data_11399 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of RNA binding domain in PTB-like protein L ; _BMRB_accession_number 11399 _BMRB_flat_file_name bmr11399.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 Tsuda K. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 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" 543 "13C chemical shifts" 413 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'solution structure of RNA binding domain in PTB-like protein L' _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 Tsuda K. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 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 'PTB-like protein L' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA recognition motif' $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 'RNA recognition motif' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GSSGSSGDKMDGAPSRVLHI RKLPGEVTETEVIALGLPFG KVTNILMLKGKNQAFLELAT EEAAITMVNYYSAVTPHLRN QPIYIQYSNHKELKTSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 LYS 10 MET 11 ASP 12 GLY 13 ALA 14 PRO 15 SER 16 ARG 17 VAL 18 LEU 19 HIS 20 ILE 21 ARG 22 LYS 23 LEU 24 PRO 25 GLY 26 GLU 27 VAL 28 THR 29 GLU 30 THR 31 GLU 32 VAL 33 ILE 34 ALA 35 LEU 36 GLY 37 LEU 38 PRO 39 PHE 40 GLY 41 LYS 42 VAL 43 THR 44 ASN 45 ILE 46 LEU 47 MET 48 LEU 49 LYS 50 GLY 51 LYS 52 ASN 53 GLN 54 ALA 55 PHE 56 LEU 57 GLU 58 LEU 59 ALA 60 THR 61 GLU 62 GLU 63 ALA 64 ALA 65 ILE 66 THR 67 MET 68 VAL 69 ASN 70 TYR 71 TYR 72 SER 73 ALA 74 VAL 75 THR 76 PRO 77 HIS 78 LEU 79 ARG 80 ASN 81 GLN 82 PRO 83 ILE 84 TYR 85 ILE 86 GLN 87 TYR 88 SER 89 ASN 90 HIS 91 LYS 92 GLU 93 LEU 94 LYS 95 THR 96 SER 97 GLY 98 PRO 99 SER 100 SER 101 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2CQ1 "Solution Structure Of Rna Binding Domain In Ptb-Like Protein L" 100.00 101 100.00 100.00 2.19e-66 DBJ BAB71742 "PTB-like protein L [Homo sapiens]" 88.12 532 98.88 98.88 2.63e-53 DBJ BAB71743 "PTB-like protein S [Homo sapiens]" 87.13 356 100.00 100.00 3.24e-55 DBJ BAD92503 "polypyrimidine tract binding protein 2 variant [Homo sapiens]" 87.13 177 100.00 100.00 1.59e-57 DBJ BAE20599 "unnamed protein product [Mus musculus]" 87.13 241 100.00 100.00 2.28e-56 DBJ BAE20681 "unnamed protein product [Mus musculus]" 87.13 241 100.00 100.00 2.28e-56 EMBL CAB54073 "PTB-like protein [Rattus rattus]" 88.12 532 98.88 98.88 2.83e-53 GB AAF14284 "neural polypyrimidine tract binding protein [Homo sapiens]" 88.12 531 98.88 98.88 2.67e-53 GB AAF21807 "RRM-type RNA-binding protein brPTB [Mus musculus]" 88.12 532 98.88 98.88 2.83e-53 GB AAH10255 "Polypyrimidine tract binding protein 2 [Mus musculus]" 88.12 531 97.75 97.75 4.01e-52 GB AAH16582 "Polypyrimidine tract binding protein 2 [Homo sapiens]" 88.12 532 98.88 98.88 2.63e-53 GB AAH82076 "Polypyrimidine tract binding protein 2 [Rattus norvegicus]" 88.12 531 98.88 98.88 2.70e-53 PIR JC7526 "polypyrimidine tract-binding protein-like protein - rat" 88.12 532 98.88 98.88 2.95e-53 REF NP_001005555 "polypyrimidine tract-binding protein 2 [Rattus norvegicus]" 88.12 531 98.88 98.88 2.70e-53 REF NP_001103551 "polypyrimidine tract-binding protein 2 [Bos taurus]" 88.12 255 98.88 98.88 6.22e-56 REF NP_001287914 "polypyrimidine tract-binding protein 2 isoform 1 [Homo sapiens]" 88.12 537 98.88 98.88 3.11e-53 REF NP_001287915 "polypyrimidine tract-binding protein 2 isoform 2 [Homo sapiens]" 88.12 540 98.88 98.88 3.25e-53 REF NP_001287916 "polypyrimidine tract-binding protein 2 isoform 3 [Homo sapiens]" 88.12 548 98.88 98.88 3.68e-53 SP Q66H20 "RecName: Full=Polypyrimidine tract-binding protein 2; AltName: Full=Neural polypyrimidine tract-binding protein; AltName: Full=" 88.12 531 98.88 98.88 2.70e-53 SP Q91Z31 "RecName: Full=Polypyrimidine tract-binding protein 2; AltName: Full=Brain-enriched polypyrimidine tract-binding protein; Short=" 88.12 531 98.88 98.88 2.70e-53 SP Q9UKA9 "RecName: Full=Polypyrimidine tract-binding protein 2; AltName: Full=Neural polypyrimidine tract-binding protein; AltName: Full=" 88.12 531 98.88 98.88 2.67e-53 TPG DAA00060 "TPA_exp: splicing regulator nPTB1 [Homo sapiens]" 88.12 531 98.88 98.88 2.67e-53 TPG DAA00061 "TPA_exp: splicing regulator nPTB2 [Mus musculus]" 88.12 532 98.88 98.88 2.83e-53 TPG DAA31417 "TPA: polypyrimidine tract binding protein 2-like [Bos taurus]" 89.11 496 97.78 97.78 1.67e-53 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 P040921-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.34mM 13C/15N-PROTEIN, 20mM d-Tris-HCl (pH 7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.34 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 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 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.9297 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 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 7.0 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 'RNA recognition motif' _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 8 8 ASP HA H 4.546 0.030 1 2 8 8 ASP HB2 H 2.637 0.030 2 3 8 8 