data_16796 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the Cdt1 binding domain(CBD) in complex with the MCM6 binding domain (MBD) ; _BMRB_accession_number 16796 _BMRB_flat_file_name bmr16796.str _Entry_type original _Submission_date 2010-03-28 _Accession_date 2010-03-28 _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" 642 "13C chemical shifts" 364 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-19 original author . stop_ _Original_release_date 2011-05-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Characterization and structure determination of the Cdt1 binding domain of human minichromosome maintenance (Mcm) 6.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20202939 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wei Zhun . . 2 Liu Changdong . . 3 Wu Xing . . 4 Xu Naining . . 5 Zhou Bo . . 6 Liang Chun . . 7 Zhu Guang . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12469 _Page_last 12473 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cdt1 binding domain(CBD) in complex with the MCM6 binding domain (MBD)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CBD $CBD MBD $MBD 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_CBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CBD _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 1 708 ALA 2 709 PRO 3 710 LYS 4 711 ALA 5 712 SER 6 713 LEU 7 714 ARG 8 715 LEU 9 716 GLY 10 717 PHE 11 718 SER 12 719 GLU 13 720 TYR 14 721 SER 15 722 ARG 16 723 ILE 17 724 SER 18 725 ASN 19 726 LEU 20 727 ILE 21 728 VAL 22 729 LEU 23 730 HIS 24 731 LEU 25 732 ARG 26 733 LYS 27 734 VAL 28 735 GLU 29 736 GLU 30 737 GLU 31 738 GLU 32 739 ASP 33 740 GLU 34 741 SER 35 742 ALA 36 743 LEU 37 744 LYS 38 745 ARG 39 746 SER 40 747 GLU 41 748 LEU 42 749 VAL 43 750 ASN 44 751 TRP 45 752 TYR 46 753 LEU 47 754 LYS 48 755 GLU 49 756 ILE 50 757 GLU 51 758 SER 52 759 GLU 53 760 ILE 54 761 ASP 55 762 SER 56 763 GLU 57 764 GLU 58 765 GLU 59 766 LEU 60 767 ILE 61 768 ASN 62 769 LYS 63 770 LYS 64 771 ARG 65 772 ILE 66 773 ILE 67 774 GLU 68 775 LYS 69 776 VAL 70 777 ILE 71 778 HIS 72 779 ARG 73 780 LEU 74 781 THR 75 782 HIS 76 783 TYR 77 784 ASP 78 785 HIS 79 786 VAL 80 787 LEU 81 788 ILE 82 789 GLU 83 790 LEU 84 791 THR 85 792 GLN 86 793 ALA 87 794 GLY 88 795 LEU 89 796 LYS 90 797 GLY 91 798 SER 92 799 THR 93 800 GLU 94 801 GLY 95 802 SER 96 803 GLU 97 804 SER 98 805 TYR 99 806 GLU 100 807 GLU 101 808 ASP 102 809 PRO 103 810 TYR 104 811 LEU 105 812 VAL 106 813 VAL 107 814 ASN 108 815 PRO 109 816 ASN 110 817 TYR 111 818 LEU 112 819 LEU 113 820 GLU 114 821 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 17702 protein_comp1 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_MBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MBD _Molecular_mass 3359.926 _Mol_thiol_state 'not present' _Details . _Residue_count 30 _Mol_residue_sequence ; SPSALKGVSQDLLERIRAKE AQKQLAQMTR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 