data_11356 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of SH3 domain in Rac/Cdc42 guanine nucleotide exchange factor(GEF) 6 ; _BMRB_accession_number 11356 _BMRB_flat_file_name bmr11356.str _Entry_type original _Submission_date 2010-09-07 _Accession_date 2010-09-07 _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 He F. . . 2 Muto Y. . . 3 Uda H. . . 4 Koshiba S. . . 5 Shirouzu M. . . 6 Terada T. . . 7 Kigawa T. . . 8 Inoue M. . . 9 Yabuki T. . . 10 Aoki M. . . 11 Seki E. . . 12 Matsuda T. . . 13 Hirota H. . . 14 Yoshida M. . . 15 Kobayashi N. . . 16 Tanaka A. . . 17 Osanai T. . . 18 Matsuo Y. . . 19 Ohara O. . . 20 Nagase T. . . 21 Kikuno R. . . 22 Nagayama M. . . 23 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 404 "13C chemical shifts" 299 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of SH3 domain in Rac/Cdc42 guanine nucleotide exchange factor(GEF) 6 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He F. . . 2 Muto Y. . . 3 Uda H. . . 4 Koshiba S. . . 5 Shirouzu M. . . 6 Terada T. . . 7 Kigawa T. . . 8 Inoue M. . . 9 Yabuki T. . . 10 Aoki M. . . 11 Seki E. . . 12 Matsuda T. . . 13 Hirota H. . . 14 Yoshida M. . . 15 Kobayashi N. . . 16 Tanaka A. . . 17 Osanai T. . . 18 Matsuo Y. . . 19 Ohara O. . . 20 Nagase T. . . 21 Kikuno R. . . 22 Nagayama M. . . 23 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rho guanine nucleotide exchange factor 6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 domain' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; GSSGSSGSHQLIVKARFNFK QTNEDELSVCKGDIIYVTRV EEGGWWEGTLNGRTGWFPSN YVREIKSSERSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 HIS 10 GLN 11 LEU 12 ILE 13 VAL 14 LYS 15 ALA 16 ARG 17 PHE 18 ASN 19 PHE 20 LYS 21 GLN 22 THR 23 ASN 24 GLU 25 ASP 26 GLU 27 LEU 28 SER 29 VAL 30 CYS 31 LYS 32 GLY 33 ASP 34 ILE 35 ILE 36 TYR 37 VAL 38 THR 39 ARG 40 VAL 41 GLU 42 GLU 43 GLY 44 GLY 45 TRP 46 TRP 47 GLU 48 GLY 49 THR 50 LEU 51 ASN 52 GLY 53 ARG 54 THR 55 GLY 56 TRP 57 PHE 58 PRO 59 SER 60 ASN 61 TYR 62 VAL 63 ARG 64 GLU 65 ILE 66 LYS 67 SER 68 SER 69 GLU 70 ARG 71 SER 72 GLY 73 PRO 74 SER 75 SER 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-19 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 PDB 1UJY "Solution Structure Of Sh3 Domain In RacCDC42 GUANINE Nucleotide Exchange Factor(Gef) 6" 100.00 76 100.00 100.00 3.76e-46 DBJ BAA04985 "KIAA0006 [Homo sapiens]" 85.53 622 98.46 100.00 3.84e-37 DBJ BAC30599 "unnamed protein product [Mus musculus]" 85.53 622 96.92 98.46 6.70e-37 DBJ BAF84431 "unnamed protein product [Homo sapiens]" 85.53 776 98.46 100.00 1.02e-36 DBJ BAH11929 "unnamed protein product [Homo sapiens]" 85.53 622 98.46 100.00 3.84e-37 DBJ BAH13153 "unnamed protein product [Homo sapiens]" 85.53 304 98.46 100.00 9.00e-40 EMBL CAD97632 "hypothetical protein [Homo sapiens]" 85.53 776 96.92 98.46 2.09e-35 GB AAH39856 "Rac/Cdc42 guanine nucleotide exchange factor (GEF) 6 [Homo sapiens]" 85.53 776 98.46 100.00 1.02e-36 GB AAH43505 "ARHGEF6 protein [Homo sapiens]" 85.53 538 98.46 100.00 4.08e-37 GB AAI56698 "Rac/Cdc42 guanine nucleotide exchange factor (GEF) 6 [synthetic construct]" 85.53 771 96.92 98.46 2.01e-36 GB AAM94903 "Rac/Cdc42 guanine nucleotide exchange factor 6 [Mus musculus]" 85.53 771 96.92 98.46 2.01e-36 GB AAU43636 "rac/cdc42 guanine nucleotide exchange factor 6 [Rattus norvegicus]" 85.53 772 96.92 98.46 3.67e-36 REF NP_001005565 "rho guanine nucleotide exchange factor 6 [Rattus norvegicus]" 85.53 772 96.92 98.46 3.67e-36 REF NP_001179929 "rho guanine nucleotide exchange factor 6 [Bos taurus]" 84.21 776 100.00 100.00 1.06e-36 REF NP_001253502 "rho guanine nucleotide exchange factor 6 [Macaca mulatta]" 85.53 776 98.46 100.00 9.56e-37 REF NP_001293106 "rho guanine nucleotide exchange factor 6 isoform 2 [Homo sapiens]" 85.53 622 98.46 100.00 3.84e-37 REF NP_004831 "rho guanine nucleotide exchange factor 6 isoform 1 [Homo