ASP HB3 H 2.580 0.030 2 4 8 8 ASP C C 176.204 0.300 1 5 8 8 ASP CA C 54.382 0.300 1 6 8 8 ASP CB C 41.305 0.300 1 7 9 9 LYS H H 8.232 0.030 1 8 9 9 LYS HA H 4.288 0.030 1 9 9 9 LYS HB2 H 1.821 0.030 2 10 9 9 LYS HB3 H 1.735 0.030 2 11 9 9 LYS HD2 H 1.646 0.030 1 12 9 9 LYS HD3 H 1.646 0.030 1 13 9 9 LYS HE2 H 2.967 0.030 1 14 9 9 LYS HE3 H 2.967 0.030 1 15 9 9 LYS HG2 H 1.409 0.030 2 16 9 9 LYS HG3 H 1.375 0.030 2 17 9 9 LYS C C 176.524 0.300 1 18 9 9 LYS CA C 56.306 0.300 1 19 9 9 LYS CB C 32.831 0.300 1 20 9 9 LYS CD C 28.983 0.300 1 21 9 9 LYS CE C 42.155 0.300 1 22 9 9 LYS CG C 24.603 0.300 1 23 9 9 LYS N N 121.191 0.300 1 24 10 10 MET H H 8.431 0.030 1 25 10 10 MET HA H 4.490 0.030 1 26 10 10 MET HB2 H 2.090 0.030 2 27 10 10 MET HB3 H 1.984 0.030 2 28 10 10 MET HE H 2.047 0.030 1 29 10 10 MET HG2 H 2.570 0.030 2 30 10 10 MET HG3 H 2.481 0.030 2 31 10 10 MET C C 175.991 0.300 1 32 10 10 MET CA C 55.323 0.300 1 33 10 10 MET CB C 32.714 0.300 1 34 10 10 MET CE C 16.994 0.300 1 35 10 10 MET CG C 32.069 0.300 1 36 10 10 MET N N 121.674 0.300 1 37 11 11 ASP H H 8.345 0.030 1 38 11 11 ASP HA H 4.598 0.030 1 39 11 11 ASP HB2 H 2.659 0.030 1 40 11 11 ASP HB3 H 2.659 0.030 1 41 11 11 ASP C C 176.619 0.300 1 42 11 11 ASP CA C 54.548 0.300 1 43 11 11 ASP CB C 41.298 0.300 1 44 11 11 ASP N N 121.917 0.300 1 45 12 12 GLY H H 8.345 0.030 1 46 12 12 GLY HA2 H 3.933 0.030 1 47 12 12 GLY HA3 H 3.933 0.030 1 48 12 12 GLY C C 173.111 0.300 1 49 12 12 GLY CA C 45.247 0.300 1 50 12 12 GLY N N 109.489 0.300 1 51 13 13 ALA H H 7.891 0.030 1 52 13 13 ALA HA H 4.471 0.030 1 53 13 13 ALA HB H 1.252 0.030 1 54 13 13 ALA CA C 50.090 0.300 1 55 13 13 ALA CB C 18.434 0.300 1 56 13 13 ALA N N 124.152 0.300 1 57 14 14 PRO HA H 2.201 0.030 1 58 14 14 PRO HB2 H 1.622 0.030 2 59 14 14 PRO HB3 H 1.450 0.030 2 60 14 14 PRO HD2 H 3.653 0.030 2 61 14 14 PRO HD3 H 3.343 0.030 2 62 14 14 PRO HG2 H 1.853 0.030 2 63 14 14 PRO HG3 H 1.585 0.030 2 64 14 14 PRO CA C 62.426 0.300 1 65 14 14 PRO CB C 32.213 0.300 1 66 14 14 PRO CD C 50.089 0.300 1 67 14 14 PRO CG C 27.392 0.300 1 68 15 15 SER H H 6.600 0.030 1 69 15 15 SER HA H 4.548 0.030 1 70 15 15 SER HB2 H 4.048 0.030 2 71 15 15 SER HB3 H 3.804 0.030 2 72 15 15 SER CA C 55.353 0.300 1 73 15 15 SER CB C 65.327 0.300 1 74 15 15 SER N N 113.214 0.300 1 75 16 16 ARG H H 8.563 0.030 1 76 16 16 ARG HA H 4.274 0.030 1 77 16 16 ARG HB2 H 1.947 0.030 2 78 16 16 ARG HB3 H 1.753 0.030 2 79 16 16 ARG HD2 H 3.151 0.030 1 80 16 16 ARG HD3 H 3.151 0.030 1 81 16 16 ARG HG2 H 1.687 0.030 2 82 16 16 ARG HG3 H 1.469 0.030 2 83 16 16 ARG C C 174.301 0.300 1 84 16 16 ARG CA C 57.411 0.300 1 85 16 16 ARG CB C 30.375 0.300 1 86 16 16 ARG CD C 44.004 0.300 1 87 16 16 ARG CG C 27.537 0.300 1 88 16 16 ARG N N 118.712 0.300 1 89 17 17 VAL H H 8.541 0.030 1 90 17 17 VAL HA H 4.630 0.030 1 91 17 17 VAL HB H 2.046 0.030 1 92 17 17 VAL HG1 H 0.770 0.030 1 93 17 17 VAL HG2 H 0.587 0.030 1 94 17 17 VAL C C 174.893 0.300 1 95 17 17 VAL CA C 61.412 0.300 1 96 17 17 VAL CB C 31.306 0.300 1 97 17 17 VAL CG1 C 22.837 0.300 2 98 17 17 VAL CG2 C 21.645 0.300 2 99 17 17 VAL N N 117.876 0.300 1 100 18 18 LEU H H 9.614 0.030 1 101 18 18 LEU HA H 4.947 0.030 1 102 18 18 LEU HB2 H 1.775 0.030 2 103 18 18 LEU HB3 H 1.273 0.030 2 104 18 18 LEU HD1 H 0.906 0.030 1 105 18 18 LEU HD2 H 0.879 0.030 1 106 18 18 LEU HG H 1.799 0.030 1 107 18 18 LEU C C 175.312 0.300 1 108 18 18 LEU CA C 53.125 0.300 1 109 18 18 LEU CB C 43.276 0.300 1 110 18 18 LEU CD1 C 26.302 0.300 2 111 18 18 LEU CD2 C 25.184 0.300 2 112 18 18 LEU CG C 27.366 0.300 1 113 18 18 LEU N N 127.770 0.300 1 114 19 19 HIS H H 9.485 0.030 1 115 19 19 HIS HA H 5.051 0.030 1 116 19 19 HIS HB2 H 3.138 0.030 2 117 19 19 HIS HB3 H 2.593 0.030 2 118 19 19 HIS HD2 H 6.189 0.030 1 119 19 19 HIS HE1 H 7.628 0.030 1 120 19 19 HIS C C 173.493 0.300 1 121 19 19 HIS CA C 53.351 0.300 1 122 19 19 HIS CB C 34.822 0.300 1 123 19 19 HIS CD2 C 115.185 0.300 1 124 19 19 HIS CE1 C 138.374 0.300 1 125 19 19 HIS N N 124.113 0.300 1 126 20 20 ILE H H 9.321 0.030 1 127 20 20 ILE HA H 4.753 0.030 1 128 20 20 ILE HB H 1.632 0.030 1 129 20 20 ILE HD1 H 0.590 0.030 1 130 20 20 ILE HG12 H 1.324 0.030 2 131 20 20 ILE HG13 H 0.979 0.030 2 132 20 20 ILE HG2 H 0.694 0.030 1 133 20 20 ILE C C 174.625 0.300 1 134 20 20 ILE CA C 59.721 0.300 1 135 20 20 ILE CB C 38.308 0.300 1 136 20 20 ILE CD1 C 13.591 0.300 1 137 20 20 ILE CG1 C 27.521 0.300 1 138 20 20 ILE CG2 C 19.255 0.300 1 139 20 20 ILE N N 128.356 0.300 1 140 21 21 ARG H H 8.877 0.030 1 141 21 21 ARG HA H 4.797 0.030 1 142 21 21 ARG HB2 H 1.796 0.030 2 143 21 21 ARG HB3 H 1.508 0.030 2 144 21 21 ARG HD2 H 2.768 0.030 1 145 21 21 ARG HD3 H 2.768 0.030 1 146 21 21 ARG HG2 H 1.004 0.030 1 147 21 21 ARG HG3 H 1.004 0.030 1 148 21 21 ARG C C 174.117 0.300 1 149 21 21 ARG CA C 54.370 0.300 1 150 21 21 ARG CB C 34.435 0.300 1 151 21 21 ARG CD C 43.445 0.300 1 152 21 21 ARG CG C 27.872 0.300 1 153 21 21 ARG N N 123.935 0.300 1 154 22 22 LYS H H 8.561 0.030 1 155 22 22 LYS HA H 3.762 0.030 1 156 