411 SER 2 412 PRO 3 413 SER 4 414 ALA 5 415 LEU 6 416 LYS 7 417 GLY 8 418 VAL 9 419 SER 10 420 GLN 11 421 ASP 12 422 LEU 13 423 LEU 14 424 GLU 15 425 ARG 16 426 ILE 17 427 ARG 18 428 ALA 19 429 LYS 20 430 GLU 21 431 ALA 22 432 GLN 23 433 LYS 24 434 GLN 25 435 LEU 26 436 ALA 27 437 GLN 28 438 MET 29 439 THR 30 440 ARG 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 17702 protein_comp2 93.33 29 100.00 100.00 8.62e-09 PDB 2LE8 "The Protein Complex For Dna Replication" 93.33 29 100.00 100.00 8.62e-09 PDB 2WVR "Human Cdt1:geminin Complex" 100.00 546 100.00 100.00 6.52e-09 DBJ BAB61878 "Cdt1 [Homo sapiens]" 100.00 546 100.00 100.00 6.71e-09 GB AAG45181 "DNA replication factor [Homo sapiens]" 100.00 546 100.00 100.00 6.71e-09 GB AAH00137 "Chromatin licensing and DNA replication factor 1 [Homo sapiens]" 100.00 546 100.00 100.00 6.52e-09 GB AAH08676 "CDT1 protein, partial [Homo sapiens]" 100.00 510 100.00 100.00 6.51e-09 GB AAH08860 "CDT1 protein, partial [Homo sapiens]" 100.00 528 100.00 100.00 6.16e-09 GB AAH09410 "Chromatin licensing and DNA replication factor 1 [Homo sapiens]" 100.00 546 100.00 100.00 6.52e-09 REF NP_112190 "DNA replication factor Cdt1 [Homo sapiens]" 100.00 546 100.00 100.00 6.40e-09 REF XP_003280692 "PREDICTED: DNA replication factor Cdt1 [Nomascus leucogenys]" 100.00 494 100.00 100.00 6.13e-09 REF XP_004058184 "PREDICTED: DNA replication factor Cdt1 [Gorilla gorilla gorilla]" 100.00 552 100.00 100.00 6.39e-09 REF XP_006926820 "PREDICTED: DNA replication factor Cdt1 [Pteropus alecto]" 86.67 552 100.00 100.00 2.55e-06 REF XP_008973138 "PREDICTED: DNA replication factor Cdt1 [Pan paniscus]" 100.00 508 100.00 100.00 5.83e-09 SP Q9H211 "RecName: Full=DNA replication factor Cdt1; AltName: Full=Double parked homolog; Short=DUP [Homo sapiens]" 100.00 546 100.00 100.00 6.40e-09 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CBD Human 9606 Eukaryota Metazoa Homo sapiens $MBD 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 $CBD 'recombinant technology' . Escherichia coli . PET28a $MBD 'recombinant technology' . Escherichia coli . PET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBD 0.6 mM '[U-100% 15N]' $MBD 1 mM '[U-100% 15N]' stop_ save_ save_13C_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBD 0.6 mM '[U-100% 13C]' $MBD 1 mM '[U-100% 13C]' stop_ save_ save_15N-13C_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBD 0.6 mM '[U-100% 13C; U-100% 15N]' $MBD 1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_15N-13C_sample_mixed_with_nonlabeled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBD 0.6 mM '[U-100% 13C; U-100% 15N]' $MBD 1.0 mM 'natural abundance' stop_ save_ save_15N-13C_sample_mixed_with_nonlabeled_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBD 1.0 mM 'natural abundance' $MBD 0.8 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ 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 3.112 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 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 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_WhatIF _Saveframe_category software _Name WhatIF _Version . loop_ _Vendor _Address _Electronic_address Vriend . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_HADDOCK _Saveframe_category software _Name HADDOCK _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Alexandre Bonvin, Utrecht University' . . stop_ loop_ _Task 'structure solution' 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 $15N_sample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C_sample save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N-13C_sample save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N-13C_sample save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N-13C_sample save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N-13C_sample save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $15N-13C_sample save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N-13C_sample save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C_sample save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_sample save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_sample save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C_sample save_ save_13C-edited_(F1_),_13C/15N-filtered_(F3)3D_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited (F1 ), 13C/15N-filtered (F3)3D NOESY' _Sample_label $15N-13C_sample_mixed_with_nonlabeled_sample 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' 0.5 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 . indirect . . . 0.404808636 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' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $15N_sample $13C_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CBD _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 1 708 1 ALA H H 8.253 0.020 1 2 708 1 ALA HA H 4.622 0.020 1 3 708 1 ALA CA C 50.661 0.400 1 4 708 1 ALA N N 126.076 0.400 1 5 709 2 PRO HA H 4.447 0.020 1 6 709 2 PRO HB2 H 2.312 0.020 2 7 709 2 PRO HB3 H 2.312 0.020 2 8 709 2 PRO HD2 H 3.814 0.020 2 9 709 2 PRO HD3 H 3.672 0.020 2 10 709 2 PRO HG2 H 1.924 0.020 2 11 709 2 PRO HG3 H 1.924 0.020 2 12 709 2 PRO CA C 63.227 0.400 1 13 709 2 PRO CB C 32.087 0.400 1 14 709 2 PRO CD C 50.569 0.400 1 15 709 2 PRO CG C 27.527 0.400 1 16 710 3 LYS H H 8.324 0.020 1 17 710 3 LYS HA H 4.270 0.020 1 18 710 3 LYS HB2 H 1.813 0.020 2 19 710 3 LYS HB3 H 1.813 0.020 2 20 710 3 LYS HG2 H 1.484 0.020 2 21 710 3 LYS HG3 H 1.484 0.020 2 22 710 3 LYS CA C 56.677 0.400 1 23 710 3 LYS CB C 33.058 0.400 1 24 710 3 LYS CG C 25.195 0.400 1 25 710 3 LYS N N 120.550 0.400 1 26 711 4 ALA H H 8.237 0.020 1 27 711 4 ALA HA H 4.330 0.020 1 28 711 4 ALA CA C 52.823 0.400 1 29 711 4 ALA N N 123.879 0.400 1 30 712 5 SER H H 8.099 0.020 1 31 712 5 SER HA H 4.419 0.020 1 32 712 5 SER HB2 H 3.869 0.020 