sapiens]" 85.53 776 98.46 100.00 1.02e-36 SP Q15052 "RecName: Full=Rho guanine nucleotide exchange factor 6; AltName: Full=Alpha-Pix; AltName: Full=COOL-2; AltName: Full=PAK-intera" 85.53 776 98.46 100.00 1.02e-36 SP Q5XXR3 "RecName: Full=Rho guanine nucleotide exchange factor 6; AltName: Full=Rac/Cdc42 guanine nucleotide exchange factor 6" 85.53 772 96.92 98.46 3.67e-36 SP Q8K4I3 "RecName: Full=Rho guanine nucleotide exchange factor 6; AltName: Full=Alpha-PIX; AltName: Full=Rac/Cdc42 guanine nucleotide exc" 85.53 771 96.92 98.46 2.01e-36 TPG DAA13327 "TPA: Rac/Cdc42 guanine nucleotide exchange factor (GEF) 6 [Bos taurus]" 84.21 776 100.00 100.00 1.06e-36 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P021021-16 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.8mM SH3 U-15N, {13C;} 20mM phosphate buffer {NA;} 100mM {NaCl;} 0.02% {NaN3;} 90%H2O, 10%D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' 'phosphate buffer NA' 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.811 loop_ _Vendor _Address _Electronic_address 'Kobayashi N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'SH3 domain' _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 7 7 GLY H H 8.371 0.030 1 2 7 7 GLY HA2 H 3.934 0.030 1 3 7 7 GLY HA3 H 3.934 0.030 1 4 7 7 GLY C C 174.111 0.300 1 5 7 7 GLY CA C 45.334 0.300 1 6 7 7 GLY N N 110.736 0.300 1 7 8 8 SER H H 8.139 0.030 1 8 8 8 SER HA H 4.343 0.030 1 9 8 8 SER HB2 H 3.732 0.030 1 10 8 8 SER HB3 H 3.732 0.030 1 11 8 8 SER C C 174.123 0.300 1 12 8 8 SER CA C 58.253 0.300 1 13 8 8 SER CB C 63.744 0.300 1 14 8 8 SER N N 115.658 0.300 1 15 9 9 HIS H H 8.330 0.030 1 16 9 9 HIS HA H 4.642 0.030 1 17 9 9 HIS HB2 H 3.114 0.030 2 18 9 9 HIS HB3 H 2.987 0.030 2 19 9 9 HIS HD2 H 6.996 0.030 1 20 9 9 HIS HE1 H 8.289 0.030 1 21 9 9 HIS C C 173.907 0.300 1 22 9 9 HIS CA C 55.297 0.300 1 23 9 9 HIS CB C 29.481 0.300 1 24 9 9 HIS CD2 C 119.977 0.300 1 25 9 9 HIS CE1 C 136.826 0.300 1 26 9 9 HIS N N 120.199 0.300 1 27 10 10 GLN H H 8.368 0.030 1 28 10 10 GLN HA H 4.219 0.030 1 29 10 10 GLN HB2 H 1.861 0.030 2 30 10 10 GLN HB3 H 1.953 0.030 2 31 10 10 GLN HG2 H 2.258 0.030 1 32 10 10 GLN HG3 H 2.258 0.030 1 33 10 10 GLN C C 174.771 0.300 1 34 10 10 GLN CA C 55.782 0.300 1 35 10 10 GLN CB C 30.058 0.300 1 36 10 10 GLN CG C 33.746 0.300 1 37 10 10 GLN N N 122.212 0.300 1 38 11 11 LEU H H 8.489 0.030 1 39 11 11 LEU HA H 4.396 0.030 1 40 11 11 LEU HB2 H 1.525 0.030 2 41 11 11 LEU HB3 H 1.307 0.030 2 42 11 11 LEU HD1 H 0.570 0.030 1 43 11 11 LEU HD2 H 0.757 0.030 1 44 11 11 LEU HG H 1.300 0.030 1 45 11 11 LEU C C 174.073 0.300 1 46 11 11 LEU CA C 55.274 0.300 1 47 11 11 LEU CB C 43.161 0.300 1 48 11 11 LEU CD1 C 25.518 0.300 2 49 11 11 LEU CD2 C 23.999 0.300 2 50 11 11 LEU CG C 27.377 0.300 1 51 11 11 LEU N N 126.013 0.300 1 52 12 12 ILE H H 8.505 0.030 1 53 12 12 ILE HA H 4.614 0.030 1 54 12 12 ILE HB H 1.481 0.030 1 55 12 12 ILE HD1 H 0.694 0.030 1 56 12 12 ILE HG12 H 0.529 0.030 2 57 12 12 ILE HG13 H 1.399 0.030 2 58 12 12 ILE HG2 H 0.458 0.030 1 59 12 12 ILE C C 175.508 0.300 1 60 12 12 ILE CA C 60.638 0.300 1 61 12 12 ILE CB C 39.713 0.300 1 62 12 12 ILE CD1 C 13.824 0.300 1 63 12 12 ILE CG1 C 27.096 0.300 1 64 12 12 ILE CG2 C 18.505 0.300 1 65 12 12 ILE N N 126.746 0.300 1 66 13 13 VAL H H 8.670 0.030 1 67 13 13 VAL HA H 5.071 0.030 1 68 13 13 VAL HB H 1.839 0.030 1 69 13 13 VAL HG1 H 0.905 0.030 1 70 13 13 VAL HG2 H 0.697 0.030 1 71 13 13 VAL C C 172.624 0.300 1 72 13 13 VAL CA C 57.670 0.300 1 73 13 13 VAL CB C 36.044 0.300 1 74 13 13 VAL CG1 C 21.369 0.300 2 75 13 13 VAL CG2 C 19.739 0.300 2 76 13 13 VAL N N 116.595 0.300 1 77 14 14 LYS H H 8.797 0.030 1 78 14 14 LYS HA H 5.378 0.030 1 79 14 14 LYS HB2 H 1.520 0.030 2 80 14 14 LYS HB3 H 1.289 0.030 2 81 14 14 LYS HD2 H 1.494 0.030 2 82 14 14 LYS HD3 H 1.553 0.030 2 83 14 14 LYS HE2 H 2.817 0.030 1 84 14 14 LYS HE3 H 2.817 0.030 1 85 14 14 LYS HG2 H 1.100 