22 22 LYS HB2 H 2.110 0.030 1 157 22 22 LYS HB3 H 2.110 0.030 1 158 22 22 LYS HD2 H 1.579 0.030 1 159 22 22 LYS HD3 H 1.579 0.030 1 160 22 22 LYS HE2 H 2.828 0.030 1 161 22 22 LYS HE3 H 2.828 0.030 1 162 22 22 LYS HG2 H 1.322 0.030 1 163 22 22 LYS HG3 H 1.322 0.030 1 164 22 22 LYS C C 175.327 0.300 1 165 22 22 LYS CA C 56.665 0.300 1 166 22 22 LYS CB C 29.265 0.300 1 167 22 22 LYS CD C 29.079 0.300 1 168 22 22 LYS CE C 41.966 0.300 1 169 22 22 LYS CG C 25.583 0.300 1 170 22 22 LYS N N 114.139 0.300 1 171 23 23 LEU H H 7.746 0.030 1 172 23 23 LEU HA H 4.025 0.030 1 173 23 23 LEU HB2 H 1.126 0.030 1 174 23 23 LEU HB3 H 1.126 0.030 1 175 23 23 LEU HD1 H 0.610 0.030 1 176 23 23 LEU HD2 H 0.498 0.030 1 177 23 23 LEU HG H 1.296 0.030 1 178 23 23 LEU C C 175.718 0.300 1 179 23 23 LEU CA C 53.547 0.300 1 180 23 23 LEU CB C 41.695 0.300 1 181 23 23 LEU CD1 C 25.155 0.300 2 182 23 23 LEU CD2 C 26.164 0.300 2 183 23 23 LEU CG C 26.934 0.300 1 184 23 23 LEU N N 115.449 0.300 1 185 24 24 PRO HA H 4.427 0.030 1 186 24 24 PRO HB2 H 2.291 0.030 2 187 24 24 PRO HB3 H 1.759 0.030 2 188 24 24 PRO HD2 H 3.700 0.030 2 189 24 24 PRO HD3 H 3.149 0.030 2 190 24 24 PRO HG2 H 1.892 0.030 2 191 24 24 PRO HG3 H 1.699 0.030 2 192 24 24 PRO CA C 62.372 0.300 1 193 24 24 PRO CB C 31.556 0.300 1 194 24 24 PRO CD C 50.053 0.300 1 195 24 24 PRO CG C 27.600 0.300 1 196 25 25 GLY H H 8.594 0.030 1 197 25 25 GLY HA2 H 3.818 0.030 2 198 25 25 GLY HA3 H 3.770 0.030 2 199 25 25 GLY CA C 46.788 0.300 1 200 25 25 GLY N N 109.764 0.300 1 201 26 26 GLU H H 8.415 0.030 1 202 26 26 GLU HA H 4.187 0.030 1 203 26 26 GLU HB2 H 2.104 0.030 2 204 26 26 GLU HB3 H 1.940 0.030 2 205 26 26 GLU HG2 H 2.169 0.030 1 206 26 26 GLU HG3 H 2.169 0.030 1 207 26 26 GLU C C 175.698 0.300 1 208 26 26 GLU CA C 56.730 0.300 1 209 26 26 GLU CB C 28.954 0.300 1 210 26 26 GLU CG C 36.565 0.300 1 211 26 26 GLU N N 116.270 0.300 1 212 27 27 VAL H H 7.055 0.030 1 213 27 27 VAL HA H 4.127 0.030 1 214 27 27 VAL HB H 1.959 0.030 1 215 27 27 VAL HG1 H 0.946 0.030 1 216 27 27 VAL HG2 H 0.773 0.030 1 217 27 27 VAL C C 174.324 0.300 1 218 27 27 VAL CA C 62.017 0.300 1 219 27 27 VAL CB C 32.497 0.300 1 220 27 27 VAL CG1 C 22.576 0.300 2 221 27 27 VAL CG2 C 21.748 0.300 2 222 27 27 VAL N N 117.015 0.300 1 223 28 28 THR H H 8.138 0.030 1 224 28 28 THR HA H 4.665 0.030 1 225 28 28 THR HB H 4.626 0.030 1 226 28 28 THR HG2 H 1.269 0.030 1 227 28 28 THR C C 175.688 0.300 1 228 28 28 THR CA C 60.101 0.300 1 229 28 28 THR CB C 72.370 0.300 1 230 28 28 THR CG2 C 21.860 0.300 1 231 28 28 THR N N 114.894 0.300 1 232 29 29 GLU H H 9.208 0.030 1 233 29 29 GLU HA H 3.944 0.030 1 234 29 29 GLU HB2 H 2.132 0.030 2 235 29 29 GLU HB3 H 2.013 0.030 2 236 29 29 GLU HG2 H 2.370 0.030 2 237 29 29 GLU HG3 H 2.300 0.030 2 238 29 29 GLU C C 178.679 0.300 1 239 29 29 GLU CA C 60.613 0.300 1 240 29 29 GLU CB C 29.836 0.300 1 241 29 29 GLU CG C 37.494 0.300 1 242 29 29 GLU N N 120.975 0.300 1 243 30 30 THR H H 7.976 0.030 1 244 30 30 THR HA H 3.811 0.030 1 245 30 30 THR HB H 4.057 0.030 1 246 30 30 THR HG2 H 1.248 0.030 1 247 30 30 THR C C 176.372 0.300 1 248 30 30 THR CA C 66.467 0.300 1 249 30 30 THR CB C 68.934 0.300 1 250 30 30 THR CG2 C 21.936 0.300 1 251 30 30 THR N N 112.184 0.300 1 252 31 31 GLU H H 7.412 0.030 1 253 31 31 GLU HA H 3.972 0.030 1 254 31 31 GLU HB2 H 2.319 0.030 2 255 31 31 GLU HB3 H 1.983 0.030 2 256 31 31 GLU HG2 H 2.271 0.030 2 257 31 31 GLU HG3 H 2.191 0.030 2 258 31 31 GLU C C 177.452 0.300 1 259 31 31 GLU CA C 59.100 0.300 1 260 31 31 GLU CB C 31.196 0.300 1 261 31 31 GLU CG C 38.310 0.300 1 262 31 31 GLU N N 120.276 0.300 1 263 32 32 VAL H H 7.230 0.030 1 264 32 32 VAL HA H 3.531 0.030 1 265 32 32 VAL HB H 2.068 0.030 1 266 32 32 VAL HG1 H 0.788 0.030 1 267 32 32 VAL HG2 H 0.738 0.030 1 268 32 32 VAL C C 177.784 0.300 1 269 32 32 VAL CA C 66.129 0.300 1 270 32 32 VAL CB C 31.310 0.300 1 271 32 32 VAL CG1 C 23.455 0.300 2 272 32 32 VAL CG2 C 22.826 0.300 2 273 32 32 VAL N N 118.157 0.300 1 274 33 33 ILE H H 8.431 0.030 1 275 33 33 ILE HA H 3.520 0.030 1 276 33 33 ILE HB H 1.804 0.030 1 277 33 33 ILE HD1 H 0.838 0.030 1 278 33 33 ILE HG12 H 1.805 0.030 2 279 33 33 ILE HG13 H 0.838 0.030 2 280 33 33 ILE HG2 H 0.942 0.030 1 281 33 33 ILE C C 178.553 0.300 1 282 33 33 ILE CA C 66.137 0.300 1 283 33 33 ILE CB C 38.760 0.300 1 284 33 33 ILE CD1 C 13.824 0.300 1 285 33 33 ILE CG1 C 30.327 0.300 1 286 33 33 ILE CG2 C 16.914 0.300 1 287 33 33 ILE N N 119.589 0.300 1 288 34 34 ALA H H 7.652 0.030 1 289 34 34 ALA HA H 4.001 0.030 1 290 34 34 ALA HB H 1.508 0.030 1 291 34 34 ALA C C 179.604 0.300 1 292 34 34 ALA CA C 54.681 0.300 1 293 34 34 ALA CB C 18.260 0.300 1 294 34 34 ALA N N 118.627 0.300 1 295 35 35 LEU H H 7.508 0.030 1 296 35 35 LEU HA H 4.254 0.030 1 297 35 35 LEU HB2 H 1.992 0.030 2 298 35 35 LEU HB3 H 1.284 0.030 2 299 35 35 LEU HD1 H 0.770 0.030 1 300 35 35 LEU HD2 H 0.721 0.030 1 301 35 35 LEU HG H 1.974 0.030 1 302 35 35 LEU C C 179.733 0.300 1 303 35 35 LEU CA C 56.927 0.300 1 304 35 35 LEU CB C 43.184 