2 33 712 5 SER HB3 H 3.869 0.020 2 34 712 5 SER CA C 58.492 0.400 1 35 712 5 SER CB C 63.935 0.400 1 36 712 5 SER N N 113.817 0.400 1 37 713 6 LEU H H 8.114 0.020 1 38 713 6 LEU HA H 4.399 0.020 1 39 713 6 LEU HB2 H 1.618 0.020 2 40 713 6 LEU HB3 H 1.618 0.020 2 41 713 6 LEU CA C 55.195 0.400 1 42 713 6 LEU CB C 42.714 0.400 1 43 713 6 LEU N N 123.133 0.400 1 44 714 7 ARG HB2 H 1.714 0.020 2 45 714 7 ARG HB3 H 1.714 0.020 2 46 714 7 ARG HD2 H 3.192 0.020 2 47 714 7 ARG HD3 H 3.192 0.020 2 48 714 7 ARG CB C 30.731 0.400 1 49 714 7 ARG CD C 43.567 0.400 1 50 715 8 LEU H H 8.141 0.020 1 51 715 8 LEU HA H 4.306 0.020 1 52 715 8 LEU HB2 H 1.597 0.020 2 53 715 8 LEU HB3 H 1.597 0.020 2 54 715 8 LEU CA C 54.873 0.400 1 55 715 8 LEU CB C 43.704 0.400 1 56 715 8 LEU N N 122.998 0.400 1 57 716 9 GLY H H 8.627 0.020 1 58 716 9 GLY HA2 H 4.062 0.020 2 59 716 9 GLY HA3 H 4.267 0.020 2 60 716 9 GLY CA C 44.968 0.400 1 61 716 9 GLY N N 111.089 0.400 1 62 717 10 PHE HZ H 7.322 0.020 1 63 717 10 PHE CZ C 130.015 0.400 1 64 718 11 SER HA H 4.240 0.020 1 65 718 11 SER HB2 H 4.016 0.020 2 66 718 11 SER HB3 H 4.063 0.020 2 67 718 11 SER CA C 61.428 0.400 1 68 718 11 SER CB C 62.737 0.400 1 69 719 12 GLU H H 8.115 0.020 1 70 719 12 GLU HA H 4.340 0.020 1 71 719 12 GLU HB2 H 2.037 0.020 2 72 719 12 GLU HB3 H 2.153 0.020 2 73 719 12 GLU CA C 58.981 0.400 1 74 719 12 GLU CB C 30.172 0.400 1 75 719 12 GLU N N 122.404 0.400 1 76 720 13 TYR H H 8.377 0.020 1 77 720 13 TYR HA H 4.293 0.020 1 78 720 13 TYR HB2 H 2.996 0.020 2 79 720 13 TYR HB3 H 2.907 0.020 2 80 720 13 TYR CA C 61.614 0.400 1 81 720 13 TYR CB C 38.526 0.400 1 82 720 13 TYR N N 118.570 0.400 1 83 721 14 SER H H 8.494 0.020 1 84 721 14 SER N N 115.078 0.400 1 85 722 15 ARG H H 7.886 0.020 1 86 722 15 ARG HA H 4.112 0.020 1 87 722 15 ARG HB2 H 2.037 0.020 2 88 722 15 ARG HB3 H 2.037 0.020 2 89 722 15 ARG CA C 59.757 0.400 1 90 722 15 ARG CB C 30.477 0.400 1 91 722 15 ARG N N 121.567 0.400 1 92 723 16 ILE H H 8.341 0.020 1 93 723 16 ILE HA H 3.723 0.020 1 94 723 16 ILE HB H 2.130 0.020 1 95 723 16 ILE HD1 H 0.896 0.020 1 96 723 16 ILE HG2 H 0.890 0.020 1 97 723 16 ILE CA C 65.645 0.400 1 98 723 16 ILE CB C 32.114 0.400 1 99 723 16 ILE CD1 C 13.673 0.400 1 100 723 16 ILE CG2 C 17.632 0.400 1 101 723 16 ILE N N 118.478 0.400 1 102 724 17 SER H H 8.255 0.020 1 103 724 17 SER N N 113.845 0.400 1 104 725 18 ASN H H 7.857 0.020 1 105 725 18 ASN HA H 4.434 0.020 1 106 725 18 ASN HB2 H 2.818 0.020 2 107 725 18 ASN HB3 H 2.993 0.020 2 108 725 18 ASN CA C 56.923 0.400 1 109 725 18 ASN CB C 38.935 0.400 1 110 725 18 ASN N N 117.652 0.400 1 111 726 19 LEU H H 7.610 0.020 1 112 726 19 LEU HA H 4.288 0.020 1 113 726 19 LEU HB2 H 2.096 0.020 2 114 726 19 LEU HB3 H 2.274 0.020 2 115 726 19 LEU HD1 H 1.145 0.020 2 116 726 19 LEU HD2 H 1.106 0.020 2 117 726 19 LEU CA C 58.577 0.400 1 118 726 19 LEU CB C 42.525 0.400 1 119 726 19 LEU CD1 C 26.061 0.400 1 120 726 