data_17702 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The protein complex for DNA replication ; _BMRB_accession_number 17702 _BMRB_flat_file_name bmr17702.str _Entry_type original _Submission_date 2011-06-14 _Accession_date 2011-06-14 _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 LIU Changdong . . 2 WEI Zhun . . 3 ZHU Guang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 639 "13C chemical shifts" 363 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-12-17 original author . stop_ _Original_release_date 2012-12-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The protein complex for DNA replication' _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 LIU Changdong . . 2 WEI Zhun . . 3 WU Rentian . . 4 LIANG Chun . . 5 ZHU Guang . . stop_ _Journal_abbreviation 'Not known' _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 'protein complex for DNA replication' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein_comp1 $protein_comp1 protein_comp2 $protein_comp2 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_protein_comp1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common protein_comp1 _Molecular_mass 13304.011 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; APKASLRLGFSEYSRISNLI VLHLRKVEEEEDESALKRSE LVNWYLKEIESEIDSEEELI NKKRIIEKVIHRLTHYDHVL IELTQAGLKGSTEGSESYEE DPYLVVNPNYLLED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 5 ALA 2 6 PRO 3 7 LYS 4 8 ALA 5 9 SER 6 10 LEU 7 11 ARG 8 12 LEU 9 13 GLY 10 14 PHE 11 15 SER 12 16 GLU 13 17 TYR 14 18 SER 15 19 ARG 16 20 ILE 17 21 SER 18 22 ASN 19 23 LEU 20 24 ILE 21 25 VAL 22 26 LEU 23 27 HIS 24 28 LEU 25 29 ARG 26 30 LYS 27 31 VAL 28 32 GLU 29 33 GLU 30 34 GLU 31 35 GLU 32 36 ASP 33 37 GLU 34 38 SER 35 39 ALA 36 40 LEU 37 41 LYS 38 42 ARG 39 43 SER 40 44 GLU 41 45 LEU 42 46 VAL 43 47 ASN 44 48 TRP 45 49 TYR 46 50 LEU 47 51 LYS 48 52 GLU 49 53 ILE 50 54 GLU 51 55 SER 52 56 GLU 53 57 ILE 54 58 ASP 55 59 SER 56 60 GLU 57 61 GLU 58 62 GLU 59 63 LEU 60 64 ILE 61 65 ASN 62 66 LYS 63 67 LYS 64 68 ARG 65 69 ILE 66 70 ILE 67 71 GLU 68 72 LYS 69 73 VAL 70 74 ILE 71 75 HIS 72 76 ARG 73 77 LEU 74 78 THR 75 79 HIS 76 80 TYR 77 81 ASP 78 82 HIS 79 83 VAL 80 84 LEU 81 85 ILE 82 86 GLU 83 87 LEU 84 88 THR 85 89 GLN 86 90 ALA 87 91 GLY 88 92 LEU 89 93 LYS 90 94 GLY 91 95 SER 92 96 THR 93 97 GLU 94 98 GLY 95 99 SER 96 100 GLU 97 101 SER 98 102 TYR 99 103 GLU 100 104 GLU 101 105 ASP 102 106 PRO 103 107 TYR 104 108 LEU 105 109 VAL 106 110 VAL 107 111 ASN 108 112 PRO 109 113 ASN 110 114 TYR 111 115 LEU 112 116 LEU 113 117 GLU 114 118 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 16396 CBD 100.00 114 100.00 100.00 3.58e-72 BMRB 16796 CBD 100.00 114 100.00 100.00 3.58e-72 PDB 2KLQ "The Solution Structure Of Cbd Of Human Mcm6" 100.00 114 100.00 100.00 3.58e-72 PDB 2LE8 "The Protein Complex For Dna Replication" 100.00 114 100.00 100.00 3.58e-72 DBJ BAA12699 "HsMcm6 [Homo sapiens]" 100.00 821 99.12 99.12 5.81e-67 DBJ BAE01174 "unnamed protein product [Macaca fascicularis]" 100.00 821 99.12 99.12 4.85e-67 DBJ BAG35469 "unnamed protein product [Homo sapiens]" 100.00 821 99.12 99.12 5.81e-67 DBJ BAG61268 "unnamed protein product [Homo sapiens]" 53.51 440 98.36 98.36 7.60e-29 GB AAB48165 "homolog of S. pombe mis5 [Homo sapiens]" 100.00 181 98.25 98.25 1.04e-68 GB AAC50766 "p105MCM [Homo sapiens]" 100.00 821 98.25 98.25 4.47e-66 GB AAH32374 "Minichromosome maintenance complex component 6 [Homo sapiens]" 100.00 821 99.12 99.12 5.81e-67 GB AAI12449 "Minichromosome maintenance complex component 6 [Bos taurus]" 99.12 821 97.35 99.12 4.99e-65 GB AAO26043 "MCM6 minichromosome maintenance deficient 6 (MIS5 homolog, S. pombe) (S. cerevisiae) [Homo sapiens]" 100.00 821 99.12 99.12 5.81e-67 REF NP_001039699 "DNA replication licensing factor MCM6 [Bos taurus]" 99.12 821 97.35 99.12 4.99e-65 REF NP_001247544 "DNA replication licensing factor MCM6 [Macaca mulatta]" 100.00 821 99.12 99.12 4.85e-67 REF NP_001270984 "uncharacterized protein LOC101925761 [Macaca fascicularis]" 100.00 821 99.12 99.12 4.85e-67 REF NP_005906 "DNA replication licensing factor MCM6 [Homo sapiens]" 100.00 821 99.12 99.12 5.81e-67 REF XP_001154732 "PREDICTED: DNA replication licensing factor MCM6 [Pan troglodytes]" 100.00 821 99.12 99.12 5.81e-67 SP Q14566 "RecName: Full=DNA replication licensing factor MCM6; AltName: Full=p105MCM" 100.00 821 99.12 99.12 5.81e-67 SP Q2KIZ8 "RecName: Full=DNA replication licensing factor MCM6" 99.12 821 97.35 99.12 4.99e-65 stop_ save_ save_protein_comp2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common protein_comp2 _Molecular_mass 3361.944 _Mol_thiol_state 'not present' _Details . _Residue_count 29 _Mol_residue_sequence ; SALKGVSQDLLERIRAKEAQ KQLAQMTRW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 380 SER 2 381 ALA 3 382 LEU 4 383 LYS 5 384 GLY 6 385 VAL 7 386 SER 8 387 GLN 9 388 ASP 10 389 LEU 11 390 LEU 12 391 GLU 13 392 ARG 14 393 ILE 15 394 ARG 16 395 ALA 17 396 LYS 18 397 GLU 19 398 ALA 20 399 GLN 21 400 LYS 22 401 GLN 23 402 LEU 24 403 ALA 25 404 GLN 26 405 MET 27 406 THR 28 407 ARG 29 408 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 16796 MBD 96.55 30 100.00 100.00 8.33e-09 PDB 2LE8 "The Protein Complex For Dna Replication" 100.00 29 100.00 100.00 6.45e-10 GB AAH14202 "CDT1 protein, partial [Homo sapiens]" 89.66 317 100.00 100.00 1.30e-06 GB EAW66764 "DNA replication factor, isoform CRA_c [Homo sapiens]" 89.66 386 100.00 100.00 2.00e-06 GB ELK00500 "DNA replication factor Cdt1 [Pteropus alecto]" 89.66 552 100.00 100.00 1.85e-06 REF XP_006926820 "PREDICTED: DNA replication factor Cdt1 [Pteropus alecto]" 89.66 552 100.00 100.00 1.85e-06 REF XP_009249324 "PREDICTED: DNA replication factor Cdt1 [Pongo abelii]" 89.66 465 100.00 100.00 1.36e-06 REF