0.300 1 305 35 35 LEU CD1 C 22.499 0.300 2 306 35 35 LEU CD2 C 26.262 0.300 2 307 35 35 LEU CG C 26.311 0.300 1 308 35 35 LEU N N 115.382 0.300 1 309 36 36 GLY H H 8.015 0.030 1 310 36 36 GLY HA2 H 5.095 0.030 2 311 36 36 GLY HA3 H 3.371 0.030 2 312 36 36 GLY C C 173.313 0.300 1 313 36 36 GLY CA C 46.103 0.300 1 314 36 36 GLY N N 102.311 0.300 1 315 37 37 LEU H H 7.128 0.030 1 316 37 37 LEU HA H 4.686 0.030 1 317 37 37 LEU HB2 H 1.820 0.030 2 318 37 37 LEU HB3 H 1.474 0.030 2 319 37 37 LEU HD1 H 0.938 0.030 1 320 37 37 LEU HD2 H 0.948 0.030 1 321 37 37 LEU HG H 1.902 0.030 1 322 37 37 LEU C C 175.624 0.300 1 323 37 37 LEU CA C 57.902 0.300 1 324 37 37 LEU CB C 40.262 0.300 1 325 37 37 LEU CD1 C 25.418 0.300 2 326 37 37 LEU CD2 C 22.471 0.300 2 327 37 37 LEU CG C 26.173 0.300 1 328 37 37 LEU N N 119.521 0.300 1 329 38 38 PRO HA H 4.041 0.030 1 330 38 38 PRO HB2 H 1.756 0.030 2 331 38 38 PRO HB3 H 0.128 0.030 2 332 38 38 PRO HD2 H 3.754 0.030 2 333 38 38 PRO HD3 H 3.187 0.030 2 334 38 38 PRO HG2 H 1.690 0.030 2 335 38 38 PRO HG3 H 1.619 0.030 2 336 38 38 PRO C C 176.440 0.300 1 337 38 38 PRO CA C 64.695 0.300 1 338 38 38 PRO CB C 30.732 0.300 1 339 38 38 PRO CD C 51.276 0.300 1 340 38 38 PRO CG C 28.075 0.300 1 341 39 39 PHE H H 7.952 0.030 1 342 39 39 PHE HA H 4.352 0.030 1 343 39 39 PHE HB2 H 3.359 0.030 2 344 39 39 PHE HB3 H 2.836 0.030 2 345 39 39 PHE HD1 H 7.320 0.030 1 346 39 39 PHE HD2 H 7.320 0.030 1 347 39 39 PHE HE1 H 7.107 0.030 1 348 39 39 PHE HE2 H 7.107 0.030 1 349 39 39 PHE HZ H 6.128 0.030 1 350 39 39 PHE C C 175.524 0.300 1 351 39 39 PHE CA C 58.435 0.300 1 352 39 39 PHE CB C 40.022 0.300 1 353 39 39 PHE CD1 C 131.893 0.300 1 354 39 39 PHE CD2 C 131.893 0.300 1 355 39 39 PHE CE1 C 131.190 0.300 1 356 39 39 PHE CE2 C 131.190 0.300 1 357 39 39 PHE CZ C 129.307 0.300 1 358 39 39 PHE N N 113.374 0.300 1 359 40 40 GLY H H 7.848 0.030 1 360 40 40 GLY HA2 H 3.958 0.030 1 361 40 40 GLY HA3 H 3.958 0.030 1 362 40 40 GLY C C 180.797 0.300 1 363 40 40 GLY CA C 45.229 0.300 1 364 40 40 GLY N N 106.516 0.300 1 365 41 41 LYS H H 7.995 0.030 1 366 41 41 LYS HA H 4.182 0.030 1 367 41 41 LYS HB2 H 1.667 0.030 1 368 41 41 LYS HB3 H 1.667 0.030 1 369 41 41 LYS HD2 H 1.615 0.030 1 370 41 41 LYS HD3 H 1.615 0.030 1 371 41 41 LYS HE2 H 2.933 0.030 1 372 41 41 LYS HE3 H 2.933 0.030 1 373 41 41 LYS HG2 H 1.464 0.030 2 374 41 41 LYS HG3 H 1.224 0.030 2 375 41 41 LYS C C 175.946 0.300 1 376 41 41 LYS CA C 56.388 0.300 1 377 41 41 LYS CB C 33.102 0.300 1 378 41 41 LYS CD C 29.131 0.300 1 379 41 41 LYS CE C 42.213 0.300 1 380 41 41 LYS CG C 25.086 0.300 1 381 41 41 LYS N N 117.411 0.300 1 382 42 42 VAL H H 8.025 0.030 1 383 42 42 VAL HA H 4.537 0.030 1 384 42 42 VAL HB H 1.989 0.030 1 385 42 42 VAL HG1 H 1.102 0.030 1 386 42 42 VAL HG2 H 0.988 0.030 1 387 42 42 VAL C C 177.043 0.300 1 388 42 42 VAL CA C 62.077 0.300 1 389 42 42 VAL CB C 32.465 0.300 1 390 42 42 VAL CG1 C 21.266 0.300 2 391 42 42 VAL CG2 C 21.841 0.300 2 392 42 42 VAL N N 126.015 0.300 1 393 43 43 THR H H 8.979 0.030 1 394 43 43 THR HA H 4.258 0.030 1 395 43 43 THR HB H 4.186 0.030 1 396 43 43 THR HG2 H 0.999 0.030 1 397 43 43 THR C C 175.499 0.300 1 398 43 43 THR CA C 62.619 0.300 1 399 43 43 THR CB C 68.241 0.300 1 400 43 43 THR CG2 C 22.994 0.300 1 401 43 43 THR N N 119.810 0.300 1 402 44 44 ASN H H 7.867 0.030 1 403 44 44 ASN HA H 4.862 0.030 1 404 44 44 ASN HB2 H 2.845 0.030 2 405 44 44 ASN HB3 H 2.332 0.030 2 406 44 44 ASN HD21 H 7.926 0.030 2 407 44 44 ASN HD22 H 6.719 0.030 2 408 44 44 ASN C C 172.273 0.300 1 409 44 44 ASN CA C 53.050 0.300 1 410 44 44 ASN CB C 42.670 0.300 1 411 44 44 ASN N N 118.496 0.300 1 412 44 44 ASN ND2 N 112.658 0.300 1 413 45 45 ILE H H 8.524 0.030 1 414 45 45 ILE HA H 5.018 0.030 1 415 45 45 ILE HB H 1.725 0.030 1 416 45 45 ILE HD1 H 0.850 0.030 1 417 45 45 ILE HG12 H 1.612 0.030 2 418 45 45 ILE HG13 H 0.986 0.030 2 419 45 45 ILE C C 171.820 0.300 1 420 45 45 ILE CA C 58.876 0.300 1 421 45 45 ILE CB C 41.211 0.300 1 422 45 45 ILE CD1 C 15.486 0.300 1 423 45 45 ILE CG1 C 28.944 0.300 1 424 45 45 ILE N N 118.094 0.300 1 425 46 46 LEU H H 8.794 0.030 1 426 46 46 LEU HA H 4.696 0.030 1 427 46 46 LEU HB2 H 1.818 0.030 2 428 46 46 LEU HB3 H 1.412 0.030 2 429 46 46 LEU HD1 H 0.822 0.030 1 430 46 46 LEU HD2 H 0.938 0.030 1 431 46 46 LEU HG H 1.429 0.030 1 432 46 46 LEU C C 175.122 0.300 1 433 46 46 LEU CA C 54.162 0.300 1 434 46 46 LEU CB C 45.847 0.300 1 435 46 46 LEU CD1 C 25.589 0.300 2 436 46 46 LEU CD2 C 23.584 0.300 2 437 46 46 LEU CG C 27.585 0.300 1 438 46 46 LEU N N 127.373 0.300 1 439 47 47 MET H H 9.166 0.030 1 440 47 47 MET HA H 4.656 0.030 1 441 47 47 MET HB2 H 2.618 0.030 2 442 47 47 MET HB3 H 2.458 0.030 2 443 47 47 MET HE H 1.825 0.030 1 444 47 47 MET HG2 H 2.041 0.030 1 445 47 47 MET HG3 H 2.041 0.030 1 446 47 47 MET C C 175.499 0.300 1 447 47 47 MET CA C 54.337 0.300 1 448 47 47 MET CB C 32.634 0.300 1 449 47 47 MET CE C 16.957 0.300 1 450 47 47 MET CG C 32.737 0.300 1 451 47 47 MET N N 126.179 0.300 1 452 48 48 LEU H H 8.351 0.030 