19 LEU CD2 C 24.641 0.400 1 121 726 19 LEU N N 118.126 0.400 1 122 727 20 ILE H H 8.258 0.020 1 123 727 20 ILE HA H 3.773 0.020 1 124 727 20 ILE HB H 2.142 0.020 1 125 727 20 ILE HD1 H 0.766 0.020 1 126 727 20 ILE HG2 H 0.903 0.020 1 127 727 20 ILE CA C 65.455 0.400 1 128 727 20 ILE CB C 37.900 0.400 1 129 727 20 ILE CD1 C 14.221 0.400 1 130 727 20 ILE CG2 C 18.413 0.400 1 131 727 20 ILE N N 117.736 0.400 1 132 728 21 VAL H H 8.409 0.020 1 133 728 21 VAL HA H 3.402 0.020 1 134 728 21 VAL HB H 2.167 0.020 1 135 728 21 VAL HG1 H 0.943 0.020 2 136 728 21 VAL HG2 H 0.927 0.020 2 137 728 21 VAL CA C 67.537 0.400 1 138 728 21 VAL CB C 31.726 0.400 1 139 728 21 VAL CG1 C 21.975 0.400 1 140 728 21 VAL CG2 C 24.097 0.400 1 141 728 21 VAL N N 119.556 0.400 1 142 729 22 LEU H H 8.220 0.020 1 143 729 22 LEU HA H 4.032 0.020 1 144 729 22 LEU HB2 H 1.728 0.020 2 145 729 22 LEU HB3 H 1.984 0.020 2 146 729 22 LEU HD1 H 0.973 0.020 2 147 729 22 LEU CA C 58.304 0.400 1 148 729 22 LEU CB C 41.644 0.400 1 149 729 22 LEU CD1 C 24.131 0.400 1 150 729 22 LEU N N 117.511 0.400 1 151 730 23 HIS H H 7.864 0.020 1 152 730 23 HIS HA H 4.199 0.020 1 153 730 23 HIS HB2 H 2.580 0.020 2 154 730 23 HIS HB3 H 2.780 0.020 2 155 730 23 HIS CA C 59.308 0.400 1 156 730 23 HIS CB C 28.652 0.400 1 157 730 23 HIS N N 117.057 0.400 1 158 731 24 LEU H H 8.354 0.020 1 159 731 24 LEU HA H 3.771 0.020 1 160 731 24 LEU HB2 H 1.769 0.020 2 161 731 24 LEU HB3 H 1.769 0.020 2 162 731 24 LEU CA C 57.922 0.400 1 163 731 24 LEU CB C 41.733 0.400 1 164 731 24 LEU N N 117.549 0.400 1 165 732 25 ARG H H 8.385 0.020 1 166 732 25 ARG HA H 4.055 0.020 1 167 732 25 ARG HB2 H 1.721 0.020 2 168 732 25 ARG HB3 H 1.721 0.020 2 169 732 25 ARG HD2 H 3.187 0.020 2 170 732 25 ARG HD3 H 3.187 0.020 2 171 732 25 ARG CA C 59.387 0.400 1 172 732 25 ARG CB C 29.812 0.400 1 173 732 25 ARG CD C 43.630 0.400 1 174 732 25 ARG N N 118.201 0.400 1 175 733 26 LYS H H 7.555 0.020 1 176 733 26 LYS HA H 4.075 0.020 1 177 733 26 LYS HB2 H 1.912 0.020 2 178 733 26 LYS HB3 H 1.912 0.020 2 179 733 26 LYS CA C 59.187 0.400 1 180 733 26 LYS CB C 31.976 0.400 1 181 733 26 LYS N N 120.113 0.400 1 182 734 27 VAL H H 7.879 0.020 1 183 734 27 VAL HA H 3.606 0.020 1 184 734 27 VAL HB H 1.966 0.020 1 185 734 27 VAL HG1 H 0.715 0.020 2 186 734 27 VAL HG2 H 0.549 0.020 2 187 734 27 VAL CA C 65.902 0.400 1 188 734 27 VAL CB C 31.775 0.400 1 189 734 27 VAL CG1 C 22.233 0.400 1 190 734 27 VAL CG2 C 21.990 0.400 1 191 734 27 VAL N N 117.349 0.400 1 192 735 28 GLU H H 7.877 0.020 1 193 735 28 GLU HA H 4.010 0.020 1 194 735 28 GLU HB2 H 2.168 0.020 2 195 735 28 GLU HB3 H 2.168 0.020 2 196 735 28 GLU HG2 H 2.295 0.020 2 197 735 28 GLU HG3 H 2.446 0.020 2 198 735 28 GLU CA C 59.206 0.400 1 199 735 28 GLU CB C 29.933 0.400 1 200 735 28 GLU CG C 36.354 0.400 1 201 735 28 GLU N N 118.505 0.400 1 202 736 29 GLU H H 7.659 0.020 1 203 736 29 GLU HA H 4.188 0.020 1 204 736 29 GLU HB2 H 2.166 