XP_009429704 "PREDICTED: DNA replication factor Cdt1 [Pan troglodytes]" 89.66 522 100.00 100.00 1.75e-06 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $protein_comp1 Human 9606 Eukaryota Metazoa Homo sapiens $protein_comp2 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_name $protein_comp1 'recombinant technology' . Escherichia coli . PET28a $protein_comp2 'recombinant technology' . Escherichia coli . PET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 25 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' glycerol 1 % 'natural abundance' $protein_comp2 0.8 mM '[U-100% 13C; U-100% 15N]' $protein_comp1 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 25 mM '[U-100% 15N]' 'sodium chloride' 300 mM 'natural abundance' glycerol 1 % 'natural abundance' $protein_comp1 0.8 mM '[U-100% 13C; U-100% 15N]' $protein_comp2 1.0 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 25 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' glycerol 1 % 'natural abundance' $protein_comp1 0.8 mM '[U-100% 13C; U-100% 15N]' $protein_comp2 1.0 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 25 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' glycerol 1 % 'natural abundance' $protein_comp2 0.8 mM '[U-100% 13C; U-100% 15N]' $protein_comp1 1.0 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_HADDOCK1.3 _Saveframe_category software _Name HADDOCK1.3 _Version . loop_ _Vendor _Address _Electronic_address 'Alexandre Bonvin' 'Utrecht University' . stop_ loop_ _Task refinement stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_13C/15N_filtered-C13_edited_NOE_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/15N filtered-C13 edited NOE' _Sample_label $sample_3 save_ save_13C/15N_filtered-C13_edited_NOE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/15N filtered-C13 edited NOE' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 3 . M pH 6.5 . pH pressure 1 . atm temperature 310 . K 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein_comp1 _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 5 1 ALA HA H 4.622 0.020 1 2 5 1 ALA H H 8.253 0.020 1 3 5 1 ALA CA C 50.661 0.400 1 4 5 1 ALA N N 126.076 0.400 1 5 6 2 PRO HA H 4.447 0.020 1 6 6 2 PRO HB2 H 2.312 0.020 2 7 6 2 PRO HB3 H 2.312 0.020 2 8 6 2 PRO HG2 H 1.924 0.020 2 9 6 2 PRO HG3 H 1.924 0.020 2 10 6 2 PRO HD2 H 3.814 0.020 2 11 6 2 PRO HD3 H 3.672 0.020 2 12 6 2 PRO CA C 63.227 0.400 1 13 6 2 PRO CB C 32.087 0.400 1 14 6 2 PRO CG C 27.527 0.400 1 15 6 2 PRO CD C 50.569 0.400 1 16 7 3 LYS H H 8.324 0.020 1 17 7 3 LYS HA H 4.270 0.020 1 18 7 3 LYS HB2 H 1.813 0.020 2 19 7 3 LYS HB3 H 1.813 0.020 2 20 7 3 LYS HG2 H 1.484 0.020 2 21 7 3 LYS HG3 H 1.484 0.020 2 22 7 3 LYS CA C 56.677 0.400 1 23 7 3 LYS CB C 33.058 0.400 1 24 7 3 LYS CG C 25.195 0.400 1 25 7 3 LYS N N 120.550 0.400 1 26 8 4 ALA H H 8.237 0.020 1 27 8 4 ALA HA H 4.330 0.020 1 28 8 4 ALA CA C 52.823 0.400 1 29 8 4 ALA N N 123.879 0.400 1 30 9 5 SER H H 8.099 0.020 1 31 9 5 SER HA H 4.419 0.020 1 32 9 5 SER HB2 H 3.869 0.020 2 33 9 5 SER HB3 H 3.869 0.020 2 34 9 5 SER CA C 58.492 0.400 1 35 9 5 SER CB C 63.935 0.400 1 36 9 5 SER N N 113.817 0.400 1 37 10 6 LEU H H 8.114 0.020 1 38 10 6 LEU HA H 4.399 0.020 1 39 10 6 LEU HB2 H 1.618 0.020 2 40 10 6 LEU HB3 H 1.618 0.020 2 41 10 6 LEU CA C 55.195 0.400 1 42 10 6 LEU CB C 42.714 0.400 1 43 10 6 LEU N N 123.133 0.400 1 44 11 7 ARG HB2 H 1.714 0.020 2 45 11 7 ARG HB3 H 1.714 0.020 2 46 11 7 ARG HD2 H 3.192 0.020 2 47 11 7 ARG HD3 H 3.192 0.020 2 48 11 7 ARG CB C 30.731 0.400 1 49 11 7 ARG CD C 43.567 0.400 1 50 12 8 LEU H H 8.141 0.020 1 51 12 8 LEU HA H 4.306 0.020 1 52 12 8 LEU HB2 H 1.597 0.020 2 53 12 8 LEU HB3 H 1.597 0.020 2 54 12 8 LEU CA C 54.873 0.400 1 55 12 8 LEU CB C 43.704 0.400 1 56 12 8 LEU N N 122.998 0.400 1 57 13 9 GLY H H 8.627 0.020 1 58 13 9 GLY HA2 H 4.062 0.020 2 59 13 9 GLY HA3 H 4.267 0.020 2 60 13 9 GLY CA C 44.968 0.400 1 61 13 9 GLY N N 111.089 0.400 1 62 14 10 PHE HZ H 7.322 0.020 1 63 14 10 PHE CZ C 130.015 0.400 1 64 15 11 SER HA H 4.240 0.020 1 65 15 11 SER HB2 H 4.016 0.020 2 66 15 11 SER HB3 H 4.063 0.020 2 67 15 11 SER CA C 61.428 0.400 1 68 15 11 SER CB C 62.737 0.400 1 69 16 12 GLU H H 8.115 0.020 1 70 16 12 GLU HA H 4.340 0.020 1 71 16 12 GLU HB2 H 2.037 0.020 2 72 16 12 GLU HB3 H 2.153 0.020 2 73 16 12 GLU CA C 58.981 0.400 1 74 16 12 GLU CB C 30.172 0.400 1 75 16 12 GLU N N 122.404 0.400 1 76 17 13 TYR H H 8.377 0.020 1 77 17 13 TYR HA H 4.293 0.020 1 78 17 13 TYR HB2 H 2.996 0.020 2 79 17 13 TYR HB3 H 2.907 0.020 2 80 17 13 TYR CA C 61.614 0.400 1 81 17 13 TYR CB C 38.526 0.400 1 82 17 13 TYR N N 118.570 0.400 1 83 18 14 SER H H 8.494 0.020 1 84 18 14 SER N N 115.078 0.400 1 85 19 15 ARG H H 7.886 0.020 1 86 19 15 ARG HA H 4.112 0.020 1 87 19 15 ARG HB2 H 2.037 0.020 2 88 19 15 ARG HB3 H 2.037 0.020 2 89 19 15 ARG CA C 59.757 0.400 1 90 19 15 ARG CB C 30.477 0.400 1 91 19 15 ARG N N 121.567 0.400 1 92 20 16 ILE H H 8.341 0.020 1 93 20 16 ILE HA H 3.723 0.020 1 94 20 16 ILE HB H 2.130 0.020 1 95 20 16 ILE HG2 H 0.890 0.020 1 96 20 16 ILE HD1 H 0.896 0.020 1 97 20 16 ILE CA C 65.645 0.400 1 98 20 16 ILE CB C 32.114 0.400 1 99 20 16 ILE CG2 C 17.632 0.400 1 100 20 16 ILE CD1 C 13.673 0.400 1 101 20 16 ILE N N 118.478 0.400 1 102 21 17 SER H H 8.255 0.020 1 103 21 17 SER N N 113.845 0.400 1 104 22 18 ASN H H 7.857 0.020 1 105 22 18 ASN HA H 4.434 0.020 1 106 22 18 ASN HB2 H 2.818 0.020 2 107 22 18 ASN HB3 H 2.993 0.020 2 108 22 18 ASN CA C 56.923 0.400 1 109 22 18 ASN CB C 38.935 0.400 1 110 22 18 ASN N N 117.652 0.400 1 111 23 19 LEU H H 7.610 0.020 1 112 23 19 LEU HA H 4.288 0.020 1 113 23 19 LEU HB2 H 2.096 0.020 2 114 23 19 LEU HB3 H 2.274 0.020 2 115 23 19 LEU HD1 H 1.145 0.020 2 116 23 19 LEU HD2 H 1.106 0.020 2 117 23 19 LEU