1 453 48 48 LEU HA H 4.652 0.030 1 454 48 48 LEU HB2 H 1.562 0.030 2 455 48 48 LEU HB3 H 1.371 0.030 2 456 48 48 LEU HD1 H 0.751 0.030 1 457 48 48 LEU HD2 H 0.825 0.030 1 458 48 48 LEU HG H 1.449 0.030 1 459 48 48 LEU C C 176.789 0.300 1 460 48 48 LEU CA C 53.549 0.300 1 461 48 48 LEU CB C 40.646 0.300 1 462 48 48 LEU CD1 C 25.442 0.300 2 463 48 48 LEU CD2 C 23.950 0.300 2 464 48 48 LEU CG C 27.311 0.300 1 465 48 48 LEU N N 126.944 0.300 1 466 49 49 LYS H H 8.325 0.030 1 467 49 49 LYS HA H 4.055 0.030 1 468 49 49 LYS HB2 H 1.811 0.030 1 469 49 49 LYS HB3 H 1.811 0.030 1 470 49 49 LYS HD2 H 1.715 0.030 1 471 49 49 LYS HD3 H 1.715 0.030 1 472 49 49 LYS HE2 H 2.999 0.030 1 473 49 49 LYS HE3 H 2.999 0.030 1 474 49 49 LYS HG2 H 1.516 0.030 2 475 49 49 LYS HG3 H 1.405 0.030 2 476 49 49 LYS C C 178.906 0.300 1 477 49 49 LYS CA C 59.168 0.300 1 478 49 49 LYS CB C 32.101 0.300 1 479 49 49 LYS CD C 29.149 0.300 1 480 49 49 LYS CE C 42.063 0.300 1 481 49 49 LYS CG C 25.145 0.300 1 482 49 49 LYS N N 125.024 0.300 1 483 50 50 GLY HA2 H 4.058 0.030 2 484 50 50 GLY HA3 H 3.862 0.030 2 485 50 50 GLY C C 174.422 0.300 1 486 50 50 GLY CA C 45.836 0.300 1 487 51 51 LYS H H 7.506 0.030 1 488 51 51 LYS HA H 4.612 0.030 1 489 51 51 LYS HB2 H 1.985 0.030 2 490 51 51 LYS HB3 H 1.520 0.030 2 491 51 51 LYS HD2 H 1.596 0.030 1 492 51 51 LYS HD3 H 1.596 0.030 1 493 51 51 LYS HE2 H 2.971 0.030 1 494 51 51 LYS HE3 H 2.971 0.030 1 495 51 51 LYS HG2 H 1.361 0.030 2 496 51 51 LYS HG3 H 1.297 0.030 2 497 51 51 LYS C C 176.074 0.300 1 498 51 51 LYS CA C 54.764 0.300 1 499 51 51 LYS CB C 33.883 0.300 1 500 51 51 LYS CD C 28.945 0.300 1 501 51 51 LYS CE C 42.192 0.300 1 502 51 51 LYS CG C 24.882 0.300 1 503 51 51 LYS N N 116.253 0.300 1 504 52 52 ASN H H 8.440 0.030 1 505 52 52 ASN HA H 4.423 0.030 1 506 52 52 ASN HB2 H 3.281 0.030 2 507 52 52 ASN HB3 H 2.923 0.030 2 508 52 52 ASN HD21 H 7.502 0.030 2 509 52 52 ASN HD22 H 6.808 0.030 2 510 52 52 ASN C C 174.052 0.300 1 511 52 52 ASN CA C 54.518 0.300 1 512 52 52 ASN CB C 36.413 0.300 1 513 52 52 ASN N N 116.844 0.300 1 514 52 52 ASN ND2 N 111.639 0.300 1 515 53 53 GLN H H 7.293 0.030 1 516 53 53 GLN HA H 5.284 0.030 1 517 53 53 GLN HB2 H 2.032 0.030 2 518 53 53 GLN HB3 H 1.674 0.030 2 519 53 53 GLN HG2 H 2.580 0.030 2 520 53 53 GLN HG3 H 2.364 0.030 2 521 53 53 GLN C C 174.192 0.300 1 522 53 53 GLN CA C 53.548 0.300 1 523 53 53 GLN CB C 35.747 0.300 1 524 53 53 GLN CG C 34.052 0.300 1 525 53 53 GLN N N 112.697 0.300 1 526 54 54 ALA H H 8.924 0.030 1 527 54 54 ALA HA H 5.055 0.030 1 528 54 54 ALA HB H 1.269 0.030 1 529 54 54 ALA C C 174.783 0.300 1 530 54 54 ALA CA C 51.146 0.300 1 531 54 54 ALA CB C 24.177 0.300 1 532 54 54 ALA N N 119.745 0.300 1 533 55 55 PHE H H 9.112 0.030 1 534 55 55 PHE HA H 5.759 0.030 1 535 55 55 PHE HB2 H 2.746 0.030 1 536 55 55 PHE HB3 H 2.746 0.030 1 537 55 55 PHE HD1 H 7.008 0.030 1 538 55 55 PHE HD2 H 7.008 0.030 1 539 55 55 PHE HE1 H 6.905 0.030 1 540 55 55 PHE HE2 H 6.905 0.030 1 541 55 55 PHE HZ H 6.895 0.030 1 542 55 55 PHE C C 173.933 0.300 1 543 55 55 PHE CA C 56.004 0.300 1 544 55 55 PHE CB C 42.205 0.300 1 545 55 55 PHE CD1 C 130.667 0.300 1 546 55 55 PHE CD2 C 130.667 0.300 1 547 55 55 PHE CE1 C 130.899 0.300 1 548 55 55 PHE CE2 C 130.899 0.300 1 549 55 55 PHE CZ C 129.170 0.300 1 550 55 55 PHE N N 117.642 0.300 1 551 56 56 LEU H H 9.143 0.030 1 552 56 56 LEU HA H 4.803 0.030 1 553 56 56 LEU HB2 H 1.757 0.030 2 554 56 56 LEU HB3 H 1.071 0.030 2 555 56 56 LEU HD1 H 0.966 0.030 1 556 56 56 LEU HD2 H 0.809 0.030 1 557 56 56 LEU HG H 1.501 0.030 1 558 56 56 LEU C C 172.785 0.300 1 559 56 56 LEU CA C 53.572 0.300 1 560 56 56 LEU CB C 47.446 0.300 1 561 56 56 LEU CD1 C 26.261 0.300 2 562 56 56 LEU CD2 C 26.290 0.300 2 563 56 56 LEU CG C 27.321 0.300 1 564 56 56 LEU N N 124.907 0.300 1 565 57 57 GLU H H 8.781 0.030 1 566 57 57 GLU HA H 5.215 0.030 1 567 57 57 GLU HB2 H 2.151 0.030 2 568 57 57 GLU HB3 H 1.536 0.030 2 569 57 57 GLU HG2 H 2.117 0.030 2 570 57 57 GLU HG3 H 1.884 0.030 2 571 57 57 GLU C C 174.541 0.300 1 572 57 57 GLU CA C 54.748 0.300 1 573 57 57 GLU CB C 34.115 0.300 1 574 57 57 GLU CG C 37.618 0.300 1 575 57 57 GLU N N 128.323 0.300 1 576 58 58 LEU H H 8.804 0.030 1 577 58 58 LEU HA H 5.277 0.030 1 578 58 58 LEU HB2 H 1.930 0.030 2 579 58 58 LEU HB3 H 1.786 0.030 2 580 58 58 LEU HD1 H 0.898 0.030 1 581 58 58 LEU HD2 H 0.858 0.030 1 582 58 58 LEU HG H 1.684 0.030 1 583 58 58 LEU C C 178.759 0.300 1 584 58 58 LEU CA C 53.139 0.300 1 585 58 58 LEU CB C 44.344 0.300 1 586 58 58 LEU CD1 C 25.248 0.300 2 587 58 58 LEU CD2 C 24.622 0.300 2 588 58 58 LEU CG C 29.384 0.300 1 589 58 58 LEU N N 128.074 0.300 1 590 59 59 ALA H H 8.547 0.030 1 591 59 59 ALA HA H 3.993 0.030 1 592 59 59 ALA HB H 1.534 0.030 1 593 59 59 ALA C C 177.757 0.300 1 594 59 59 ALA CA C 55.035 0.300 1 595 59 59 ALA CB C 20.195 0.300 1 596 59 59 ALA N N 118.373 0.300 1 597 60 60 THR H H 7.188 0.030 1 598 60 60 THR HA H 4.716 0.030 1 599 60 60 THR HB H 4.671 0.030 1 600 60 60 THR HG2 H 1.250 0.030 1 601 60 60 