0.020 2 205 736 29 GLU HB3 H 2.166 0.020 2 206 736 29 GLU HG2 H 2.476 0.020 2 207 736 29 GLU HG3 H 2.476 0.020 2 208 736 29 GLU CA C 58.100 0.400 1 209 736 29 GLU CB C 30.425 0.400 1 210 736 29 GLU CG C 36.550 0.400 1 211 736 29 GLU N N 116.178 0.400 1 212 737 30 GLU H H 7.901 0.020 1 213 737 30 GLU HA H 4.349 0.020 1 214 737 30 GLU HB2 H 2.155 0.020 2 215 737 30 GLU HB3 H 2.155 0.020 2 216 737 30 GLU CA C 57.185 0.400 1 217 737 30 GLU CB C 30.522 0.400 1 218 737 30 GLU N N 116.782 0.400 1 219 738 31 GLU H H 8.187 0.020 1 220 738 31 GLU HA H 4.354 0.020 1 221 738 31 GLU HB2 H 2.068 0.020 2 222 738 31 GLU HB3 H 2.068 0.020 2 223 738 31 GLU HG2 H 2.287 0.020 2 224 738 31 GLU HG3 H 2.287 0.020 2 225 738 31 GLU CA C 56.673 0.400 1 226 738 31 GLU CB C 30.065 0.400 1 227 738 31 GLU CG C 36.534 0.400 1 228 738 31 GLU N N 117.786 0.400 1 229 739 32 ASP H H 8.263 0.020 1 230 739 32 ASP HA H 4.608 0.020 1 231 739 32 ASP HB2 H 2.643 0.020 2 232 739 32 ASP HB3 H 2.820 0.020 2 233 739 32 ASP CA C 55.003 0.400 1 234 739 32 ASP CB C 40.870 0.400 1 235 739 32 ASP N N 118.476 0.400 1 236 740 33 GLU H H 8.053 0.020 1 237 740 33 GLU HA H 4.300 0.020 1 238 740 33 GLU HB2 H 1.939 0.020 2 239 740 33 GLU HB3 H 2.058 0.020 2 240 740 33 GLU CA C 56.778 0.400 1 241 740 33 GLU CB C 30.122 0.400 1 242 740 33 GLU N N 118.708 0.400 1 243 741 34 SER H H 8.153 0.020 1 244 741 34 SER HA H 4.325 0.020 1 245 741 34 SER HB2 H 3.886 0.020 2 246 741 34 SER HB3 H 3.886 0.020 2 247 741 34 SER CA C 59.287 0.400 1 248 741 34 SER CB C 64.076 0.400 1 249 741 34 SER N N 114.657 0.400 1 250 742 35 ALA H H 7.611 0.020 1 251 742 35 ALA HA H 4.501 0.020 1 252 742 35 ALA HB H 1.262 0.020 1 253 742 35 ALA CA C 52.096 0.400 1 254 742 35 ALA CB C 21.333 0.400 1 255 742 35 ALA N N 121.405 0.400 1 256 744 37 LYS HA H 4.122 0.020 1 257 744 37 LYS CA C 56.389 0.400 1 258 745 38 ARG H H 8.605 0.020 1 259 745 38 ARG HA H 4.370 0.020 1 260 745 38 ARG CA C 61.196 0.400 1 261 745 38 ARG N N 123.585 0.400 1 262 746 39 SER H H 10.216 0.020 1 263 746 39 SER HA H 4.003 0.020 1 264 746 39 SER CA C 61.082 0.400 1 265 746 39 SER N N 113.513 0.400 1 266 747 40 GLU H H 6.961 0.020 1 267 747 40 GLU HA H 4.336 0.020 1 268 747 40 GLU HB2 H 2.221 0.020 2 269 747 40 GLU HB3 H 2.221 0.020 2 270 747 40 GLU CA C 58.421 0.400 1 271 747 40 GLU CB C 30.159 0.400 1 272 747 40 GLU N N 122.552 0.400 1 273 748 41 LEU H H 8.456 0.020 1 274 748 41 LEU HA H 4.443 0.020 1 275 748 41 LEU HB2 H 1.778 0.020 2 276 748 41 LEU HB3 H 1.778 0.020 2 277 748 41 LEU CA C 58.251 0.400 1 278 748 41 LEU CB C 42.229 0.400 1 279 748 41 LEU N N 123.875 0.400 1 280 749 42 VAL H H 8.341 0.020 1 281 749 42 VAL HA H 3.585 0.020 1 282 749 42 VAL HG1 H 1.022 0.020 2 283 749 42 VAL HG2 H 1.089 0.020 2 284 749 42 VAL CA C 67.395 0.400 1 285 749 42 VAL CG1 C 21.864 0.400 1 286 749 42 VAL CG2 C 23.919 0.400 1 287 749 42 VAL N N 118.478 0.400 1 288 750 43 ASN H H 7.974 0.020 1 289 750 43 ASN HA