CA C 58.577 0.400 1 118 23 19 LEU CB C 42.525 0.400 1 119 23 19 LEU CD1 C 26.061 0.400 1 120 23 19 LEU CD2 C 24.641 0.400 1 121 23 19 LEU N N 118.126 0.400 1 122 24 20 ILE H H 8.258 0.020 1 123 24 20 ILE HA H 3.773 0.020 1 124 24 20 ILE HB H 2.142 0.020 1 125 24 20 ILE HG2 H 0.903 0.020 1 126 24 20 ILE HD1 H 0.766 0.020 1 127 24 20 ILE CA C 65.455 0.400 1 128 24 20 ILE CB C 37.900 0.400 1 129 24 20 ILE CG2 C 18.413 0.400 1 130 24 20 ILE CD1 C 14.221 0.400 1 131 24 20 ILE N N 117.736 0.400 1 132 25 21 VAL H H 8.409 0.020 1 133 25 21 VAL HA H 3.402 0.020 1 134 25 21 VAL HB H 2.167 0.020 1 135 25 21 VAL HG1 H 0.943 0.020 2 136 25 21 VAL HG2 H 0.927 0.020 2 137 25 21 VAL CA C 67.537 0.400 1 138 25 21 VAL CB C 31.726 0.400 1 139 25 21 VAL CG1 C 21.975 0.400 1 140 25 21 VAL CG2 C 24.097 0.400 1 141 25 21 VAL N N 119.556 0.400 1 142 26 22 LEU H H 8.220 0.020 1 143 26 22 LEU HA H 4.032 0.020 1 144 26 22 LEU HB2 H 1.728 0.020 2 145 26 22 LEU HB3 H 1.984 0.020 2 146 26 22 LEU HD1 H 0.973 0.020 2 147 26 22 LEU CA C 58.304 0.400 1 148 26 22 LEU CB C 41.644 0.400 1 149 26 22 LEU CD1 C 24.131 0.400 1 150 26 22 LEU N N 117.511 0.400 1 151 27 23 HIS H H 7.864 0.020 1 152 27 23 HIS HA H 4.199 0.020 1 153 27 23 HIS HB2 H 2.580 0.020 2 154 27 23 HIS HB3 H 2.780 0.020 2 155 27 23 HIS CA C 59.308 0.400 1 156 27 23 HIS CB C 28.652 0.400 1 157 27 23 HIS N N 117.057 0.400 1 158 28 24 LEU H H 8.354 0.020 1 159 28 24 LEU HA H 3.771 0.020 1 160 28 24 LEU HB2 H 1.769 0.020 2 161 28 24 LEU HB3 H 1.769 0.020 2 162 28 24 LEU CA C 57.922 0.400 1 163 28 24 LEU CB C 41.733 0.400 1 164 28 24 LEU N N 117.549 0.400 1 165 29 25 ARG H H 8.385 0.020 1 166 29 25 ARG HA H 4.055 0.020 1 167 29 25 ARG HB2 H 1.721 0.020 2 168 29 25 ARG HB3 H 1.721 0.020 2 169 29 25 ARG HD2 H 3.187 0.020 2 170 29 25 ARG HD3 H 3.187 0.020 2 171 29 25 ARG CA C 59.387 0.400 1 172 29 25 ARG CB C 29.812 0.400 1 173 29 25 ARG CD C 43.630 0.400 1 174 29 25 ARG N N 118.201 0.400 1 175 30 26 LYS H H 7.555 0.020 1 176 30 26 LYS HA H 4.075 0.020 1 177 30 26 LYS HB2 H 1.912 0.020 2 178 30 26 LYS HB3 H 1.912 0.020 2 179 30 26 LYS CA C 59.187 0.400 1 180 30 26 LYS CB C 31.976 0.400 1 181 30 26 LYS N N 120.113 0.400 1 182 31 27 VAL H H 7.879 0.020 1 183 31 27 VAL HA H 3.606 0.020 1 184 31 27 VAL HB H 1.966 0.020 1 185 31 27 VAL HG1 H 0.715 0.020 2 186 31 27 VAL HG2 H 0.549 0.020 2 187 31 27 VAL CA C 65.902 0.400 1 188 31 27 VAL CB C 31.775 0.400 1 189 31 27 VAL CG1 C 22.233 0.400 1 190 31 27 VAL CG2 C 21.990 0.400 1 191 31 27 VAL N N 117.349 0.400 1 192 32 28 GLU H H 7.877 0.020 1 193 32 28 GLU HA H 4.010 0.020 1 194 32 28 GLU HB2 H 2.168 0.020 2 195 32 28 GLU HB3 H 2.168 0.020 2 196 32 28 GLU HG2 H 2.295 0.020 2 197 32 28 GLU HG3 H 2.446 0.020 2 198 32 28 GLU CA C 59.206 0.400 1 199 32 28 GLU CB C 29.933 0.400 1 200 32 28 GLU CG C 36.354 0.400 1 201 32 28 GLU N N 118.505 0.400 1 202 33 29 GLU H H 7.659 0.020 1 203 33 29 GLU HA H 4.188 0.020 1 204 33 29 GLU HB2 H 2.166 0.020 2 205 33 29 GLU HB3 H 2.166 0.020 2 206 33 29 GLU HG2 H 2.476 0.020 2 207 33 29 GLU HG3 H 2.476 0.020 2 208 33 29 GLU CA C 58.100 0.400 1 209 33 29 GLU CB C 30.425 0.400 1 210 33 29 GLU CG C 36.550 0.400 1 211 33 29 GLU N N 116.178 0.400 1 212 34 30 GLU H H 7.901 0.020 1 213 34 30 GLU HA H 4.349 0.020 1 214 34 30 GLU HB2 H 2.155 0.020 2 215 34 30 GLU HB3 H 2.155 0.020 2 216 34 30 GLU CA C 57.185 0.400 1 217 34 30 GLU CB C 30.522 0.400 1 218 34 30 GLU N N 116.782 0.400 1 219 35 31 GLU H H 8.187 0.020 1 220 35 31 GLU HA H 4.354 0.020 1 221 35 31 GLU HB2 H 2.068 0.020 2 222 35 31 GLU HB3 H 2.068 0.020 2 223 35 31 GLU HG2 H 2.287 0.020 2 224 35 31 GLU HG3 H 2.287 0.020 2 225 35 31 GLU CA C 56.673 0.400 1 226 35 31 GLU CB C 30.065 0.400 1 227 35 31 GLU CG C 36.534 0.400 1 228 35 31 GLU N N 117.786 0.400 1 229 36 32 ASP H H 8.263 0.020 1 230 36 32 ASP HA H 4.608 0.020 1 231 36 32 ASP HB2 H 2.643 0.020 2 232 36 32 ASP HB3 H 2.820 0.020 2 233 36 32 ASP CA C 55.003 0.400 1 234 36 32 ASP CB C 40.870 0.400 1 235 36 32 ASP N N 118.476 0.400 1 236 37 33 GLU H H 8.053 0.020 1 237 37 33 GLU HA H 4.300 0.020 1 238 37 33 GLU HB2 H 1.939 0.020 2 239 37 33 GLU HB3 H 2.058 0.020 2 240 37 33 GLU CA C 56.778 0.400 1 241 37 33 GLU CB C 30.122 0.400 1 242 37 33 GLU N N 118.708 0.400 1 243 38 34 SER H H 8.153 0.020 1 244 38 34 SER HA H 4.325 0.020 1 245 38 34 SER HB2 H 3.886 0.020 2 246 38 34 SER HB3 H 3.886 0.020 2 247 38 34 SER CA C 59.287 0.400 1 248 38 34 SER CB C 64.076 0.400 1 249 38 34 SER N N 114.657 0.400 1 250 39 35 ALA H H 7.611 0.020 1 251 39 35 ALA HA H 4.501 0.020 1 252 39 35 ALA HB H 1.262 0.020 1 253 39 35 ALA CA C 52.096 0.400 1 254 39 35 ALA CB C 21.333 0.400 1 255 39 35 ALA N N 121.405 0.400 1 256 41 37 LYS HA H 4.122 0.020 1 257 41 37 LYS CA C 56.389 0.400 1 258 42 38 ARG H H 8.605 0.020 1 259 42 38 ARG HA H 4.370 0.020 1 260 42 38 ARG CA C 61.196 0.400 1 261 42 38 ARG N N 123.585 0.400 1 262 43 39 SER H H 10.216 0.020 1 263 43 39 SER HA H 4.003 0.020 1 264 43 39 SER CA C 61.082 0.400 1 265 43 39 SER N N 113.513 0.400 1 266 44 40 GLU H H 6.961 0.020 1 267 44 40 GLU HA H 4.336 0.020 1 268 44 40 GLU HB2 H 2.221 0.020 2 269 44 40 GLU HB3 H 2.221 0.020 2 270 44 40 GLU CA C 58.421 0.400 1 271 44 40 GLU CB C 30.159 0.400 1 272 44 40 GLU N N 122.552 0.400 1 273 45 41 LEU H H 8.456 0.020 1 274 45 41 LEU HA H 4.443 0.020 1 275 45 41 LEU HB2 H 1.778 0.020 2 276 45 41 LEU HB3 H 1.778 0.020 2 277 45 41 LEU CA C 58.251 0.400 1 278 45 41 LEU CB C 42.229 0.400 1 279 45 41 LEU N N 123.875 0.400 1 280 46 42 VAL H H 8.341 0.020 1 281 46 42 VAL HA H 3.585 0.020 1 282 46 42 VAL HG1 H 1.022 0.020 2 283 46 42 VAL HG2 H 1.089 0.020 2 284 46 42 VAL CA C 67.395 0.400 1 285 46 42 VAL CG1 C 21.864 0.400 1 286 46 42 VAL CG2 C 23.919 0.400 1 287 46 42 VAL N N 118.478 0.400 1 288 47 43 ASN H