 122.71 0.0 . 982 122 122 ALA H H 8.12 0.0 . 983 122 122 ALA HA H 3.74 0.0 . 984 122 122 ALA HB H 0.98 0.0 . 985 122 122 ALA C C 172.53 0.0 . 986 122 122 ALA CA C 52.18 0.0 . 987 122 122 ALA CB C 19.67 0.0 . 988 122 122 ALA N N 116.61 0.0 . 989 123 123 ILE H H 5.74 0.0 . 990 123 123 ILE HA H 5.0 0.0 . 991 123 123 ILE HB H 2.12 0.0 . 992 123 123 ILE HG12 H 0.88 0.0 . 993 123 123 ILE HG13 H 0.99 0.0 . 994 123 123 ILE HG2 H 0.51 0.0 . 995 123 123 ILE C C 172.55 0.0 . 996 123 123 ILE CA C 57.26 0.0 . 997 123 123 ILE CB C 35.24 0.0 . 998 123 123 ILE N N 101.13 0.0 . 999 124 124 LEU H H 6.75 0.0 . 1000 124 124 LEU HA H 4.5 0.0 . 1001 124 124 LEU HB3 H 1.47 0.0 . 1002 124 124 LEU C C 173.51 0.0 . 1003 124 124 LEU CA C 51.39 0.0 . 1004 124 124 LEU CB C 39.46 0.0 . 1005 124 124 LEU N N 121.3 0.0 . 1006 125 125 PHE H H 9.32 0.0 . 1007 125 125 PHE HA H 5.44 0.0 . 1008 125 125 PHE HB2 H 2.68 0.0 . 1009 125 125 PHE HB3 H 3.04 0.0 . 1010 125 125 PHE C C 172.71 0.0 . 1011 125 125 PHE CA C 54.56 0.0 . 1012 125 125 PHE CB C 41.46 0.0 . 1013 125 125 PHE N N 121.5 0.0 . 1014 126 126 LEU H H 9.92 0.0 . 1015 126 126 LEU HA H 5.12 0.0 . 1016 126 126 LEU HB2 H 1.26 0.0 . 1017 126 126 LEU HB3 H 1.83 0.0 . 1018 126 126 LEU HD1 H 0.76 0.0 . 1019 126 126 LEU HD2 H 0.73 0.0 . 1020 126 126 LEU CA C 48.74 0.0 . 1021 126 126 LEU N N 125.7 0.0 . 1022 127 127 PRO HA H 5.45 0.0 . 1023 127 127 PRO HB3 H 1.92 0.0 . 1024 127 127 PRO C C 174.55 0.0 . 1025 127 127 PRO CA C 54.56 0.0 . 1026 127 127 PRO CB C 28.65 0.0 . 1027 128 128 LEU H H 9.68 0.0 . 1028 128 128 LEU HA H 4.89 0.0 . 1029 128 128 LEU HB3 H 1.62 0.0 . 1030 128 128 LEU HD1 H 0.9 0.0 . 1031 128 128 LEU C C 175.96 0.0 . 1032 128 128 LEU CA C 49.51 0.0 . 1033 128 128 LEU N N 129.11 0.0 . 1034 129 129 PRO HA H 4.58 0.0 . 1035 129 129 PRO HB3 H 2.23 0.0 . 1036 129 129 PRO HD2 H 3.62 0.0 . 1037 129 129 PRO HD3 H 3.87 0.0 . 1038 129 129 PRO HG3 H 2.04 0.0 . 1039 129 129 PRO C C 174.4 0.0 . 1040 129 129 PRO CA C 58.87 0.0 . 1041 129 129 PRO CB C 29.8 0.0 . 1042 130 130 VAL H H 8.0 0.0 . 1043 130 130 VAL HA H 3.67 0.0 . 1044 130 130 VAL HB H 1.86 0.0 . 1045 130 130 VAL HG1 H 0.84 0.0 . 1046 130 130 VAL C C 174.12 0.0 . 1047 130 130 VAL CA C 61.41 0.0 . 1048 130 130 VAL CB C 29.28 0.0 . 1049 130 130 VAL N N 118.01 0.0 . 1050 131 131 SER H H 7.84 0.0 . 1051 131 131 SER HA H 4.44 0.0 . 1052 131 131 SER HB2 H 3.64 0.0 . 1053 131 131 SER HB3 H 3.75 0.0 . 1054 131 131 SER C C 171.67 0.0 . 1055 131 131 SER CA C 55.18 0.0 . 1056 131 131 SER CB C 62.0 0.0 . 1057 131 131 SER N N 115.66 0.0 . 1058 132 132 SER H H 8.4 0.0 . 1059 132 132 SER HA H 4.35 0.0 . 1060 132 132 SER HB2 H 3.72 0.0 . 1061 132 132 SER HB3 H 3.76 0.0 . 1062 132 132 SER C C 170.99 0.0 . 1063 132 132 SER CA C 55.18 0.0 . 1064 132 132 SER CB C 61.78 0.0 . 1065 132 132 SER N N 117.8 0.0 . 1066 133 133 ASP H H 7.91 0.0 . 1067 133 133 ASP HA H 4.28 0.0 . 1068 133 133 ASP HB2 H 2.43 0.0 . 1069 133 133 ASP HB3 H 2.54 0.0 . 1070 133 133 ASP CA C 53.6 0.0 . 1071 133 133 ASP N N 127.2 0.0 . stop_ save_