THR C C 173.785 0.300 1 602 60 60 THR CA C 58.100 0.300 1 603 60 60 THR CB C 72.617 0.300 1 604 60 60 THR CG2 C 21.905 0.300 1 605 60 60 THR N N 100.267 0.300 1 606 61 61 GLU H H 9.148 0.030 1 607 61 61 GLU HA H 3.740 0.030 1 608 61 61 GLU HB2 H 2.036 0.030 2 609 61 61 GLU HB3 H 1.902 0.030 2 610 61 61 GLU HG2 H 2.143 0.030 2 611 61 61 GLU HG3 H 2.029 0.030 2 612 61 61 GLU C C 177.588 0.300 1 613 61 61 GLU CA C 59.974 0.300 1 614 61 61 GLU CB C 29.966 0.300 1 615 61 61 GLU CG C 37.610 0.300 1 616 61 61 GLU N N 123.134 0.300 1 617 62 62 GLU H H 8.790 0.030 1 618 62 62 GLU HA H 3.946 0.030 1 619 62 62 GLU HB2 H 2.121 0.030 2 620 62 62 GLU HB3 H 1.976 0.030 2 621 62 62 GLU HG2 H 2.385 0.030 2 622 62 62 GLU HG3 H 2.297 0.030 2 623 62 62 GLU C C 179.013 0.300 1 624 62 62 GLU CA C 60.500 0.300 1 625 62 62 GLU CB C 29.073 0.300 1 626 62 62 GLU CG C 36.758 0.300 1 627 62 62 GLU N N 117.523 0.300 1 628 63 63 ALA H H 7.956 0.030 1 629 63 63 ALA HA H 4.172 0.030 1 630 63 63 ALA HB H 1.483 0.030 1 631 63 63 ALA C C 178.544 0.300 1 632 63 63 ALA CA C 55.112 0.300 1 633 63 63 ALA CB C 19.668 0.300 1 634 63 63 ALA N N 122.801 0.300 1 635 64 64 ALA H H 7.168 0.030 1 636 64 64 ALA HA H 3.937 0.030 1 637 64 64 ALA HB H 1.801 0.030 1 638 64 64 ALA C C 178.739 0.300 1 639 64 64 ALA CA C 55.777 0.300 1 640 64 64 ALA CB C 20.032 0.300 1 641 64 64 ALA N N 120.906 0.300 1 642 65 65 ILE H H 8.611 0.030 1 643 65 65 ILE HA H 4.531 0.030 1 644 65 65 ILE HB H 1.796 0.030 1 645 65 65 ILE HD1 H 0.769 0.030 1 646 65 65 ILE HG12 H 1.798 0.030 2 647 65 65 ILE HG13 H 1.209 0.030 2 648 65 65 ILE HG2 H 0.884 0.030 1 649 65 65 ILE C C 179.046 0.300 1 650 65 65 ILE CA C 63.995 0.300 1 651 65 65 ILE CB C 39.307 0.300 1 652 65 65 ILE CD1 C 14.244 0.300 1 653 65 65 ILE CG1 C 28.527 0.300 1 654 65 65 ILE CG2 C 17.102 0.300 1 655 65 65 ILE N N 118.945 0.300 1 656 66 66 THR H H 8.040 0.030 1 657 66 66 THR HA H 3.858 0.030 1 658 66 66 THR HB H 4.440 0.030 1 659 66 66 THR HG2 H 1.441 0.030 1 660 66 66 THR C C 176.535 0.300 1 661 66 66 THR CA C 66.897 0.300 1 662 66 66 THR CB C 68.555 0.300 1 663 66 66 THR CG2 C 22.318 0.300 1 664 66 66 THR N N 115.915 0.300 1 665 67 67 MET H H 7.971 0.030 1 666 67 67 MET HA H 2.263 0.030 1 667 67 67 MET HB2 H 1.202 0.030 2 668 67 67 MET HB3 H 2.121 0.030 2 669 67 67 MET HE H 1.871 0.030 1 670 67 67 MET HG2 H 1.916 0.030 2 671 67 67 MET HG3 H 2.297 0.030 2 672 67 67 MET C C 176.841 0.300 1 673 67 67 MET CA C 59.474 0.300 1 674 67 67 MET CB C 31.896 0.300 1 675 67 67 MET CE C 18.277 0.300 1 676 67 67 MET CG C 33.516 0.300 1 677 67 67 MET N N 123.216 0.300 1 678 68 68 VAL H H 8.559 0.030 1 679 68 68 VAL HA H 3.278 0.030 1 680 68 68 VAL HB H 2.000 0.030 1 681 68 68 VAL HG1 H 0.410 0.030 1 682 68 68 VAL HG2 H 0.493 0.030 1 683 68 68 VAL C C 179.565 0.300 1 684 68 68 VAL CA C 67.477 0.300 1 685 68 68 VAL CB C 30.929 0.300 1 686 68 68 VAL CG1 C 25.791 0.300 2 687 68 68 VAL CG2 C 20.738 0.300 2 688 68 68 VAL N N 120.123 0.300 1 689 69 69 ASN H H 8.722 0.030 1 690 69 69 ASN HA H 4.360 0.030 1 691 69 69 ASN HB2 H 2.944 0.030 2 692 69 69 ASN HB3 H 2.743 0.030 2 693 69 69 ASN HD21 H 7.635 0.030 2 694 69 69 ASN HD22 H 6.920 0.030 2 695 69 69 ASN C C 178.824 0.300 1 696 69 69 ASN CA C 56.174 0.300 1 697 69 69 ASN CB C 37.440 0.300 1 698 69 69 ASN N N 119.316 0.300 1 699 69 69 ASN ND2 N 112.197 0.300 1 700 70 70 TYR H H 8.291 0.030 1 701 70 70 TYR HA H 4.083 0.030 1 702 70 70 TYR HB2 H 2.660 0.030 2 703 70 70 TYR HB3 H 3.011 0.030 2 704 70 70 TYR HD1 H 6.303 0.030 1 705 70 70 TYR HD2 H 6.303 0.030 1 706 70 70 TYR HE1 H 6.652 0.030 1 707 70 70 TYR HE2 H 6.652 0.030 1 708 70 70 TYR C C 178.072 0.300 1 709 70 70 TYR CA C 62.289 0.300 1 710 70 70 TYR CB C 38.673 0.300 1 711 70 70 TYR CD1 C 133.399 0.300 1 712 70 70 TYR CD2 C 133.399 0.300 1 713 70 70 TYR CE1 C 117.944 0.300 1 714 70 70 TYR CE2 C 117.944 0.300 1 715 70 70 TYR N N 124.302 0.300 1 716 71 71 TYR H H 8.035 0.030 1 717 71 71 TYR HA H 5.245 0.030 1 718 71 71 TYR HB2 H 3.366 0.030 2 719 71 71 TYR HB3 H 2.645 0.030 2 720 71 71 TYR HD1 H 7.250 0.030 1 721 71 71 TYR HD2 H 7.250 0.030 1 722 71 71 TYR HE1 H 6.987 0.030 1 723 71 71 TYR HE2 H 6.987 0.030 1 724 71 71 TYR C C 175.686 0.300 1 725 71 71 TYR CA C 59.521 0.300 1 726 71 71 TYR CB C 37.021 0.300 1 727 71 71 TYR CD1 C 133.718 0.300 1 728 71 71 TYR CD2 C 133.718 0.300 1 729 71 71 TYR CE1 C 117.391 0.300 1 730 71 71 TYR CE2 C 117.391 0.300 1 731 71 71 TYR N N 116.113 0.300 1 732 72 72 SER H H 7.644 0.030 1 733 72 72 SER HA H 4.476 0.030 1 734 72 72 SER HB2 H 4.016 0.030 1 735 72 72 SER HB3 H 4.016 0.030 1 736 72 72 SER C C 174.414 0.300 1 737 72 72 SER CA C 60.391 0.300 1 738 72 72 SER CB C 63.277 0.300 1 739 72 72 SER N N 114.382 0.300 1 740 73 73 ALA H H 7.193 0.030 1 741 73 73 ALA HA H 4.472 0.030 1 742 73 73 ALA HB H 1.382 0.030 1 743 73 73 ALA C C 177.065 0.300 1 744 73 73 ALA CA C 52.740 0.300 1 745 73 73 ALA CB C 20.370 0.300 1 746 73 73 ALA N N 123.198 0.300 1 747 74 74 VAL H H 7.624 0.030 1 748 74 74 VAL HA H 4.077 0.030 1 749 74 74 VAL HB H 