H 7.974 0.020 1 289 47 43 ASN HA H 4.463 0.020 1 290 47 43 ASN HB2 H 2.970 0.020 2 291 47 43 ASN HB3 H 2.860 0.020 2 292 47 43 ASN CA C 56.459 0.400 1 293 47 43 ASN CB C 38.343 0.400 1 294 47 43 ASN N N 115.335 0.400 1 295 48 44 TRP H H 8.547 0.020 1 296 48 44 TRP HA H 4.125 0.020 1 297 48 44 TRP HB2 H 3.476 0.020 2 298 48 44 TRP HB3 H 3.694 0.020 2 299 48 44 TRP HD1 H 7.196 0.020 1 300 48 44 TRP HE1 H 9.761 0.020 1 301 48 44 TRP HZ2 H 7.241 0.020 1 302 48 44 TRP HH2 H 6.963 0.020 1 303 48 44 TRP CA C 62.008 0.400 1 304 48 44 TRP CB C 27.510 0.400 1 305 48 44 TRP CD1 C 126.969 0.400 1 306 48 44 TRP CZ2 C 114.466 0.400 1 307 48 44 TRP CH2 C 123.685 0.400 1 308 48 44 TRP N N 120.826 0.400 1 309 48 44 TRP NE1 N 129.605 0.400 1 310 49 45 TYR H H 8.230 0.020 1 311 49 45 TYR HA H 4.595 0.020 1 312 49 45 TYR HB2 H 3.115 0.020 2 313 49 45 TYR HB3 H 3.018 0.020 2 314 49 45 TYR CA C 61.762 0.400 1 315 49 45 TYR CB C 38.794 0.400 1 316 49 45 TYR N N 120.317 0.400 1 317 50 46 LEU H H 8.093 0.020 1 318 50 46 LEU HA H 3.719 0.020 1 319 50 46 LEU HD1 H 0.898 0.020 2 320 50 46 LEU HD2 H 0.766 0.020 2 321 50 46 LEU CA C 57.315 0.400 1 322 50 46 LEU CD1 C 26.519 0.400 1 323 50 46 LEU CD2 C 22.733 0.400 1 324 50 46 LEU N N 115.041 0.400 1 325 51 47 LYS H H 7.506 0.020 1 326 51 47 LYS HA H 4.047 0.020 1 327 51 47 LYS HB2 H 1.838 0.020 2 328 51 47 LYS HB3 H 1.838 0.020 2 329 51 47 LYS HG2 H 1.449 0.020 2 330 51 47 LYS HG3 H 1.449 0.020 2 331 51 47 LYS CA C 58.137 0.400 1 332 51 47 LYS CB C 32.007 0.400 1 333 51 47 LYS CG C 24.932 0.400 1 334 51 47 LYS N N 115.061 0.400 1 335 52 48 GLU H H 7.728 0.020 1 336 52 48 GLU HA H 3.848 0.020 1 337 52 48 GLU HB2 H 1.456 0.020 2 338 52 48 GLU HB3 H 1.456 0.020 2 339 52 48 GLU HG2 H 1.560 0.020 2 340 52 48 GLU HG3 H 1.560 0.020 2 341 52 48 GLU CA C 58.143 0.400 1 342 52 48 GLU CB C 29.008 0.400 1 343 52 48 GLU CG C 35.320 0.400 1 344 52 48 GLU N N 120.591 0.400 1 345 53 49 ILE H H 7.076 0.020 1 346 53 49 ILE HA H 4.275 0.020 1 347 53 49 ILE HB H 1.802 0.020 1 348 53 49 ILE HG2 H 0.433 0.020 1 349 53 49 ILE CA C 60.409 0.400 1 350 53 49 ILE CB C 37.080 0.400 1 351 53 49 ILE CG2 C 18.065 0.400 1 352 53 49 ILE N N 110.048 0.400 1 353 54 50 GLU H H 7.064 0.020 1 354 54 50 GLU HA H 4.013 0.020 1 355 54 50 GLU HB2 H 2.136 0.020 2 356 54 50 GLU HB3 H 2.136 0.020 2 357 54 50 GLU CA C 58.957 0.400 1 358 54 50 GLU CB C 29.393 0.400 1 359 54 50 GLU N N 122.242 0.400 1 360 55 51 SER H H 8.244 0.020 1 361 55 51 SER HA H 4.267 0.020 1 362 55 51 SER HB2 H 3.858 0.020 2 363 55 51 SER HB3 H 3.954 0.020 2 364 55 51 SER CA C 60.147 0.400 1 365 55 51 SER CB C 63.137 0.400 1 366 55 51 SER N N 111.806 0.400 1 367 56 52 GLU H H 8.294 0.020 1 368 56 52 GLU HA H 4.380 0.020 1 369 56 52 GLU HB2 H 1.989 0.020 2 370 56 52 GLU HB3 H 1.989 0.020 2 371 56 52 GLU HG2 H 2.212 0.020 2 372 56 52 GLU HG3 H 2.212 0.020 2 373 56 52 GLU CA C 56.167 0.400 1 374 56 52 GLU CB C 30.240 0.400 1 375 56 52 GLU CG C 36.450 0.400 1 376 56 52 GLU N N 119.222 0.400 1 377 57 53 ILE H H 7.521 0.020 1 378 57 53 ILE HA H 4.111 0.020 1 379 57 53 ILE HB H 1.970 0.020 1 380 57 53 ILE HG2 H 0.908 0.020 1 381 57 53 ILE HD1 H 0.837 0.020 1 382 57 53 ILE CA C 61.263 0.400 1 383 57 53 ILE CB C 38.655 0.400 1 384 57 53 ILE CG2 C 19.946 0.400 1 385 57 53 ILE CD1 C 14.144 0.400 1 386 57 53 ILE N N 119.330 0.400 1 387 58 54 ASP H H 8.595 0.020 1 388 58 54 ASP HA H 4.823 0.020 1 389 58 54 ASP HB2 H 2.697 0.020 2 390 58 54 ASP HB3 H 2.771 0.020 2 391 58 54 ASP CA C 54.359 0.400 1 392 58 54 ASP CB C 42.306 0.400 1 393 58 54 ASP N N 123.972 0.400 1 394 59 55 SER H H 7.551 0.020 1 395 59 55 SER HA H 4.776 0.020 1 396 59 55 SER HB2 H 4.259 0.020 2 397 59 55 SER HB3 H 4.035 0.020 2 398 59 55 SER CA C 57.195 0.400 1 399 59 55 SER CB C 65.948 0.400 1 400 59 55 SER N N 111.368 0.400 1 401 60 56 GLU H H 9.019 0.020 1 402 60 56 GLU HA H 4.079 0.020 1 403 60 56 GLU HB2 H 2.110 0.020 2 404 60 56 GLU HB3 H 2.110 0.020 2 405 60 56 GLU CA C 59.547 0.400 1 406 60 56 GLU CB C 29.547 0.400 1 407 60 56 GLU N N 122.920 0.400 1 408 61 57 GLU H H 8.704 0.020 1 409 61 57 GLU HA H 4.022 0.020 1 410 61 57 GLU HB2 H 2.012 0.020 2 411 61 57 GLU HB3 H 2.114 0.020 2 412 61 57 GLU HG2 H 2.362 0.020 2 413 61 57 GLU HG3 H 2.362 0.020 2 414 61 57 GLU CA C 59.950 0.400 1 415 61 57 GLU CB C 29.410 0.400 1 416 61 57 GLU CG C 36.785 0.400 1 417 61 57 GLU N N 118.001 0.400 1 418 62 58 GLU H H 7.863 0.020 1 419 62 58 GLU HA H 4.289 0.020 1 420 62 58 GLU HB2 H 2.121 0.020 2 421 62 58 GLU HB3 H 2.121 0.020 2 422 62 58 GLU HG2 H 2.333 0.020 2 423 62 58 GLU HG3 H 2.450 0.020 2 424 62 58 GLU CA C 58.636 0.400 1 425 62 58 GLU CB C 30.075 0.400 1 426 62 58 GLU CG C 36.732 0.400 1 427 62 58 GLU N N 118.849 0.400 1 428 63 59 LEU H H 7.886 0.020 1 429 63 59 LEU HA H 3.976 0.020 1 430 63 59 LEU HB2 H 1.688 0.020 2 431 63 59 LEU HB3 H 1.688 0.020 2 432 63 59 LEU HD1 H 0.970 0.020 2 433 63 59 LEU HD2 H 0.970 0.020 2 434 63 59 LEU CA C 59.050 0.400 1 435 63 59 LEU CB C 41.601 0.400 1 436 63 59 LEU CD1 C 25.711 0.400 1 437 63 59 LEU N N 121.567 0.400 1 438 64 60 ILE H H 8.076 0.020 1 439 64 60 ILE HA H 3.701 0.020 1 440 64 60 ILE HB H 2.009 0.020 1 441 64 60 ILE HG2 H 0.939 0.020 1 442 64 60 ILE HD1 H 0.896 0.020 1 443 64 60 ILE CA C 64.525 0.400 1 444 64 60 ILE CB C 37.725 0.400 1 445 64 60 ILE CG2 C 17.763 0.400 1 446 64 60 ILE CD1 C 13.278 0.400 1 447 64 60 ILE N N 117.805 0.400 1 448 65 61 ASN H H 7.883 0.020 1 449 65 61 ASN HA H 4.514 0.020 1 450 65 61 ASN HB2 H 2.904 0.020 2 451 65 61 ASN HB3 H 2.994 0.020 2 452 65 61 ASN CA C 56.576 0.400 1 453 65 61 ASN CB C 38.598 0.400 1 454 65 61 ASN N N 117.976 0.400 1 455 66 62 LYS H H 8.592 0.020 1 456 66 62 LYS HA H 4.105 0.020 1 457 66 62 LYS HB2 H 1.762 0.020 2 458 66 62 LYS HB3 H 1.762 0.020 2 459 66 62 