0.030 1 86 14 14 LYS HG3 H 1.100 0.030 1 87 14 14 LYS C C 177.210 0.300 1 88 14 14 LYS CA C 53.241 0.300 1 89 14 14 LYS CB C 36.231 0.300 1 90 14 14 LYS CD C 29.777 0.300 1 91 14 14 LYS CE C 41.811 0.300 1 92 14 14 LYS CG C 24.586 0.300 1 93 14 14 LYS N N 120.090 0.300 1 94 15 15 ALA H H 9.033 0.030 1 95 15 15 ALA HA H 4.386 0.030 1 96 15 15 ALA HB H 1.330 0.030 1 97 15 15 ALA C C 178.430 0.300 1 98 15 15 ALA CA C 52.870 0.300 1 99 15 15 ALA CB C 18.653 0.300 1 100 15 15 ALA N N 128.315 0.300 1 101 16 16 ARG H H 9.379 0.030 1 102 16 16 ARG HA H 4.007 0.030 1 103 16 16 ARG HB2 H 1.111 0.030 2 104 16 16 ARG HB3 H 0.894 0.030 2 105 16 16 ARG HD2 H 2.620 0.030 2 106 16 16 ARG HD3 H 2.773 0.030 2 107 16 16 ARG HG2 H 1.079 0.030 2 108 16 16 ARG HG3 H 0.941 0.030 2 109 16 16 ARG C C 173.679 0.300 1 110 16 16 ARG CA C 56.225 0.300 1 111 16 16 ARG CB C 31.679 0.300 1 112 16 16 ARG CD C 43.618 0.300 1 113 16 16 ARG CG C 26.680 0.300 1 114 16 16 ARG N N 124.117 0.300 1 115 17 17 PHE H H 6.944 0.030 1 116 17 17 PHE HA H 4.748 0.030 1 117 17 17 PHE HB2 H 3.038 0.030 2 118 17 17 PHE HB3 H 2.120 0.030 2 119 17 17 PHE HD1 H 6.694 0.030 1 120 17 17 PHE HD2 H 6.694 0.030 1 121 17 17 PHE HE1 H 6.991 0.030 1 122 17 17 PHE HE2 H 6.991 0.030 1 123 17 17 PHE HZ H 7.016 0.030 1 124 17 17 PHE C C 172.955 0.300 1 125 17 17 PHE CA C 53.821 0.300 1 126 17 17 PHE CB C 43.091 0.300 1 127 17 17 PHE CD1 C 132.118 0.300 1 128 17 17 PHE CD2 C 132.118 0.300 1 129 17 17 PHE CE1 C 130.603 0.300 1 130 17 17 PHE CE2 C 130.603 0.300 1 131 17 17 PHE CZ C 129.398 0.300 1 132 17 17 PHE N N 113.725 0.300 1 133 18 18 ASN H H 8.377 0.030 1 134 18 18 ASN HA H 4.901 0.030 1 135 18 18 ASN HB2 H 2.810 0.030 1 136 18 18 ASN HB3 H 2.810 0.030 1 137 18 18 ASN C C 175.165 0.300 1 138 18 18 ASN CA C 52.859 0.300 1 139 18 18 ASN CB C 39.418 0.300 1 140 18 18 ASN N N 115.438 0.300 1 141 19 19 PHE H H 9.230 0.030 1 142 19 19 PHE HA H 4.919 0.030 1 143 19 19 PHE HB2 H 3.198 0.030 2 144 19 19 PHE HB3 H 2.856 0.030 2 145 19 19 PHE HD1 H 7.420 0.030 1 146 19 19 PHE HD2 H 7.420 0.030 1 147 19 19 PHE HE1 H 7.503 0.030 1 148 19 19 PHE HE2 H 7.503 0.030 1 149 19 19 PHE HZ H 7.601 0.030 1 150 19 19 PHE C C 172.967 0.300 1 151 19 19 PHE CA C 57.758 0.300 1 152 19 19 PHE CB C 42.667 0.300 1 153 19 19 PHE CD1 C 132.582 0.300 1 154 19 19 PHE CD2 C 132.582 0.300 1 155 19 19 PHE CE1 C 131.570 0.300 1 156 19 19 PHE CE2 C 131.570 0.300 1 157 19 19 PHE CZ C 130.733 0.300 1 158 19 19 PHE N N 121.546 0.300 1 159 20 20 LYS H H 7.977 0.030 1 160 20 20 LYS HA H 4.303 0.030 1 161 20 20 LYS HB2 H 1.460 0.030 2 162 20 20 LYS HB3 H 1.524 0.030 2 163 20 20 LYS HD2 H 1.575 0.030 1 164 20 20 LYS HD3 H 1.575 0.030 1 165 20 20 LYS HE2 H 2.873 0.030 1 166 20 20 LYS HE3 H 2.873 0.030 1 167 20 20 LYS HG2 H 1.282 0.030 1 168 20 20 LYS HG3 H 1.282 0.030 1 169 20 20 LYS C C 173.920 0.300 1 170 20 20 LYS CA C 54.160 0.300 1 171 20 20 LYS CB C 33.377 0.300 1 172 20 20 LYS CD C 29.020 0.300 1 173 20 20 LYS CE C 42.037 0.300 1 174 20 20 LYS CG C 24.403 0.300 1 175 20 20 LYS N N 129.460 0.300 1 176 21 21 GLN H H 8.099 0.030 1 177 21 21 GLN HA H 4.070 0.030 1 178 21 21 GLN HB2 H 1.937 0.030 2 179 21 21 GLN HB3 H 2.357 0.030 2 180 21 21 GLN HE21 H 7.446 0.030 2 181 21 21 GLN HE22 H 6.968 0.030 2 182 21 21 GLN HG2 H 2.189 0.030 2 183 21 21 GLN HG3 H 2.041 0.030 2 184 21 21 GLN C C 175.445 0.300 1 185 21 21 GLN CA C 56.049 0.300 1 186 21 21 GLN CB C 29.382 0.300 1 187 21 21 GLN CG C 33.411 0.300 1 188 21 21 GLN N N 122.793 0.300 1 189 21 21 GLN NE2 N 113.169 0.300 1 190 22 22 THR H H 9.346 0.030 1 191 22 22 THR HA H 4.461 0.030 1 192 22 22 THR HB H 4.290 0.030 1 193 22 22 THR HG2 H 1.229 0.030 1 194 22 22 THR C C 174.009 0.300 1 195 22 22 THR CA C 62.182 0.300 1 196 22 22 THR CB C 70.221 0.300 1 197 22 22 THR CG2 C 21.866 0.300 1 198 22 22 THR N N 115.274 0.300 1 199 23 23 ASN H H 7.697 0.030 1 200 23 23 ASN HA H 4.754 0.030 1 201 