1.548 0.030 1 750 74 74 VAL HG1 H 0.853 0.030 1 751 74 74 VAL HG2 H 0.534 0.030 1 752 74 74 VAL C C 174.315 0.300 1 753 74 74 VAL CA C 60.876 0.300 1 754 74 74 VAL CB C 33.135 0.300 1 755 74 74 VAL CG1 C 21.106 0.300 2 756 74 74 VAL CG2 C 20.276 0.300 2 757 74 74 VAL N N 120.761 0.300 1 758 75 75 THR H H 8.137 0.030 1 759 75 75 THR HA H 4.506 0.030 1 760 75 75 THR HB H 4.019 0.030 1 761 75 75 THR HG2 H 1.155 0.030 1 762 75 75 THR C C 173.396 0.300 1 763 75 75 THR CA C 61.338 0.300 1 764 75 75 THR CB C 70.273 0.300 1 765 75 75 THR CG2 C 21.320 0.300 1 766 75 75 THR N N 121.224 0.300 1 767 76 76 PRO HA H 4.566 0.030 1 768 76 76 PRO HB2 H 1.241 0.030 2 769 76 76 PRO HB3 H 1.127 0.030 2 770 76 76 PRO HD2 H 4.361 0.030 2 771 76 76 PRO HD3 H 4.014 0.030 2 772 76 76 PRO HG2 H 2.012 0.030 2 773 76 76 PRO HG3 H 1.456 0.030 2 774 76 76 PRO C C 175.344 0.300 1 775 76 76 PRO CA C 62.395 0.300 1 776 76 76 PRO CB C 30.616 0.300 1 777 76 76 PRO CD C 50.698 0.300 1 778 76 76 PRO CG C 25.804 0.300 1 779 77 77 HIS H H 8.106 0.030 1 780 77 77 HIS HA H 5.258 0.030 1 781 77 77 HIS HB2 H 2.719 0.030 2 782 77 77 HIS HB3 H 2.580 0.030 2 783 77 77 HIS HD2 H 6.380 0.030 1 784 77 77 HIS HE1 H 7.602 0.030 1 785 77 77 HIS C C 174.682 0.300 1 786 77 77 HIS CA C 54.798 0.300 1 787 77 77 HIS CB C 34.143 0.300 1 788 77 77 HIS CD2 C 122.919 0.300 1 789 77 77 HIS CE1 C 138.557 0.300 1 790 77 77 HIS N N 116.956 0.300 1 791 78 78 LEU H H 8.515 0.030 1 792 78 78 LEU HA H 4.522 0.030 1 793 78 78 LEU HB2 H 1.331 0.030 2 794 78 78 LEU HB3 H 1.193 0.030 2 795 78 78 LEU HD1 H 0.941 0.030 1 796 78 78 LEU HD2 H 0.769 0.030 1 797 78 78 LEU HG H 1.517 0.030 1 798 78 78 LEU C C 176.032 0.300 1 799 78 78 LEU CA C 54.261 0.300 1 800 78 78 LEU CB C 46.993 0.300 1 801 78 78 LEU CD1 C 24.776 0.300 2 802 78 78 LEU CD2 C 27.143 0.300 2 803 78 78 LEU CG C 27.020 0.300 1 804 78 78 LEU N N 119.034 0.300 1 805 79 79 ARG H H 9.479 0.030 1 806 79 79 ARG HA H 3.866 0.030 1 807 79 79 ARG HB2 H 1.865 0.030 1 808 79 79 ARG HB3 H 1.865 0.030 1 809 79 79 ARG HD2 H 3.192 0.030 2 810 79 79 ARG HD3 H 2.939 0.030 2 811 79 79 ARG HG2 H 1.492 0.030 1 812 79 79 ARG HG3 H 1.492 0.030 1 813 79 79 ARG C C 176.040 0.300 1 814 79 79 ARG CA C 56.827 0.300 1 815 79 79 ARG CB C 27.309 0.300 1 816 79 79 ARG CD C 43.604 0.300 1 817 79 79 ARG CG C 27.833 0.300 1 818 79 79 ARG N N 120.315 0.300 1 819 80 80 ASN H H 9.059 0.030 1 820 80 80 ASN HA H 4.081 0.030 1 821 80 80 ASN HB2 H 3.048 0.030 2 822 80 80 ASN HB3 H 2.952 0.030 2 823 80 80 ASN HD21 H 7.480 0.030 2 824 80 80 ASN HD22 H 6.806 0.030 2 825 80 80 ASN C C 173.932 0.300 1 826 80 80 ASN CA C 54.780 0.300 1 827 80 80 ASN CB C 37.883 0.300 1 828 80 80 ASN N N 109.245 0.300 1 829 80 80 ASN ND2 N 112.888 0.300 1 830 81 81 GLN H H 8.132 0.030 1 831 81 81 GLN HA H 4.968 0.030 1 832 81 81 GLN HB2 H 2.178 0.030 2 833 81 81 GLN HB3 H 2.002 0.030 2 834 81 81 GLN HE21 H 7.449 0.030 2 835 81 81 GLN HE22 H 6.919 0.030 2 836 81 81 GLN HG2 H 2.361 0.030 1 837 81 81 GLN HG3 H 2.361 0.030 1 838 81 81 GLN C C 172.542 0.300 1 839 81 81 GLN CA C 52.492 0.300 1 840 81 81 GLN CB C 30.664 0.300 1 841 81 81 GLN CG C 33.368 0.300 1 842 81 81 GLN N N 120.354 0.300 1 843 81 81 GLN NE2 N 113.011 0.300 1 844 82 82 PRO HA H 4.294 0.030 1 845 82 82 PRO HB2 H 1.796 0.030 2 846 82 82 PRO HB3 H 1.654 0.030 2 847 82 82 PRO HD2 H 3.750 0.030 1 848 82 82 PRO HD3 H 3.750 0.030 1 849 82 82 PRO HG2 H 2.075 0.030 2 850 82 82 PRO HG3 H 1.922 0.030 2 851 82 82 PRO C C 176.258 0.300 1 852 82 82 PRO CA C 62.463 0.300 1 853 82 82 PRO CB C 31.938 0.300 1 854 82 82 PRO CD C 50.695 0.300 1 855 82 82 PRO CG C 27.392 0.300 1 856 83 83 ILE H H 7.462 0.030 1 857 83 83 ILE HA H 4.599 0.030 1 858 83 83 ILE HB H 1.856 0.030 1 859 83 83 ILE HD1 H 0.481 0.030 1 860 83 83 ILE HG12 H 0.808 0.030 2 861 83 83 ILE HG13 H 0.506 0.030 2 862 83 83 ILE HG2 H 0.815 0.030 1 863 83 83 ILE C C 173.617 0.300 1 864 83 83 ILE CA C 58.992 0.300 1 865 83 83 ILE CB C 40.200 0.300 1 866 83 83 ILE CD1 C 14.756 0.300 1 867 83 83 ILE CG1 C 25.804 0.300 1 868 83 83 ILE CG2 C 18.119 0.300 1 869 83 83 ILE N N 115.366 0.300 1 870 84 84 TYR H H 7.640 0.030 1 871 84 84 TYR HA H 4.812 0.030 1 872 84 84 TYR HB2 H 2.699 0.030 2 873 84 84 TYR HB3 H 2.545 0.030 2 874 84 84 TYR HD1 H 6.902 0.030 1 875 84 84 TYR HD2 H 6.902 0.030 1 876 84 84 TYR HE1 H 6.706 0.030 1 877 84 84 TYR HE2 H 6.706 0.030 1 878 84 84 TYR C C 174.073 0.300 1 879 84 84 TYR CA C 56.722 0.300 1 880 84 84 TYR CB C 41.480 0.300 1 881 84 84 TYR CD1 C 132.667 0.300 1 882 84 84 TYR CD2 C 132.667 0.300 1 883 84 84 TYR CE1 C 118.118 0.300 1 884 84 84 TYR CE2 C 118.118 0.300 1 885 84 84 TYR N N 117.657 0.300 1 886 85 85 ILE H H 8.442 0.030 1 887 85 85 ILE HA H 4.533 0.030 1 888 85 85 ILE HB H 1.476 0.030 1 889 85 85 ILE HD1 H 0.354 0.030 1 890 85 85 ILE HG12 H 1.257 0.030 2 891 85 85 ILE HG13 H 0.721 0.030 2 892 85 85 ILE HG2 H 0.605 0.030 1 893 85 85 ILE C C 173.547 0.300 1 894 85 85 ILE CA C 60.877 0.300 1 895 85 85 ILE CB C 40.585 0.300 1 896 85 85 ILE CD1 C 14.497 0.300 1 897 85 85 