LYS HD2 H 1.723 0.020 2 460 66 62 LYS HD3 H 1.723 0.020 2 461 66 62 LYS CA C 58.605 0.400 1 462 66 62 LYS CB C 32.026 0.400 1 463 66 62 LYS CD C 29.059 0.400 1 464 66 62 LYS N N 118.172 0.400 1 465 67 63 LYS H H 8.651 0.020 1 466 67 63 LYS HA H 3.931 0.020 1 467 67 63 LYS HB2 H 2.136 0.020 2 468 67 63 LYS HB3 H 2.136 0.020 2 469 67 63 LYS CA C 60.358 0.400 1 470 67 63 LYS CB C 32.837 0.400 1 471 67 63 LYS N N 120.585 0.400 1 472 68 64 ARG H H 8.059 0.020 1 473 68 64 ARG HA H 4.178 0.020 1 474 68 64 ARG CA C 59.334 0.400 1 475 68 64 ARG N N 116.611 0.400 1 476 69 65 ILE H H 7.921 0.020 1 477 69 65 ILE HA H 3.744 0.020 1 478 69 65 ILE HB H 1.684 0.020 1 479 69 65 ILE HG2 H 0.643 0.020 1 480 69 65 ILE HD1 H 0.797 0.020 1 481 69 65 ILE CA C 65.258 0.400 1 482 69 65 ILE CB C 37.850 0.400 1 483 69 65 ILE CG2 C 18.652 0.400 1 484 69 65 ILE CD1 C 14.577 0.400 1 485 69 65 ILE N N 118.775 0.400 1 486 70 66 ILE H H 8.341 0.020 1 487 70 66 ILE HA H 3.901 0.020 1 488 70 66 ILE HB H 1.762 0.020 1 489 70 66 ILE HG2 H 1.206 0.020 1 490 70 66 ILE HD1 H 0.412 0.020 1 491 70 66 ILE CA C 62.723 0.400 1 492 70 66 ILE CB C 37.267 0.400 1 493 70 66 ILE CG2 C 20.707 0.400 1 494 70 66 ILE CD1 C 14.411 0.400 1 495 70 66 ILE N N 118.478 0.400 1 496 71 67 GLU H H 8.360 0.020 1 497 71 67 GLU HA H 3.875 0.020 1 498 71 67 GLU HB2 H 2.146 0.020 2 499 71 67 GLU HB3 H 2.146 0.020 2 500 71 67 GLU CA C 60.748 0.400 1 501 71 67 GLU CB C 29.448 0.400 1 502 71 67 GLU N N 120.865 0.400 1 503 72 68 LYS H H 8.057 0.020 1 504 72 68 LYS HA H 4.256 0.020 1 505 72 68 LYS HB2 H 2.154 0.020 2 506 72 68 LYS HB3 H 2.154 0.020 2 507 72 68 LYS CA C 59.631 0.400 1 508 72 68 LYS CB C 32.296 0.400 1 509 72 68 LYS N N 121.132 0.400 1 510 73 69 VAL H H 8.594 0.020 1 511 73 69 VAL HA H 3.735 0.020 1 512 73 69 VAL HG1 H 0.841 0.020 2 513 73 69 VAL HG2 H 1.164 0.020 2 514 73 69 VAL CA C 67.502 0.400 1 515 73 69 VAL CG1 C 21.576 0.400 1 516 73 69 VAL CG2 C 24.435 0.400 1 517 73 69 VAL N N 121.358 0.400 1 518 74 70 ILE HA H 3.493 0.020 1 519 74 70 ILE HD1 H 0.791 0.020 1 520 74 70 ILE CA C 66.150 0.400 1 521 74 70 ILE CD1 C 15.810 0.400 1 522 75 71 HIS H H 8.372 0.020 1 523 75 71 HIS HA H 4.434 0.020 1 524 75 71 HIS HB2 H 3.359 0.020 2 525 75 71 HIS HB3 H 3.469 0.020 2 526 75 71 HIS HD2 H 7.111 0.020 1 527 75 71 HIS HE1 H 7.709 0.020 1 528 75 71 HIS CA C 61.126 0.400 1 529 75 71 HIS CB C 30.587 0.400 1 530 75 71 HIS CD2 C 119.624 0.400 1 531 75 71 HIS CE1 C 138.389 0.400 1 532 75 71 HIS N N 121.155 0.400 1 533 76 72 ARG H H 8.426 0.020 1 534 76 72 ARG HA H 4.141 0.020 1 535 76 72 ARG HB2 H 2.096 0.020 2 536 76 72 ARG HB3 H 2.096 0.020 2 537 76 72 ARG CA C 60.100 0.400 1 538 76 72 ARG CB C 30.298 0.400 1 539 76 72 ARG N N 120.709 0.400 1 540 77 73 LEU H H 9.153 0.020 1 541 77 73 LEU HA H 4.288 0.020 1 542 77 73 LEU HB2 H 2.091 0.020 2 543 77 73 LEU HB3 H 2.091 0.020 2 544 77 73 LEU HD1 H 0.864 0.020 2 545 77 73 LEU HD2 H 0.728 0.020 2 546 77 73 LEU CA C 57.960 0.400 1 547 77 73 LEU CB C 43.583 0.400 1 548 77 73 LEU CD1 C 23.122 0.400 1 549 77 73 LEU CD2 C 26.702 0.400 1 550 77 73 LEU N N 120.335 0.400 1 551 78 74 THR H H 7.887 0.020 1 552 78 74 THR HA H 4.476 0.020 1 553 78 74 THR HG2 H 0.683 0.020 1 554 78 74 THR CA C 64.323 0.400 1 555 78 74 THR CB C 69.796 0.400 1 556 78 74 THR CG2 C 21.325 0.400 1 557 78 74 THR N N 112.289 0.400 1 558 79 75 HIS H H 8.363 0.020 1 559 79 75 HIS HA H 4.399 0.020 1 560 79 75 HIS HB2 H 2.429 0.020 2 561 79 75 HIS HB3 H 2.952 0.020 2 562 79 75 HIS HD2 H 7.230 0.020 1 563 79 75 HIS HE1 H 8.041 0.020 1 564 79 75 HIS CA C 58.384 0.400 1 565 79 75 HIS CB C 30.484 0.400 1 566 79 75 HIS CD2 C 120.011 0.400 1 567 79 75 HIS CE1 C 136.912 0.400 1 568 79 75 HIS N N 115.654 0.400 1 569 80 76 TYR HA H 4.725 0.020 1 570 80 76 TYR HB2 H 3.208 0.020 2 571 80 76 TYR HB3 H 3.103 0.020 2 572 80 76 TYR CA C 59.155 0.400 1 573 80 76 TYR CB C 39.218 0.400 1 574 81 77 ASP H H 8.233 0.020 1 575 81 77 ASP HA H 4.686 0.020 1 576 81 77 ASP HB2 H 3.089 0.020 2 577 81 77 ASP HB3 H 3.089 0.020 2 578 81 77 ASP CA C 55.846 0.400 1 579 81 77 ASP CB C 42.154 0.400 1 580 81 77 ASP N N 115.629 0.400 1 581 82 78 HIS H H 6.706 0.020 1 582 82 78 HIS HA H 4.507 0.020 1 583 82 78 HIS HB2 H 3.396 0.020 2 584 82 78 HIS HB3 H 3.459 0.020 2 585 82 78 HIS HD2 H 7.200 0.020 1 586 82 78 HIS HE1 H 8.513 0.020 1 587 82 78 HIS CA C 56.966 0.400 1 588 82 78 HIS CB C 26.129 0.400 1 589 82 78 HIS CD2 C 119.923 0.400 1 590 82 78 HIS CE1 C 136.126 0.400 1 591 82 78 HIS N N 109.441 0.400 1 592 83 79 VAL H H 8.199 0.020 1 593 83 79 VAL HA H 3.601 0.020 1 594 83 79 VAL HB H 2.087 0.020 1 595 83 79 VAL HG1 H 0.464 0.020 2 596 83 79 VAL HG2 H 0.691 0.020 2 597 83 79 VAL CA C 64.878 0.400 1 598 83 79 VAL CB C 33.854 0.400 1 599 83 79 VAL CG1 C 21.402 0.400 1 600 83 79 VAL CG2 C 23.434 0.400 1 601 83 79 VAL N N 118.767 0.400 1 602 84 80 LEU H H 6.977 0.020 1 603 84 80 LEU HA H 5.165 0.020 1 604 84 80 LEU HB2 H 1.664 0.020 2 605 84 80 LEU HB3 H 1.664 0.020 2 606 84 80 LEU CA C 51.953 0.400 1 607 84 80 LEU CB C 43.851 0.400 1 608 84 80 LEU N N 114.413 0.400 1 609 85 81 ILE H H 9.010 0.020 1 610 85 81 ILE HA H 4.272 0.020 1 611 85 81 ILE HG2 H 0.821 0.020 1 612 85 81 ILE HD1 H 0.806 0.020 1 613 85 81 ILE CA C 59.708 0.400 1 614 85 81 ILE CG2 C 17.785 0.400 1 615 85 81 ILE CD1 C 14.062 0.400 1 616 85 81 ILE N N 117.795 0.400 1 617 86 82 GLU H H 8.236 0.020 1 618 86 82 GLU HA H 5.032 0.020 1 619 86 82 GLU HB2 H 1.845 0.020 2 620 86 82 GLU HB3 H 2.068 0.020 2 621 86 82 GLU CA C 54.850 0.400 1 622 86 82 GLU CB C 30.931 0.400 1 623 86 82 GLU N N 121.674 0.400 1 624 87 83 LEU H H 9.036 0.020 1 625 87 83 LEU HA H 4.701 0.020 1 626 87 83 LEU HB2 H 1.626 0.020 2 627 87 83 LEU HB3 H 1.626 0.020 2 628 87 83 LEU CA C 54.367 0.400 1 629 87 83 LEU CB C 43.603 0.400 