23 23 ASN HB2 H 2.831 0.030 2 202 23 23 ASN HB3 H 2.685 0.030 2 203 23 23 ASN HD21 H 6.494 0.030 2 204 23 23 ASN HD22 H 7.363 0.030 2 205 23 23 ASN C C 175.864 0.300 1 206 23 23 ASN CA C 52.260 0.300 1 207 23 23 ASN CB C 40.966 0.300 1 208 23 23 ASN N N 117.684 0.300 1 209 23 23 ASN ND2 N 114.984 0.300 1 210 24 24 GLU H H 8.856 0.030 1 211 24 24 GLU HA H 4.040 0.030 1 212 24 24 GLU HB2 H 2.100 0.030 2 213 24 24 GLU HB3 H 2.018 0.030 2 214 24 24 GLU HG2 H 2.310 0.030 1 215 24 24 GLU HG3 H 2.310 0.030 1 216 24 24 GLU C C 176.232 0.300 1 217 24 24 GLU CA C 58.814 0.300 1 218 24 24 GLU CB C 29.620 0.300 1 219 24 24 GLU CG C 36.111 0.300 1 220 24 24 GLU N N 117.829 0.300 1 221 25 25 ASP H H 8.463 0.030 1 222 25 25 ASP HA H 4.865 0.030 1 223 25 25 ASP HB2 H 2.849 0.030 1 224 25 25 ASP HB3 H 2.849 0.030 1 225 25 25 ASP C C 176.080 0.300 1 226 25 25 ASP CA C 54.228 0.300 1 227 25 25 ASP CB C 40.864 0.300 1 228 25 25 ASP N N 116.997 0.300 1 229 26 26 GLU H H 7.439 0.030 1 230 26 26 GLU HA H 5.290 0.030 1 231 26 26 GLU HB2 H 2.507 0.030 2 232 26 26 GLU HB3 H 2.331 0.030 2 233 26 26 GLU HG2 H 2.389 0.030 1 234 26 26 GLU HG3 H 2.389 0.030 1 235 26 26 GLU C C 175.623 0.300 1 236 26 26 GLU CA C 54.826 0.300 1 237 26 26 GLU CB C 32.825 0.300 1 238 26 26 GLU CG C 36.334 0.300 1 239 26 26 GLU N N 119.110 0.300 1 240 27 27 LEU H H 8.933 0.030 1 241 27 27 LEU HA H 4.485 0.030 1 242 27 27 LEU HB2 H 1.630 0.030 2 243 27 27 LEU HB3 H 1.140 0.030 2 244 27 27 LEU HD1 H 0.789 0.030 1 245 27 27 LEU HD2 H 0.708 0.030 1 246 27 27 LEU HG H 1.412 0.030 1 247 27 27 LEU C C 175.711 0.300 1 248 27 27 LEU CA C 53.636 0.300 1 249 27 27 LEU CB C 45.641 0.300 1 250 27 27 LEU CD1 C 24.864 0.300 2 251 27 27 LEU CD2 C 23.847 0.300 2 252 27 27 LEU CG C 26.497 0.300 1 253 27 27 LEU N N 123.008 0.300 1 254 28 28 SER H H 7.827 0.030 1 255 28 28 SER HA H 5.009 0.030 1 256 28 28 SER HB2 H 3.969 0.030 2 257 28 28 SER HB3 H 3.801 0.030 2 258 28 28 SER C C 174.682 0.300 1 259 28 28 SER CA C 59.000 0.300 1 260 28 28 SER CB C 63.879 0.300 1 261 28 28 SER N N 116.351 0.300 1 262 29 29 VAL H H 9.154 0.030 1 263 29 29 VAL HA H 4.506 0.030 1 264 29 29 VAL HB H 1.841 0.030 1 265 29 29 VAL HG1 H 0.687 0.030 1 266 29 29 VAL HG2 H 0.823 0.030 1 267 29 29 VAL C C 174.682 0.300 1 268 29 29 VAL CA C 60.009 0.300 1 269 29 29 VAL CB C 36.042 0.300 1 270 29 29 VAL CG1 C 22.559 0.300 2 271 29 29 VAL CG2 C 20.532 0.300 2 272 29 29 VAL N N 120.159 0.300 1 273 30 30 CYS H H 9.414 0.030 1 274 30 30 CYS HA H 4.981 0.030 1 275 30 30 CYS HB2 H 2.790 0.030 2 276 30 30 CYS HB3 H 2.700 0.030 2 277 30 30 CYS C C 173.692 0.300 1 278 30 30 CYS CA C 56.522 0.300 1 279 30 30 CYS CB C 29.552 0.300 1 280 30 30 CYS N N 125.264 0.300 1 281 31 31 LYS H H 8.243 0.030 1 282 31 31 LYS HA H 3.131 0.030 1 283 31 31 LYS HB2 H 1.550 0.030 2 284 31 31 LYS HB3 H 1.319 0.030 2 285 31 31 LYS HD2 H 1.563 0.030 1 286 31 31 LYS HD3 H 1.563 0.030 1 287 31 31 LYS HG2 H 1.042 0.030 1 288 31 31 LYS HG3 H 1.042 0.030 1 289 31 31 LYS C C 176.766 0.300 1 290 31 31 LYS CA C 58.746 0.300 1 291 31 31 LYS CB C 32.399 0.300 1 292 31 31 LYS CD C 29.610 0.300 1 293 31 31 LYS CE C 41.949 0.300 1 294 31 31 LYS CG C 24.585 0.300 1 295 31 31 LYS N N 122.503 0.300 1 296 32 32 GLY H H 8.682 0.030 1 297 32 32 GLY HA2 H 4.415 0.030 2 298 32 32 GLY HA3 H 3.271 0.030 2 299 32 32 GLY C C 173.831 0.300 1 300 32 32 GLY CA C 44.873 0.300 1 301 32 32 GLY N N 114.915 0.300 1 302 33 33 ASP H H 8.390 0.030 1 303 33 33 ASP HA H 4.408 0.030 1 304 33 33 ASP HB2 H 2.620 0.030 2 305 33 33 ASP HB3 H 2.369 0.030 2 306 33 33 ASP C C 174.962 0.300 1 307 33 33 ASP CA C 55.560 0.300 1 308 33 33 ASP CB C 41.880 0.300 1 309 33 33 ASP N N 122.262 0.300 1 310 34 34 ILE H H 8.130 0.030 1 311 34 34 ILE HA H 4.671 0.030 1 312 34 34 ILE HB H 1.736 0.030 1 313 34 34 ILE HD1 H 0.721 0.030 1 314 34 34 ILE HG12 H 1.104 0.030 1 315 34 34 ILE HG13 H 1.104 0.030 1 316 34 34 ILE HG2 H 