ILE CG1 C 27.401 0.300 1 898 85 85 ILE CG2 C 17.896 0.300 1 899 85 85 ILE N N 124.268 0.300 1 900 86 86 GLN H H 8.383 0.030 1 901 86 86 GLN HA H 4.534 0.030 1 902 86 86 GLN HB2 H 2.111 0.030 2 903 86 86 GLN HB3 H 2.050 0.030 2 904 86 86 GLN HG2 H 2.331 0.030 2 905 86 86 GLN HG3 H 2.298 0.030 2 906 86 86 GLN C C 174.720 0.300 1 907 86 86 GLN CA C 53.393 0.300 1 908 86 86 GLN CB C 33.599 0.300 1 909 86 86 GLN CG C 33.645 0.300 1 910 86 86 GLN N N 123.584 0.300 1 911 87 87 TYR H H 8.338 0.030 1 912 87 87 TYR HA H 4.690 0.030 1 913 87 87 TYR HB2 H 2.683 0.030 2 914 87 87 TYR HB3 H 3.219 0.030 2 915 87 87 TYR HD1 H 7.215 0.030 1 916 87 87 TYR HD2 H 7.215 0.030 1 917 87 87 TYR HE1 H 6.671 0.030 1 918 87 87 TYR HE2 H 6.671 0.030 1 919 87 87 TYR C C 176.893 0.300 1 920 87 87 TYR CA C 59.560 0.300 1 921 87 87 TYR CB C 38.950 0.300 1 922 87 87 TYR CD1 C 133.442 0.300 1 923 87 87 TYR CD2 C 133.442 0.300 1 924 87 87 TYR CE1 C 118.317 0.300 1 925 87 87 TYR CE2 C 118.317 0.300 1 926 87 87 TYR N N 120.196 0.300 1 927 88 88 SER H H 9.015 0.030 1 928 88 88 SER HA H 4.822 0.030 1 929 88 88 SER HB2 H 3.981 0.030 2 930 88 88 SER HB3 H 3.831 0.030 2 931 88 88 SER C C 173.882 0.300 1 932 88 88 SER CA C 57.127 0.300 1 933 88 88 SER CB C 65.148 0.300 1 934 88 88 SER N N 116.567 0.300 1 935 89 89 ASN H H 8.470 0.030 1 936 89 89 ASN HA H 4.617 0.030 1 937 89 89 ASN HB2 H 2.734 0.030 2 938 89 89 ASN HB3 H 2.612 0.030 2 939 89 89 ASN C C 175.700 0.300 1 940 89 89 ASN CA C 53.820 0.300 1 941 89 89 ASN CB C 38.383 0.300 1 942 89 89 ASN N N 119.580 0.300 1 943 90 90 HIS H H 8.222 0.030 1 944 90 90 HIS HA H 4.461 0.030 1 945 90 90 HIS HB2 H 2.851 0.030 2 946 90 90 HIS HB3 H 2.589 0.030 2 947 90 90 HIS HD2 H 6.251 0.030 1 948 90 90 HIS HE1 H 7.503 0.030 1 949 90 90 HIS C C 175.612 0.300 1 950 90 90 HIS CA C 56.397 0.300 1 951 90 90 HIS CB C 31.069 0.300 1 952 90 90 HIS CD2 C 119.283 0.300 1 953 90 90 HIS CE1 C 138.808 0.300 1 954 90 90 HIS N N 119.477 0.300 1 955 91 91 LYS HA H 4.328 0.030 1 956 91 91 LYS HB2 H 1.877 0.030 2 957 91 91 LYS HB3 H 1.757 0.030 2 958 91 91 LYS HD2 H 1.639 0.030 1 959 91 91 LYS HD3 H 1.639 0.030 1 960 91 91 LYS HE2 H 2.967 0.030 1 961 91 91 LYS HE3 H 2.967 0.030 1 962 91 91 LYS HG2 H 1.480 0.030 2 963 91 91 LYS HG3 H 1.416 0.030 2 964 91 91 LYS C C 176.077 0.300 1 965 91 91 LYS CA C 56.727 0.300 1 966 91 91 LYS CB C 32.937 0.300 1 967 91 91 LYS CD C 28.662 0.300 1 968 91 91 LYS CE C 42.155 0.300 1 969 91 91 LYS CG C 24.941 0.300 1 970 92 92 GLU H H 7.574 0.030 1 971 92 92 GLU HA H 4.235 0.030 1 972 92 92 GLU HB2 H 1.992 0.030 2 973 92 92 GLU HB3 H 1.817 0.030 2 974 92 92 GLU HG2 H 2.013 0.030 1 975 92 92 GLU HG3 H 2.013 0.030 1 976 92 92 GLU C C 174.830 0.300 1 977 92 92 GLU CA C 55.100 0.300 1 978 92 92 GLU CB C 31.729 0.300 1 979 92 92 GLU CG C 35.225 0.300 1 980 92 92 GLU N N 114.358 0.300 1 981 93 93 LEU H H 8.700 0.030 1 982 93 93 LEU HA H 4.198 0.030 1 983 93 93 LEU HB2 H 1.351 0.030 2 984 93 93 LEU HB3 H 1.298 0.030 2 985 93 93 LEU HD1 H 0.556 0.030 1 986 93 93 LEU HD2 H 0.467 0.030 1 987 93 93 LEU HG H 1.324 0.030 1 988 93 93 LEU C C 176.177 0.300 1 989 93 93 LEU CA C 54.243 0.300 1 990 93 93 LEU CB C 42.451 0.300 1 991 93 93 LEU CD1 C 24.763 0.300 2 992 93 93 LEU CD2 C 23.523 0.300 2 993 93 93 LEU CG C 26.784 0.300 1 994 93 93 LEU N N 122.837 0.300 1 995 94 94 LYS H H 8.208 0.030 1 996 94 94 LYS HA H 4.339 0.030 1 997 94 94 LYS HB2 H 1.757 0.030 2 998 94 94 LYS HB3 H 1.645 0.030 2 999 94 94 LYS HD2 H 1.596 0.030 1 1000 94 94 LYS HD3 H 1.596 0.030 1 1001 94 94 LYS HE2 H 2.900 0.030 1 1002 94 94 LYS HE3 H 2.900 0.030 1 1003 94 94 LYS HG2 H 1.294 0.030 1 1004 94 94 LYS HG3 H 1.294 0.030 1 1005 94 94 LYS C C 176.572 0.300 1 1006 94 94 LYS CA C 55.920 0.300 1 1007 94 94 LYS CB C 33.048 0.300 1 1008 94 94 LYS CD C 28.907 0.300 1 1009 94 94 LYS CE C 42.079 0.300 1 1010 94 94 LYS CG C 24.592 0.300 1 1011 94 94 LYS N N 122.965 0.300 1 1012 95 95 THR H H 8.144 0.030 1 1013 95 95 THR HA H 4.328 0.030 1 1014 95 95 THR HB H 4.260 0.030 1 1015 95 95 THR HG2 H 1.124 0.030 1 1016 95 95 THR C C 174.533 0.300 1 1017 95 95 THR CA C 61.716 0.300 1 1018 95 95 THR CB C 69.707 0.300 1 1019 95 95 THR CG2 C 21.602 0.300 1 1020 95 95 THR N N 114.885 0.300 1 1021 96 96 SER H H 8.206 0.030 1 1022 96 96 SER HA H 4.491 0.030 1 1023 96 96 SER HB2 H 3.897 0.030 2 1024 96 96 SER HB3 H 3.840 0.030 2 1025 96 96 SER C C 174.369 0.300 1 1026 96 96 SER CA C 58.465 0.300 1 1027 96 96 SER CB C 64.099 0.300 1 1028 96 96 SER N N 117.340 0.300 1 1029 97 97 GLY H H 8.175 0.030 1 1030 97 97 GLY HA2 H 4.093 0.030 2 1031 97 97 GLY CA C 44.650 0.300 1 1032 97 97 GLY N N 110.493 0.300 1 1033 98 98 PRO HA H 4.443 0.030 1 1034 98 98 PRO HB2 H 2.212 0.030 2 1035 98 98 PRO HB3 H 1.903 0.030 2 1036 98 98 PRO HD2 H 3.567 0.030 1 1037 98 98 PRO HD3 H 3.567 0.030 1 1038 98 98 PRO HG2 H 1.939 0.030 1 1039 98 98 PRO HG3 H 1.939 0.030 1 1040 98 98 PRO CA C 63.258 0.300 1 1041 98 98 PRO CB C 32.123 0.300 1 1042 98 98 PRO CD C 49.743 0.300 1 1043 98 98 PRO CG C 27.092 0.300 1 stop_ save_