1 630 87 83 LEU N N 124.890 0.400 1 631 88 84 THR H H 8.255 0.020 1 632 88 84 THR HA H 4.556 0.020 1 633 88 84 THR HB H 4.422 0.020 1 634 88 84 THR HG2 H 1.286 0.020 1 635 88 84 THR CA C 61.399 0.400 1 636 88 84 THR CB C 70.355 0.400 1 637 88 84 THR CG2 C 22.447 0.400 1 638 88 84 THR N N 113.845 0.400 1 639 89 85 GLN H H 8.626 0.020 1 640 89 85 GLN HA H 4.250 0.020 1 641 89 85 GLN HB2 H 2.049 0.020 2 642 89 85 GLN HB3 H 2.148 0.020 2 643 89 85 GLN HG2 H 2.354 0.020 2 644 89 85 GLN HG3 H 2.354 0.020 2 645 89 85 GLN CA C 56.846 0.400 1 646 89 85 GLN CB C 29.566 0.400 1 647 89 85 GLN CG C 34.004 0.400 1 648 89 85 GLN N N 120.872 0.400 1 649 90 86 ALA H H 8.243 0.020 1 650 90 86 ALA HA H 4.242 0.020 1 651 90 86 ALA HB H 1.348 0.020 1 652 90 86 ALA CA C 53.229 0.400 1 653 90 86 ALA CB C 19.646 0.400 1 654 90 86 ALA N N 122.823 0.400 1 655 91 87 GLY H H 8.197 0.020 1 656 91 87 GLY HA2 H 3.946 0.020 2 657 91 87 GLY HA3 H 3.946 0.020 2 658 91 87 GLY CA C 45.693 0.400 1 659 91 87 GLY N N 106.797 0.400 1 660 92 88 LEU H H 7.938 0.020 1 661 92 88 LEU HA H 4.336 0.020 1 662 92 88 LEU HB2 H 1.598 0.020 2 663 92 88 LEU HB3 H 1.598 0.020 2 664 92 88 LEU HG H 1.558 0.020 1 665 92 88 LEU HD1 H 0.820 0.020 2 666 92 88 LEU HD2 H 0.800 0.020 2 667 92 88 LEU CA C 55.589 0.400 1 668 92 88 LEU CB C 42.484 0.400 1 669 92 88 LEU CG C 26.949 0.400 1 670 92 88 LEU CD1 C 25.543 0.400 1 671 92 88 LEU CD2 C 24.195 0.400 1 672 92 88 LEU N N 120.790 0.400 1 673 93 89 LYS H H 8.239 0.020 1 674 93 89 LYS HA H 4.332 0.020 1 675 93 89 LYS HB2 H 1.824 0.020 2 676 93 89 LYS HB3 H 1.903 0.020 2 677 93 89 LYS HG2 H 1.446 0.020 2 678 93 89 LYS HG3 H 1.446 0.020 2 679 93 89 LYS HD2 H 1.694 0.020 2 680 93 89 LYS HD3 H 1.694 0.020 2 681 93 89 LYS CA C 56.653 0.400 1 682 93 89 LYS CB C 32.891 0.400 1 683 93 89 LYS CG C 24.987 0.400 1 684 93 89 LYS CD C 29.172 0.400 1 685 93 89 LYS N N 119.846 0.400 1 686 94 90 GLY H H 8.286 0.020 1 687 94 90 GLY HA2 H 4.030 0.020 2 688 94 90 GLY HA3 H 4.030 0.020 2 689 94 90 GLY CA C 45.580 0.400 1 690 94 90 GLY N N 109.005 0.400 1 691 95 91 SER HA H 4.598 0.020 1 692 95 91 SER HB2 H 3.923 0.020 2 693 95 91 SER HB3 H 3.923 0.020 2 694 95 91 SER CA C 58.289 0.400 1 695 95 91 SER CB C 64.031 0.400 1 696 96 92 THR H H 8.249 0.020 1 697 96 92 THR HA H 4.439 0.020 1 698 96 92 THR HB H 4.351 0.020 1 699 96 92 THR HG2 H 1.238 0.020 1 700 96 92 THR CA C 61.975 0.400 1 701 96 92 THR CB C 69.762 0.400 1 702 96 92 THR CG2 C 22.301 0.400 1 703 96 92 THR N N 114.649 0.400 1 704 97 93 GLU H H 8.405 0.020 1 705 97 93 GLU HA H 4.332 0.020 1 706 97 93 GLU HB2 H 1.994 0.020 2 707 97 93 GLU HB3 H 2.108 0.020 2 708 97 93 GLU HG2 H 2.303 0.020 2 709 97 93 GLU HG3 H 2.303 0.020 2 710 97 93 GLU CA C 57.028 0.400 1 711 97 93 GLU CB C 30.313 0.400 1 712 97 93 GLU CG C 36.374 0.400 1 713 97 93 GLU N N 122.313 0.400 1 714 98 94 GLY H H 8.444 0.020 1 715 98 94 GLY HA2 H 4.033 0.020 2 716 98 94 GLY HA3 H 4.033 0.020 2 717 98 94 GLY CA C 45.595 0.400 1 718 98 94 GLY N N 109.638 0.400 1 719 99 95 SER H H 8.153 0.020 1 720 99 95 SER HA H 4.495 0.020 1 721 99 95 SER HB2 H 3.897 0.020 2 722 99 95 SER HB3 H 3.897 0.020 2 723 99 95 SER CA C 58.572 0.400 1 724 99 95 SER CB C 63.997 0.400 1 725 99 95 SER N N 114.657 0.400 1 726 100 96 GLU H H 8.560 0.020 1 727 100 96 GLU HA H 4.364 0.020 1 728 100 96 GLU HB2 H 1.969 0.020 2 729 100 96 GLU HB3 H 2.075 0.020 2 730 100 96 GLU HG2 H 2.289 0.020 2 731 100 96 GLU HG3 H 2.289 0.020 2 732 100 96 GLU CA C 57.011 0.400 1 733 100 96 GLU CB C 30.183 0.400 1 734 100 96 GLU CG C 36.424 0.400 1 735 100 96 GLU N N 121.768 0.400 1 736 101 97 SER H H 8.191 0.020 1 737 101 97 SER HA H 4.483 0.020 1 738 101 97 SER HB2 H 3.849 0.020 2 739 101 97 SER HB3 H 3.849 0.020 2 740 101 97 SER CA C 58.472 0.400 1 741 101 97 SER CB C 63.958 0.400 1 742 101 97 SER N N 115.160 0.400 1 743 102 98 TYR H H 8.167 0.020 1 744 102 98 TYR HA H 4.582 0.020 1 745 102 98 TYR HB2 H 3.036 0.020 2 746 102 98 TYR HB3 H 3.111 0.020 2 747 102 98 TYR CA C 58.226 0.400 1 748 102 98 TYR CB C 38.891 0.400 1 749 102 98 TYR N N 121.885 0.400 1 750 103 99 GLU H H 8.208 0.020 1 751 103 99 GLU HA H 4.212 0.020 1 752 103 99 GLU HB2 H 1.918 0.020 2 753 103 99 GLU HB3 H 2.016 0.020 2 754 103 99 GLU HG2 H 2.244 0.020 2 755 103 99 GLU HG3 H 2.244 0.020 2 756 103 99 GLU CA C 56.638 0.400 1 757 103 99 GLU CB C 30.566 0.400 1 758 103 99 GLU CG C 36.447 0.400 1 759 103 99 GLU N N 121.193 0.400 1 760 104 100 GLU H H 8.203 0.020 1 761 104 100 GLU HA H 4.167 0.020 1 762 104 100 GLU HB2 H 2.016 0.020 2 763 104 100 GLU HB3 H 2.092 0.020 2 764 104 100 GLU HG2 H 2.285 0.020 2 765 104 100 GLU HG3 H 2.285 0.020 2 766 104 100 GLU CA C 57.330 0.400 1 767 104 100 GLU CB C 30.352 0.400 1 768 104 100 GLU CG C 36.475 0.400 1 769 104 100 GLU N N 120.746 0.400 1 770 105 101 ASP H H 8.194 0.020 1 771 105 101 ASP HA H 5.111 0.020 1 772 105 101 ASP HB2 H 2.411 0.020 2 773 105 101 ASP HB3 H 2.847 0.020 2 774 105 101 ASP CA C 51.730 0.400 1 775 105 101 ASP CB C 40.419 0.400 1 776 105 101 ASP N N 119.294 0.400 1 777 106 102 PRO HA H 4.464 0.020 1 778 106 102 PRO HB2 H 2.185 0.020 2 779 106 102 PRO HB3 H 2.185 0.020 2 780 106 102 PRO CA C 62.868 0.400 1 781 106 102 PRO CB C 32.475 0.400 1 782 107 103 TYR H H 8.214 0.020 1 783 107 103 TYR HA H 4.454 0.020 1 784 107 103 TYR HB2 H 2.653 0.020 2 785 107 103 TYR HB3 H 2.874 0.020 2 786 107 103 TYR CA C 59.045 0.400 1 787 107 103 TYR CB C 39.683 0.400 1 788 107 103 TYR N N 116.105 0.400 1 789 108 104 LEU H H 8.594 0.020 1 790 108 104 LEU HA H 5.462 0.020 1 791 108 104 LEU HB2 H 1.627 0.020 2 792 108 104 LEU HB3 H 1.627 0.020 2 793 108 104 LEU CA C 53.489 0.400 1 794 108 104 LEU CB C 45.876 0.400 1 795 108 104 LEU N N 121.358 0.400 1 796 109 105 VAL H H 8.209 0.020 1 797 109 105 VAL HA H 4.733 