0.563 0.030 1 317 34 34 ILE C C 174.886 0.300 1 318 34 34 ILE CA C 59.418 0.300 1 319 34 34 ILE CB C 37.632 0.300 1 320 34 34 ILE CD1 C 11.695 0.300 1 321 34 34 ILE CG1 C 27.315 0.300 1 322 34 34 ILE CG2 C 17.301 0.300 1 323 34 34 ILE N N 121.390 0.300 1 324 35 35 ILE H H 8.773 0.030 1 325 35 35 ILE HA H 4.239 0.030 1 326 35 35 ILE HB H 1.101 0.030 1 327 35 35 ILE HD1 H 0.022 0.030 1 328 35 35 ILE HG12 H 0.451 0.030 2 329 35 35 ILE HG13 H 1.148 0.030 2 330 35 35 ILE HG2 H 0.414 0.030 1 331 35 35 ILE C C 174.365 0.300 1 332 35 35 ILE CA C 60.055 0.300 1 333 35 35 ILE CB C 41.339 0.300 1 334 35 35 ILE CD1 C 14.734 0.300 1 335 35 35 ILE CG1 C 28.446 0.300 1 336 35 35 ILE CG2 C 18.352 0.300 1 337 35 35 ILE N N 127.142 0.300 1 338 36 36 TYR H H 8.046 0.030 1 339 36 36 TYR HA H 4.604 0.030 1 340 36 36 TYR HB2 H 2.909 0.030 2 341 36 36 TYR HB3 H 2.740 0.030 2 342 36 36 TYR HD1 H 6.975 0.030 1 343 36 36 TYR HD2 H 6.975 0.030 1 344 36 36 TYR HE1 H 6.677 0.030 1 345 36 36 TYR HE2 H 6.677 0.030 1 346 36 36 TYR C C 175.419 0.300 1 347 36 36 TYR CA C 56.966 0.300 1 348 36 36 TYR CB C 37.844 0.300 1 349 36 36 TYR CD1 C 132.960 0.300 1 350 36 36 TYR CD2 C 132.960 0.300 1 351 36 36 TYR CE1 C 117.846 0.300 1 352 36 36 TYR CE2 C 117.846 0.300 1 353 36 36 TYR N N 127.327 0.300 1 354 37 37 VAL H H 8.583 0.030 1 355 37 37 VAL HA H 4.141 0.030 1 356 37 37 VAL HB H 2.010 0.030 1 357 37 37 VAL HG1 H 1.152 0.030 1 358 37 37 VAL HG2 H 0.790 0.030 1 359 37 37 VAL C C 176.372 0.300 1 360 37 37 VAL CA C 65.048 0.300 1 361 37 37 VAL CB C 32.086 0.300 1 362 37 37 VAL CG1 C 25.030 0.300 2 363 37 37 VAL CG2 C 22.097 0.300 2 364 37 37 VAL N N 126.234 0.300 1 365 38 38 THR H H 9.562 0.030 1 366 38 38 THR HA H 4.379 0.030 1 367 38 38 THR HB H 4.001 0.030 1 368 38 38 THR HG2 H 1.045 0.030 1 369 38 38 THR C C 176.372 0.300 1 370 38 38 THR CA C 62.494 0.300 1 371 38 38 THR CB C 68.609 0.300 1 372 38 38 THR CG2 C 23.518 0.300 1 373 38 38 THR N N 121.855 0.300 1 374 39 39 ARG H H 7.563 0.030 1 375 39 39 ARG HA H 4.374 0.030 1 376 39 39 ARG HB2 H 1.700 0.030 2 377 39 39 ARG HB3 H 1.398 0.030 2 378 39 39 ARG HD2 H 2.932 0.030 2 379 39 39 ARG HD3 H 3.119 0.030 2 380 39 39 ARG HE H 7.539 0.030 1 381 39 39 ARG HG2 H 1.452 0.030 2 382 39 39 ARG HG3 H 1.503 0.030 2 383 39 39 ARG C C 173.425 0.300 1 384 39 39 ARG CA C 56.760 0.300 1 385 39 39 ARG CB C 33.985 0.300 1 386 39 39 ARG CD C 44.111 0.300 1 387 39 39 ARG CG C 26.842 0.300 1 388 39 39 ARG N N 121.706 0.300 1 389 39 39 ARG NE N 114.708 0.300 1 390 40 40 VAL H H 8.127 0.030 1 391 40 40 VAL HA H 2.784 0.030 1 392 40 40 VAL HB H 1.388 0.030 1 393 40 40 VAL HG1 H 0.167 0.030 1 394 40 40 VAL HG2 H -0.151 0.030 1 395 40 40 VAL C C 175.254 0.300 1 396 40 40 VAL CA C 61.701 0.300 1 397 40 40 VAL CB C 31.878 0.300 1 398 40 40 VAL CG1 C 20.039 0.300 2 399 40 40 VAL CG2 C 20.543 0.300 2 400 40 40 VAL N N 125.163 0.300 1 401 41 41 GLU H H 6.791 0.030 1 402 41 41 GLU HA H 4.845 0.030 1 403 41 41 GLU HB2 H 2.471 0.030 2 404 41 41 GLU HB3 H 2.216 0.030 2 405 41 41 GLU HG2 H 2.583 0.030 2 406 41 41 GLU HG3 H 2.316 0.030 2 407 41 41 GLU C C 176.334 0.300 1 408 41 41 GLU CA C 54.302 0.300 1 409 41 41 GLU CB C 34.006 0.300 1 410 41 41 GLU CG C 35.515 0.300 1 411 41 41 GLU N N 124.360 0.300 1 412 42 42 GLU H H 8.959 0.030 1 413 42 42 GLU HA H 4.440 0.030 1 414 42 42 GLU HB2 H 2.190 0.030 2 415 42 42 GLU HB3 H 1.953 0.030 2 416 42 42 GLU HG2 H 2.344 0.030 1 417 42 42 GLU HG3 H 2.344 0.030 1 418 42 42 GLU C C 177.808 0.300 1 419 42 42 GLU CA C 56.855 0.300 1 420 42 42 GLU CB C 30.197 0.300 1 421 42 42 GLU CG C 36.220 0.300 1 422 42 42 GLU N N 120.645 0.300 1 423 43 43 GLY H H 8.856 0.030 1 424 43 43 GLY HA2 H 4.309 0.030 2 425 43 43 GLY HA3 H 3.934 0.030 2 426 43 43 GLY C C 175.356 0.300 1 427 43 43 GLY CA C 45.683 0.300 1 428 43 43 GLY N N 110.072 0.300 1 429 44 44 GLY H H 8.592 0.030 1 430 44 44 GLY HA2 H 3.380 0.030 2 431 44 44 GLY HA3 H 