0.020 1 798 109 105 VAL HB H 2.263 0.020 1 799 109 105 VAL HG1 H 0.718 0.020 2 800 109 105 VAL HG2 H 0.938 0.020 2 801 109 105 VAL CA C 58.605 0.400 1 802 109 105 VAL CB C 36.111 0.400 1 803 109 105 VAL CG1 C 19.614 0.400 1 804 109 105 VAL CG2 C 23.115 0.400 1 805 109 105 VAL N N 109.428 0.400 1 806 110 106 VAL H H 8.769 0.020 1 807 110 106 VAL HA H 4.152 0.020 1 808 110 106 VAL HB H 1.978 0.020 1 809 110 106 VAL HG1 H 1.005 0.020 2 810 110 106 VAL HG2 H 1.061 0.020 2 811 110 106 VAL CA C 62.909 0.400 1 812 110 106 VAL CB C 32.103 0.400 1 813 110 106 VAL CG1 C 24.612 0.400 1 814 110 106 VAL CG2 C 22.488 0.400 1 815 110 106 VAL N N 120.456 0.400 1 816 111 107 ASN H H 8.891 0.020 1 817 111 107 ASN HA H 4.145 0.020 1 818 111 107 ASN HB2 H 3.171 0.020 2 819 111 107 ASN HB3 H 2.600 0.020 2 820 111 107 ASN CA C 51.289 0.400 1 821 111 107 ASN CB C 39.264 0.400 1 822 111 107 ASN N N 125.763 0.400 1 823 112 108 PRO HA H 4.461 0.020 1 824 112 108 PRO HB2 H 2.017 0.020 2 825 112 108 PRO HB3 H 2.406 0.020 2 826 112 108 PRO CA C 64.380 0.400 1 827 112 108 PRO CB C 32.349 0.400 1 828 113 109 ASN H H 8.099 0.020 1 829 113 109 ASN HA H 4.703 0.020 1 830 113 109 ASN HB2 H 2.624 0.020 2 831 113 109 ASN HB3 H 2.865 0.020 2 832 113 109 ASN CA C 53.549 0.400 1 833 113 109 ASN CB C 38.945 0.400 1 834 113 109 ASN N N 113.817 0.400 1 835 114 110 TYR H H 7.816 0.020 1 836 114 110 TYR HA H 4.442 0.020 1 837 114 110 TYR HB2 H 3.056 0.020 2 838 114 110 TYR HB3 H 3.152 0.020 2 839 114 110 TYR CA C 59.070 0.400 1 840 114 110 TYR CB C 39.129 0.400 1 841 114 110 TYR N N 120.291 0.400 1 842 115 111 LEU H H 7.699 0.020 1 843 115 111 LEU HA H 4.214 0.020 1 844 115 111 LEU HB2 H 1.479 0.020 2 845 115 111 LEU HB3 H 1.553 0.020 2 846 115 111 LEU HD1 H 0.846 0.020 2 847 115 111 LEU HD2 H 0.772 0.020 2 848 115 111 LEU CA C 54.756 0.400 1 849 115 111 LEU CB C 42.517 0.400 1 850 115 111 LEU CD1 C 25.647 0.400 1 851 115 111 LEU CD2 C 24.130 0.400 1 852 115 111 LEU N N 124.140 0.400 1 853 116 112 LEU H H 7.831 0.020 1 854 116 112 LEU HA H 4.307 0.020 1 855 116 112 LEU HB2 H 1.599 0.020 2 856 116 112 LEU HB3 H 1.599 0.020 2 857 116 112 LEU CA C 55.142 0.400 1 858 116 112 LEU CB C 42.574 0.400 1 859 116 112 LEU N N 121.830 0.400 1 860 117 113 GLU H H 8.182 0.020 1 861 117 113 GLU HA H 4.342 0.020 1 862 117 113 GLU HB2 H 1.905 0.020 2 863 117 113 GLU HB3 H 2.091 0.020 2 864 117 113 GLU HG2 H 2.240 0.020 2 865 117 113 GLU HG3 H 2.240 0.020 2 866 117 113 GLU CA C 56.310 0.400 1 867 117 113 GLU CB C 30.930 0.400 1 868 117 113 GLU CG C 36.459 0.400 1 869 117 113 GLU N N 121.586 0.400 1 870 118 114 ASP H H 7.926 0.020 1 871 118 114 ASP HA H 4.392 0.020 1 872 118 114 ASP HB2 H 2.656 0.020 2 873 118 114 ASP HB3 H 2.568 0.020 2 874 118 114 ASP CA C 55.988 0.400 1 875 118 114 ASP CB C 42.524 0.400 1 876 118 114 ASP N N 126.320 0.400 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein_comp2 _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 1 380 1 SER HB2 H 3.914 0.020 2 2 380 1 SER HB3 H 3.914 0.020 2 3 380 1 SER CB C 63.908 0.400 1 4 381 2 ALA HA H 4.436 0.020 1 5 381 2 ALA HB H 1.433 0.020 1 6 381 2 ALA CA C 52.280 0.400 1 7 381 2 ALA CB C 19.434 0.400 1 8 382 3 LEU H H 7.977 0.020 1 9 382 3 LEU HA H 4.404 0.020 1 10 382 3 LEU HB2 H 1.689 0.020 2 11 382 3 LEU HB3 H 1.689 0.020 2 12 382 3 LEU HG H 1.726 0.020 1 13 382 3 LEU HD1 H 0.935 0.020 2 14 382 3 LEU HD2 H 0.974 0.020 2 15 382 3 LEU CA C 55.145 0.400 1 16 382 3 LEU CB C 42.419 0.400 1 17 382 3 LEU CG C 26.972 0.400 1 18 382 3 LEU CD1 C 23.405 0.400 1 19 382 3 LEU CD2 C 25.456 0.400 1 20 382 3 LEU N N 119.855 0.400 1 21 383 4 LYS H H 8.108 0.020 1 22 383 4 LYS HA H 4.300 0.020 1 23 383 4 LYS HB2 H 1.874 0.020 2 24 383 4 LYS HB3 H 1.874 0.020 2 25 383 4 LYS HD2 H 1.744 0.020 2 26 383 4 LYS HD3 H 1.744 0.020 2 27 383 4 LYS CA C 55.957 0.400 1 28 383 4 LYS CB C 33.012 0.400 1 29 383 4 LYS CD C 24.737 0.400 1 30 383 4 LYS N N 121.532 0.400 1 31 384 5 GLY HA2 H 4.040 0.020 2 32 384 5 GLY HA3 H 4.040 0.020 2 33 384 5 GLY CA C 45.329 0.400 1 34 385 6 VAL H H 7.778 0.020 1 35 385 6 VAL HA H 4.252 0.020 1 36 385 6 VAL HB H 2.115 0.020 1 37 385 6 VAL HG1 H 1.004 0.020 2 38 385 6 VAL HG2 H 0.977 0.020 2 39 385 6 VAL CA C 62.017 0.400 1 40 385 6 VAL CB C 33.159 0.400 1 41 385 6 VAL CG1 C 21.294 0.400 1 42 385 6 VAL CG2 C 20.380 0.400 1 43 385 6 VAL N N 120.515 0.400 1 44 386 7 SER HA H 4.497 0.020 1 45 386 7 SER HB2 H 3.914 0.020 2 46 386 7 SER HB3 H 3.914 0.020 2 47 386 7 SER CA C 58.269 0.400 1 48 386 7 SER CB C 63.908 0.400 1 49 387 8 GLN HA H 4.237 0.020 1 50 387 8 GLN HB2 H 2.158 0.020 2 51 387 8 GLN HB3 H 2.158 0.020 2 52 387 8 GLN HG2 H 2.463 0.020 2 53 387 8 GLN HG3 H 2.463 0.020 2 54 387 8 GLN HE21 H 6.842 0.020 2 55 387 8 GLN HE22 H 7.475 0.020 2 56 387 8 GLN CA C 57.448 0.400 1 57 387 8 GLN CB C 28.866 0.400 1 58 387 8 GLN CG C 33.093 0.400 1 59 387 8 GLN NE2 N 111.904 0.400 1 60 388 9 ASP H H 8.416 0.020 1 61 388 9 ASP HA H 4.598 0.020 1 62 388 9 ASP HB2 H 2.735 0.020 2 63 388 9 ASP HB3 H 2.735 0.020 2 64 388 9 ASP CA C 55.747 0.400 1 65 388 9 ASP CB C 41.037 0.400 1 66 388 9 ASP N N 118.272 0.400 1 67 389 10 LEU HA H 4.362 0.020 1 68 389 10 LEU HB2 H 1.730 0.020 2 69 389 10 LEU HB3 H 1.730 0.020 2 70 389 10 LEU HD1 H 0.986 0.020 2 71 389 10 LEU HD2 H 0.936 0.020 2 72 389 10 LEU CA C 56.354 0.400 1 73 389 10 LEU CB C 42.435 0.400 1 74 389 10 LEU CD1 C 24.967 0.400 1 75 389 10 LEU CD2 C 23.675 0.400 1 76 390 11 LEU HA H 4.156 0.020 1 77 390 11 LEU HB2 H 1.805 0.020 2 78 390 11 LEU HB3 H 1.805 0.020 2 79 390 11 LEU HG H 1.726 0.020 1 80 390 11 LEU HD1 H 0.942 0.020 2 81 390 11 LEU HD2 H 0.909 0.020 2 82 390 11 LEU CA C 57.173 0.400 1 83 390 11 LEU CB C 41.855 0.400 1 84 390 11 LEU CG C 26.972 0.400 1 85 390 11 LEU CD1 C 24.054 0.400 1 86 390 11 LEU CD2 C 24.454 0.400 1 87 391 12 GLU H H 8.264 0.020 1 88 391 12 GLU HA H 4.053 0.020 1 89 391 12 GLU HB2 H 2.146 0.020 2 90 391 12 GLU HB3 H 2.146 0.020 2 91 391 12 GLU HG2 H 2.483 0.020 2 92 391 12 GLU HG3 H 2.483 0.020 2 93 391 12 GLU CA C 55.391 0.400 1 94 391 12 GLU CB C 30.078 0.400 1 95 391 12 GLU CG C 36.550 0.400 1 96 391 12 GLU N N 117.681 0.400 1 97 392 13 ARG H H 7.918 0.020 1 98 392 13 ARG HA H 4.186 0.020 1 99 392 13 ARG HB2 H 1.980 0.020 2 100 392 13 ARG HB3 H 1.980 0.020 2 101 392 13 ARG HG2 H 1.819 0.020 2 102 392 13 ARG HG3 H 1.706 0.020 2 103 392 13 ARG HD2 H 3.253 0.020 2 104 392 13 ARG HD3 H 3.253 0.020 2 105 392 13 ARG CB C 30.552 0.400 1 106 392 13 ARG CG C 27.504 0.400 1 107 392 13 ARG CD C 43.443 0.400 1 108 392 13 ARG N N 120.251 0.400 1 109 393 14 ILE HA H 3.895 0.020 1 110 393 14 ILE HG12 H 1.249 0.020 2 111 393 14 ILE HG13 H 1.249 0.020 2 112 393 14 ILE HG2 H 0.955 0.020 1 113 393 14 ILE HD1 H 0.902 0.020 1 114 393 14 ILE CA C 63.381 0.400 1 115 393 14 ILE CB C 38.571 0.400 1 116 393 14 ILE CG1 C 27.471 0.400 1 117 393 14 ILE CG2 C 17.567 0.400 1 118 393 14 ILE CD1 C 12.955 0.400 1 119 394 15 ARG HB2 H 1.920 0.020 2 120 394 15 ARG HB3 H 1.920 0.020 2 121 394 15 ARG HG2 H 1.806 0.020 2 122 394 15 ARG HG3 H 1.707 0.020 2 123 394 15 ARG HD2 H 3.246 0.020 2 124 394 15 ARG HD3 H 3.246 0.020 2 125 394 15 ARG CB C 30.505 0.400 1 126 394 15 ARG CG C 27.457 0.400 1 127 394 15 ARG CD C 42.417 0.400 1 128 395 16 ALA H H 8.040 0.020 1 129 395 16 ALA HA H 4.173 0.020 1 130 395 16 ALA HB H 1.553 0.020 1 131 395 16 ALA CA C 53.793 0.400 1 132 395 16 ALA CB C 18.261 0.400 1 133 395 16 ALA N N 122.153 0.400 1 134 396 17 LYS H H 7.901 0.020 1 135 396 17 LYS HA H 4.180 0.020 1 136 396 17 LYS HB2 H 1.930 0.020 2 137 396 17 LYS HB3 H 1.930 0.020 2 138 396 17 LYS HG2 H 1.530 0.020 2 139 396 17 LYS HG3 H 1.530 0.020 2 140 396 17 LYS CA C 58.081 0.400 1 141 396 17 LYS CB C 32.859 0.400 1 142 396 17 LYS CG C 24.882 0.400 1 143 396 17 LYS N N 119.829 0.400 1 144 397 18 GLU H H 8.258 0.020 1 145 397 18 GLU HA H 4.195 0.020 1 146 397 18 GLU HB2 H 2.158 0.020 2 147 397 18 GLU HB3 H 2.158 0.020 2 148 397 18 GLU HG2 H 2.373 0.020 2 149 397 18 GLU HG3 H 2.373 0.020 2 150 397 18 GLU CA C 57.893 0.400 1 151 397 18 GLU CB C 30.078 0.400 1 152 397 18 GLU CG C 36.518 0.400 1 153 397 18 GLU N N 120.670 0.400 1 154 398 19 ALA H H 8.034 0.020 1 155 398 19 ALA HA H 4.173 0.020 1 156 398 19 ALA HB H 1.529 0.020 1 157 398 19 ALA CA C 53.793 0.400 1 158 398 19 ALA CB C 18.692 0.400 1 159 398 19 ALA N N 122.769 0.400 1 160 399 20 GLN H H 7.957 0.020 1 161 399 20 GLN HA H 4.203 0.020 1 162 399 20 GLN HB2 H 2.211 0.020 2 163 399 20 GLN HB3 H 2.211 0.020 2 164 399 20 GLN HG2 H 2.540 0.020 2 165 399 20 GLN HG3 H 2.540 0.020 2 166 399 20 GLN HE21 H 6.778 0.020 2 167 399 20 GLN HE22 H 7.684 0.020 2 168 399 20 GLN CA C 57.293 0.400 1 169 399 20 GLN CG C 34.008 0.400 1 170 399 20 GLN N N 117.541 0.400 1 171 399 20 GLN NE2 N 112.320 0.400 1 172 400 21 LYS H H 7.973 0.020 1 173 400 21 LYS HA H 4.242 0.020 1 174 400 21 LYS HB2 H 1.925 0.020 2 175 400 21 LYS HB3 H 1.925 0.020 2 176 400 21 LYS HD2 H 1.772 0.020 2 177 400 21 LYS HD3 H 1.772 0.020 2 178 400 21 LYS HE2 H 3.049 0.020 2 179 400 21 LYS HE3 H 3.049 0.020 2 180 400 21 LYS CA C 57.378 0.400 1 181 400 21 LYS CB C 32.897 0.400 1 182 400 21 LYS CD C 29.122 0.400 1 183 400 21 LYS CE C 42.023 0.400 1 184 400 21 LYS N N 120.530 0.400 1 185 401 22 GLN H H 8.055 0.020 1 186 401 22 GLN HA H 4.287 0.020 1 187 401 22 GLN HB2 H 2.190 0.020 2 188 401 22 GLN HB3 H 2.190 0.020 2 189 401 22 GLN HG2 H 2.498 0.020 2 190 401 22 GLN HG3 H 2.498 0.020 2 191 401 22 GLN HE21 H 6.847 0.020 2 192 401 22 GLN HE22 H 7.475 0.020 2 193 401 22 GLN CA C 57.039 0.400 1 194 401 22 GLN CB C 29.245 0.400 1 195 401 22 GLN CG C 33.628 0.400 1 196 401 22 GLN N N 119.041 0.400 1 197 401 22 GLN NE2 N 111.950 0.400 1 198 402 23 LEU H H 7.975 0.020 1 199 402 23 LEU HA H 4.286 0.020 1 200 402 23 LEU HB2 H 1.759 0.020 2 201 402 23 LEU HB3 H 1.759 0.020 2 202 402 23 LEU HD1 H 0.935 0.020 2 203 402 23 LEU HD2 H 0.992 0.020 2 204 402 23 LEU CD1 C 23.405 0.400 1 205 402 23 LEU CD2 C 25.149 0.400 1 206 402 23 LEU N N 121.434 0.400 1 207 403 24 ALA HA H 4.309 0.020 1 208 403 24 ALA HB H 1.500 0.020 1 209 403 24 ALA CA C 53.302 0.400 1 210 403 24 ALA CB C 18.876 0.400 1 211 404 25 GLN H H 8.013 0.020 1 212 404 25 GLN HA H 4.390 0.020 1 213 404 25 GLN HB2 H 2.099 0.020 2 214 404 25 GLN HB3 H 2.099 0.020 2 215 404 25 GLN HG2 H 2.470 0.020 2 216 404 25 GLN HG3 H 2.470 0.020 2 217 404 25 GLN CA C 55.867 0.400 1 218 404 25 GLN CB C 29.241 0.400 1 219 404 25 GLN CG C 33.866 0.400 1 220 404 25 GLN N N 117.507 0.400 1 221 405 26 MET H H 8.091 0.020 1 222 405 26 MET HA H 4.491 0.020 1 223 405 26 MET HB2 H 2.105 0.020 2 224 405 26 MET HB3 H 2.105 0.020 2 225 405 26 MET HG2 H 2.609 0.020 2 226 405 26 MET HG3 H 2.609 0.020 2 227 405 26 MET HE H 2.133 0.020 1 228 405 26 MET CA C 55.926 0.400 1 229 405 26 MET CG C 31.986 0.400 1 230 405 26 MET CE C 17.075 0.400 1 231 405 26 MET N N 120.069 0.400 1 232 406 27 THR H H 7.993 0.020 1 233 406 27 THR HA H 4.284 0.020 1 234 406 27 THR HB H 4.041 0.020 1 235 406 27 THR HG2 H 1.088 0.020 1 236 406 27 THR CA C 61.734 0.400 1 237 406 27 THR CB C 69.817 0.400 1 238 406 27 THR CG2 C 21.586 0.400 1 239 406 27 THR N N 114.768 0.400 1 240 407 28 ARG H H 7.989 0.020 1 241 407 28 ARG HA H 4.309 0.020 1 242 407 28 ARG HB2 H 1.745 0.020 2 243 407 28 ARG HB3 H 1.606 0.020 2 244 407 28 ARG HG2 H 1.504 0.020 2 245 407 28 ARG HG3 H 1.504 0.020 2 246 407 28 ARG HD2 H 3.135 0.020 2 247 407 28 ARG HD3 H 3.135 0.020 2 248 407 28 ARG CB C 30.983 0.400 1 249 407 28 ARG CG C 26.962 0.400 1 250 407 28 ARG CD C 43.273 0.400 1 251 407 28 ARG N N 123.342 0.400 1 stop_ save_