4.157 0.030 2 432 44 44 GLY C C 174.289 0.300 1 433 44 44 GLY CA C 44.954 0.300 1 434 44 44 GLY N N 108.004 0.300 1 435 45 45 TRP H H 8.100 0.030 1 436 45 45 TRP HA H 4.980 0.030 1 437 45 45 TRP HB2 H 3.179 0.030 2 438 45 45 TRP HB3 H 2.772 0.030 2 439 45 45 TRP HD1 H 6.922 0.030 1 440 45 45 TRP HE1 H 9.967 0.030 1 441 45 45 TRP HE3 H 7.118 0.030 1 442 45 45 TRP HH2 H 7.141 0.030 1 443 45 45 TRP HZ2 H 7.315 0.030 1 444 45 45 TRP HZ3 H 6.672 0.030 1 445 45 45 TRP CA C 56.543 0.300 1 446 45 45 TRP CB C 31.577 0.300 1 447 45 45 TRP CD1 C 126.883 0.300 1 448 45 45 TRP CE3 C 118.956 0.300 1 449 45 45 TRP CH2 C 125.110 0.300 1 450 45 45 TRP CZ2 C 114.476 0.300 1 451 45 45 TRP CZ3 C 120.850 0.300 1 452 45 45 TRP N N 121.517 0.300 1 453 45 45 TRP NE1 N 129.837 0.300 1 454 46 46 TRP H H 8.641 0.030 1 455 46 46 TRP HA H 5.291 0.030 1 456 46 46 TRP HB2 H 3.069 0.030 2 457 46 46 TRP HB3 H 2.173 0.030 2 458 46 46 TRP HD1 H 7.671 0.030 1 459 46 46 TRP HE1 H 9.952 0.030 1 460 46 46 TRP HE3 H 7.349 0.030 1 461 46 46 TRP HH2 H 7.181 0.030 1 462 46 46 TRP HZ2 H 7.450 0.030 1 463 46 46 TRP HZ3 H 6.872 0.030 1 464 46 46 TRP C C 172.320 0.300 1 465 46 46 TRP CA C 52.526 0.300 1 466 46 46 TRP CB C 34.245 0.300 1 467 46 46 TRP CD1 C 122.195 0.300 1 468 46 46 TRP CE3 C 119.799 0.300 1 469 46 46 TRP CH2 C 125.051 0.300 1 470 46 46 TRP CZ2 C 115.193 0.300 1 471 46 46 TRP CZ3 C 121.521 0.300 1 472 46 46 TRP N N 123.662 0.300 1 473 46 46 TRP NE1 N 127.611 0.300 1 474 47 47 GLU H H 8.314 0.030 1 475 47 47 GLU HA H 4.414 0.030 1 476 47 47 GLU HB2 H -0.673 0.030 2 477 47 47 GLU HB3 H 1.272 0.030 2 478 47 47 GLU HG2 H 0.549 0.030 2 479 47 47 GLU HG3 H 1.521 0.030 2 480 47 47 GLU C C 176.575 0.300 1 481 47 47 GLU CA C 53.132 0.300 1 482 47 47 GLU CB C 32.553 0.300 1 483 47 47 GLU CG C 36.684 0.300 1 484 47 47 GLU N N 121.512 0.300 1 485 48 48 GLY H H 9.023 0.030 1 486 48 48 GLY HA2 H 4.977 0.030 2 487 48 48 GLY HA3 H 3.950 0.030 2 488 48 48 GLY C C 170.236 0.300 1 489 48 48 GLY CA C 46.800 0.300 1 490 48 48 GLY N N 113.286 0.300 1 491 49 49 THR H H 9.110 0.030 1 492 49 49 THR HA H 5.509 0.030 1 493 49 49 THR HB H 3.822 0.030 1 494 49 49 THR HG2 H 1.048 0.030 1 495 49 49 THR C C 173.183 0.300 1 496 49 49 THR CA C 60.548 0.300 1 497 49 49 THR CB C 71.057 0.300 1 498 49 49 THR CG2 C 21.430 0.300 1 499 49 49 THR N N 114.251 0.300 1 500 50 50 LEU H H 8.951 0.030 1 501 50 50 LEU HA H 4.718 0.030 1 502 50 50 LEU HB2 H 1.781 0.030 2 503 50 50 LEU HB3 H 1.359 0.030 2 504 50 50 LEU HD1 H 0.921 0.030 1 505 50 50 LEU HD2 H 0.904 0.030 1 506 50 50 LEU HG H 1.444 0.030 1 507 50 50 LEU C C 175.991 0.300 1 508 50 50 LEU CA C 54.302 0.300 1 509 50 50 LEU CB C 46.603 0.300 1 510 50 50 LEU CD1 C 26.744 0.300 2 511 50 50 LEU CD2 C 23.695 0.300 2 512 50 50 LEU CG C 27.941 0.300 1 513 50 50 LEU N N 127.554 0.300 1 514 51 51 ASN H H 9.745 0.030 1 515 51 51 ASN HA H 4.379 0.030 1 516 51 51 ASN HB2 H 3.025 0.030 2 517 51 51 ASN HB3 H 2.739 0.030 2 518 51 51 ASN HD21 H 7.739 0.030 2 519 51 51 ASN HD22 H 7.130 0.030 2 520 51 51 ASN C C 175.241 0.300 1 521 51 51 ASN CA C 54.220 0.300 1 522 51 51 ASN CB C 37.452 0.300 1 523 51 51 ASN N N 127.123 0.300 1 524 51 51 ASN ND2 N 114.274 0.300 1 525 52 52 GLY H H 8.600 0.030 1 526 52 52 GLY HA2 H 4.114 0.030 2 527 52 52 GLY HA3 H 3.521 0.030 2 528 52 52 GLY C C 173.577 0.300 1 529 52 52 GLY CA C 45.472 0.300 1 530 52 52 GLY N N 103.238 0.300 1 531 53 53 ARG H H 7.846 0.030 1 532 53 53 ARG HA H 4.678 0.030 1 533 53 53 ARG HB2 H 1.797 0.030 1 534 53 53 ARG HB3 H 1.797 0.030 1 535 53 53 ARG HD2 H 3.310 0.030 2 536 53 53 ARG HD3 H 3.243 0.030 2 537 53 53 ARG HG2 H 1.695 0.030 2 538 53 53 ARG HG3 H 1.514 0.030 2 539 53 53 ARG C C 174.187 0.300 1 540 53 53 ARG CA C 54.887 0.300 1 541 53 53 ARG CB C 32.587 0.300 1 542 53 53 ARG CD C 43.412 0.300 1 543 53 53 ARG CG C 28.031 0.300 1 544 53 53 ARG N N 122.002 0.300 1 545 54 54 THR H H 8.581 0.030 1 546 54 54 THR HA H 5.500 0.030 1 547 54 54 THR HB H 3.761 0.030 1 548 54 54 THR HG2 H 0.909 0.030 1 549 54 54 THR C C 174.390 0.300 1 550 54 54 THR CA C 60.876 0.300 1 551 54 54 THR CB C 70.821 0.300 1 552 54 54 THR CG2 C 20.933 0.300 1 553 54 54 THR N N 119.855 0.300 1 554 55 55 GLY H H 9.003 0.030 1 555 55 55 GLY HA2 H 4.336 0.030 2 556 55 55 GLY HA3 H 3.848 0.030 2 557 55 55 GLY C C 171.087 0.300 1 558 55 55 GLY CA C 45.749 0.300 1 559 55 55 GLY N N 113.227 0.300 1 560 56 56 TRP H H 9.009 0.030 1 561 56 56 TRP HA H 5.656 0.030 1 562 56 56 TRP HB2 H 3.281 0.030 2 563 56 56 TRP HB3 H 2.891 0.030 2 564 56 56 TRP HD1 H 7.520 0.030 1 565 56 56 TRP HE1 H 9.973 0.030 1 566 56 56 TRP HE3 H 7.260 0.030 1 567 56 56 TRP HH2 H 6.840 0.030 1 568 56 56 TRP HZ2 H 7.281 0.030 1 569 56 56 TRP HZ3 H 6.882 0.030 1 570 56 56 TRP C C 176.575 0.300 1 571 56 56 TRP CA C 57.127 0.300 1 572 56 56 TRP CB C 31.350 0.300 1 573 56 56 TRP CD1 C 128.426 0.300 1 574 56 56 TRP CE3 C 120.788 0.300 1 575 56 56 TRP CH2 C 123.286 0.300 1 576 56 56 TRP CZ2 C 114.787 0.300 1 577 56 56 TRP CZ3 C 121.006 0.300 1 578 56 56 TRP N N 120.126 0.300 1 579 56 56 TRP NE1 N 130.424 0.300 1 580 57 57 PHE H H 9.473 0.030 1 581 57 57 PHE HA H 5.130 0.030 1 582 57 57 PHE HB2 H 3.087 0.030 2 583 57 57 PHE HB3 H 2.569 0.030 2 584 57 57 PHE HD1 H 6.909 0.030 1 585 57 57 PHE HD2 H 6.909 0.030 1 586 57 57 PHE HE1 H 6.832 0.030 1 587 57 57 PHE HE2 H 6.832 0.030 1 588 57 57 PHE HZ H 7.139 0.030 1 589 57 57 PHE C C 170.770 0.300 1 590 57 57 PHE CA C 54.968 0.300 1 591 57 57 PHE CB C 38.862 0.300 1 592 57 57 PHE CD1 C 133.758 0.300 1 593 57 57 PHE CD2 C 133.758 0.300 1 594 57 57 PHE CE1 C 129.936 0.300 1 595 57 57 PHE CE2 C 129.936 0.300 1 596 57 57 PHE CZ C 128.494 0.300 1 597 57 57 PHE N N 118.265 0.300 1 598 58 58 PRO HA H 4.605 0.030 1 599 58 58 PRO HB2 H 2.335 0.030 2 600 58 58 PRO HB3 H 2.110 0.030 2 601 58 58 PRO HD2 H 3.512 0.030 2 602 58 58 PRO HD3 H 3.453 0.030 2 603 58 58 PRO HG2 H 1.864 0.030 2 604 58 58 PRO HG3 H 1.784 0.030 2 605 58 58 PRO CA C 62.503 0.300 1 606 58 58 PRO CB C 34.693 0.300 1 607 58 58 PRO CD C 50.320 0.300 1 608 58 58 PRO CG C 24.712 0.300 1 609 59 59 SER H H 7.977 0.030 1 610 59 59 SER HA H 2.899 0.030 1 611 59 59 SER HB2 H 2.000 0.030 2 612 59 59 SER HB3 H 1.791 0.030 2 613 59 59 SER CA C 60.276 0.300 1 614 59 59 SER CB C 60.279 0.300 1 615 59 59 SER N N 122.221 0.300 1 616 60 60 ASN H H 8.331 0.030 1 617 60 60 ASN HA H 4.564 0.030 1 618 60 60 ASN HB2 H 2.799 0.030 2 619 60 60 ASN HB3 H 2.599 0.030 2 620 60 60 ASN C C 175.711 0.300 1 621 60 60 ASN CA C 53.573 0.300 1 622 60 60 ASN CB C 36.664 0.300 1 623 60 60 ASN N N 116.381 0.300 1 624 61 61 TYR H H 7.748 0.030 1 625 61 61 TYR HA H 4.633 0.030 1 626 61 61 TYR HB2 H 3.270 0.030 2 627 61 61 TYR HB3 H 3.204 0.030 2 628 61 61 TYR HD1 H 6.760 0.030 1 629 61 61 TYR HD2 H 6.760 0.030 1 630 61 61 TYR HE1 H 6.889 0.030 1 631 61 61 TYR HE2 H 6.889 0.030 1 632 61 61 TYR C C 175.000 0.300 1 633 61 61 TYR CA C 57.380 0.300 1 634 61 61 TYR CB C 37.056 0.300 1 635 61 61 TYR CD1 C 131.370 0.300 1 636 61 61 TYR CD2 C 131.370 0.300 1 637 61 61 TYR CE1 C 118.441 0.300 1 638 61 61 TYR CE2 C 118.441 0.300 1 639 61 61 TYR N N 118.972 0.300 1 640 62 62 VAL H H 7.140 0.030 1 641 62 62 VAL HA H 5.129 0.030 1 642 62 62 VAL HB H 1.758 0.030 1 643 62 62 VAL HG1 H 0.807 0.030 1 644 62 62 VAL HG2 H 0.540 0.030 1 645 62 62 VAL CA C 58.567 0.300 1 646 62 62 VAL CB C 35.669 0.300 1 647 62 62 VAL CG1 C 18.086 0.300 2 648 62 62 VAL CG2 C 20.778 0.300 2 649 62 62 VAL N N 109.564 0.300 1 650 63 63 ARG HA H 4.692 0.030 1 651 63 63 ARG HB2 H 1.698 0.030 2 652 63 63 ARG HB3 H 1.632 0.030 2 653 63 63 ARG HD2 H 3.115 0.030 1 654 63 63 ARG HD3 H 3.115 0.030 1 655 63 63 ARG HG2 H 1.482 0.030 2 656 63 63 ARG HG3 H 1.513 0.030 2 657 63 63 ARG CA C 54.153 0.300 1 658 63 63 ARG CB C 33.828 0.300 1 659 63 63 ARG CD C 43.447 0.300 1 660 63 63 ARG CG C 26.469 0.300 1 661 64 64 GLU H H 9.031 0.030 1 662 64 64 GLU HA H 4.369 0.030 1 663 64 64 GLU HB2 H 1.953 0.030 1 664 64 64 GLU HB3 H 1.953 0.030 1 665 64 64 GLU HG2 H 2.228 0.030 2 666 64 64 GLU HG3 H 2.405 0.030 2 667 64 64 GLU C C 176.131 0.300 1 668 64 64 GLU CA C 57.705 0.300 1 669 64 64 GLU CB C 30.169 0.300 1 670 64 64 GLU CG C 36.357 0.300 1 671 64 64 GLU N N 124.794 0.300 1 672 65 65 ILE H H 8.357 0.030 1 673 65 65 ILE HA H 4.239 0.030 1 674 65 65 ILE HB H 1.721 0.030 1 675 65 65 ILE HD1 H 0.697 0.030 1 676 65 65 ILE HG12 H 1.299 0.030 2 677 65 65 ILE HG13 H 0.924 0.030 2 678 65 65 ILE HG2 H 0.782 0.030 1 679 65 65 ILE C C 175.445 0.300 1 680 65 65 ILE CA C 60.739 0.300 1 681 65 65 ILE CB C 39.162 0.300 1 682 65 65 ILE CD1 C 13.810 0.300 1 683 65 65 ILE CG1 C 26.915 0.300 1 684 65 65 ILE CG2 C 17.888 0.300 1 685 65 65 ILE N N 123.500 0.300 1 686 66 66 LYS H H 8.511 0.030 1 687 66 66 LYS HA H 4.410 0.030 1 688 66 66 LYS HB2 H 1.850 0.030 2 689 66 66 LYS HB3 H 1.673 0.030 2 690 66 66 LYS HD2 H 1.606 0.030 1 691 66 66 LYS HD3 H 1.606 0.030 1 692 66 66 LYS HE2 H 3.015 0.030 2 693 66 66 LYS HE3 H 2.868 0.030 2 694 66 66 LYS HG2 H 1.399 0.030 2 695 66 66 LYS HG3 H 1.366 0.030 2 696 66 66 LYS C C 177.134 0.300 1 697 66 66 LYS CA C 55.782 0.300 1 698 66 66 LYS CB C 33.402 0.300 1 699 66 66 LYS CD C 28.993 0.300 1 700 66 66 LYS CE C 41.937 0.300 1 701 66 66 LYS CG C 24.890 0.300 1 702 66 66 LYS N N 124.751 0.300 1 703 67 67 SER H H 8.557 0.030 1 704 67 67 SER HA H 4.293 0.030 1 705 67 67 SER HB2 H 3.878 0.030 2 706 67 67 SER HB3 H 3.815 0.030 2 707 67 67 SER C C 175.165 0.300 1 708 67 67 SER CA C 59.270 0.300 1 709 67 67 SER CB C 63.431 0.300 1 710 67 67 SER N N 117.617 0.300 1 711 68 68 SER H H 8.265 0.030 1 712 68 68 SER HA H 4.352 0.030 1 713 68 68 SER HB2 H 3.889 0.030 2 714 68 68 SER HB3 H 3.774 0.030 2 715 68 68 SER C C 174.670 0.300 1 716 68 68 SER CA C 58.714 0.300 1 717 68 68 SER CB C 63.431 0.300 1 718 68 68 SER N N 116.599 0.300 1 719 69 69 GLU H H 8.158 0.030 1 720 69 69 GLU HA H 4.250 0.030 1 721 69 69 GLU HB2 H 2.011 0.030 2 722 69 69 GLU HB3 H 1.958 0.030 2 723 69 69 GLU HG2 H 2.187 0.030 1 724 69 69 GLU HG3 H 2.187 0.030 1 725 69 69 GLU C C 176.385 0.300 1 726 69 69 GLU CA C 56.606 0.300 1 727 69 69 GLU CB C 30.192 0.300 1 728 69 69 GLU CG C 36.188 0.300 1 729 69 69 GLU N N 122.248 0.300 1 730 70 70 ARG H H 8.105 0.030 1 731 70 70 ARG HA H 4.297 0.030 1 732 70 70 ARG HB2 H 1.700 0.030 2 733 70 70 ARG HB3 H 1.819 0.030 2 734 70 70 ARG HD2 H 3.111 0.030 1 735 70 70 ARG HD3 H 3.111 0.030 1 736 70 70 ARG HG2 H 1.592 0.030 2 737 70 70 ARG HG3 H 1.542 0.030 2 738 70 70 ARG C C 176.118 0.300 1 739 70 70 ARG CA C 56.152 0.300 1 740 70 70 ARG CB C 30.760 0.300 1 741 70 70 ARG CD C 43.272 0.300 1 742 70 70 ARG CG C 27.076 0.300 1 743 70 70 ARG N N 121.249 0.300 1 744 71 71 SER H H 8.288 0.030 1 745 71 71 SER HA H 4.456 0.030 1 746 71 71 SER HB2 H 3.821 0.030 1 747 71 71 SER HB3 H 3.821 0.030 1 748 71 71 SER C C 174.416 0.300 1 749 71 71 SER CA C 58.260 0.300 1 750 71 71 SER CB C 63.825 0.300 1 751 71 71 SER N N 116.952 0.300 1 752 72 72 GLY H H 8.207 0.030 1 753 72 72 GLY HA2 H 4.066 0.030 1 754 72 72 GLY HA3 H 4.066 0.030 1 755 72 72 GLY C C 171.773 0.300 1 756 72 72 GLY CA C 44.630 0.300 1 757 72 72 GLY N N 110.694 0.300 1 758 73 73 PRO HA H 4.414 0.030 1 759 73 73 PRO HB2 H 2.229 0.030 2 760 73 73 PRO HB3 H 1.910 0.030 2 761 73 73 PRO HD2 H 3.550 0.030 1 762 73 73 PRO HD3 H 3.550 0.030 1 763 73 73 PRO HG2 H 1.944 0.030 1 764 73 73 PRO HG3 H 1.944 0.030 1 765 73 73 PRO CA C 63.243 0.300 1 766 73 73 PRO CB C 32.181 0.300 1 767 73 73 PRO CD C 49.756 0.300 1 768 73 73 PRO CG C 27.104 0.300 1 769 74 74 SER H H 8.501 0.030 1 770 74 74 SER HA H 4.423 0.030 1 771 74 74 SER HB2 H 3.835 0.030 1 772 74 74 SER HB3 H 3.835 0.030 1 773 74 74 SER CA C 62.938 0.300 1 774 74 74 SER CB C 63.461 0.300 1 775 74 74 SER N N 116.361 0.300 1 stop_ save_