H 4.463 0.020 1 290 750 43 ASN HB2 H 2.970 0.020 2 291 750 43 ASN HB3 H 2.860 0.020 2 292 750 43 ASN CA C 56.459 0.400 1 293 750 43 ASN CB C 38.343 0.400 1 294 750 43 ASN N N 115.335 0.400 1 295 751 44 TRP H H 8.547 0.020 1 296 751 44 TRP HA H 4.125 0.020 1 297 751 44 TRP HB2 H 3.476 0.020 2 298 751 44 TRP HB3 H 3.694 0.020 2 299 751 44 TRP HD1 H 7.196 0.020 1 300 751 44 TRP HE1 H 9.761 0.020 1 301 751 44 TRP HH2 H 6.963 0.020 1 302 751 44 TRP HZ2 H 7.241 0.020 1 303 751 44 TRP CA C 62.008 0.400 1 304 751 44 TRP CB C 27.510 0.400 1 305 751 44 TRP CD1 C 126.969 0.400 1 306 751 44 TRP CH2 C 123.685 0.400 1 307 751 44 TRP CZ2 C 114.466 0.400 1 308 751 44 TRP N N 120.826 0.400 1 309 751 44 TRP NE1 N 129.605 0.400 1 310 752 45 TYR H H 8.230 0.020 1 311 752 45 TYR HA H 4.595 0.020 1 312 752 45 TYR HB2 H 3.115 0.020 2 313 752 45 TYR HB3 H 3.018 0.020 2 314 752 45 TYR CA C 61.762 0.400 1 315 752 45 TYR CB C 38.794 0.400 1 316 752 45 TYR N N 120.317 0.400 1 317 753 46 LEU H H 8.093 0.020 1 318 753 46 LEU HA H 3.719 0.020 1 319 753 46 LEU HD1 H 0.898 0.020 2 320 753 46 LEU HD2 H 0.766 0.020 2 321 753 46 LEU CA C 57.315 0.400 1 322 753 46 LEU CD1 C 26.519 0.400 1 323 753 46 LEU CD2 C 22.733 0.400 1 324 753 46 LEU N N 115.041 0.400 1 325 754 47 LYS H H 7.506 0.020 1 326 754 47 LYS HA H 4.047 0.020 1 327 754 47 LYS HB2 H 1.838 0.020 2 328 754 47 LYS HB3 H 1.838 0.020 2 329 754 47 LYS HG2 H 1.449 0.020 2 330 754 47 LYS HG3 H 1.449 0.020 2 331 754 47 LYS CA C 58.137 0.400 1 332 754 47 LYS CB C 32.007 0.400 1 333 754 47 LYS CG C 24.932 0.400 1 334 754 47 LYS N N 115.061 0.400 1 335 755 48 GLU H H 7.728 0.020 1 336 755 48 GLU HA H 3.848 0.020 1 337 755 48 GLU HB2 H 1.456 0.020 2 338 755 48 GLU HB3 H 1.456 0.020 2 339 755 48 GLU HG2 H 1.560 0.020 2 340 755 48 GLU HG3 H 1.560 0.020 2 341 755 48 GLU CA C 58.143 0.400 1 342 755 48 GLU CB C 29.008 0.400 1 343 755 48 GLU CG C 35.320 0.400 1 344 755 48 GLU N N 120.591 0.400 1 345 756 49 ILE H H 7.076 0.020 1 346 756 49 ILE HA H 4.275 0.020 1 347 756 49 ILE HB H 1.802 0.020 1 348 756 49 ILE HG2 H 0.433 0.020 1 349 756 49 ILE CA C 60.409 0.400 1 350 756 49 ILE CB C 37.080 0.400 1 351 756 49 ILE CG2 C 18.065 0.400 1 352 756 49 ILE N N 110.048 0.400 1 353 757 50 GLU H H 7.064 0.020 1 354 757 50 GLU HA H 4.013 0.020 1 355 757 50 GLU HB2 H 2.136 0.020 2 356 757 50 GLU HB3 H 2.136 0.020 2 357 757 50 GLU CA C 58.957 0.400 1 358 757 50 GLU CB C 29.393 0.400 1 359 757 50 GLU N N 122.242 0.400 1 360 758 51 SER H H 8.244 0.020 1 361 758 51 SER HA H 4.267 0.020 1 362 758 51 SER HB2 H 3.858 0.020 2 363 758 51 SER HB3 H 3.954 0.020 2 364 758 51 SER CA C 60.147 0.400 1 365 758 51 SER CB C 63.137 0.400 1 366 758 51 SER N N 111.806 0.400 1 367 759 52 GLU H H 8.294 0.020 1 368 759 52 GLU HA H 4.380 0.020 1 369 759 52 GLU HB2 H 1.989 0.020 2 370 759 52 GLU HB3 H 1.989 0.020 2 371 759 52 GLU HG2 H 2.212 0.020 2 372 759 52 GLU HG3 H 2.212 0.020 2 373 759 52 GLU CA C 56.167 0.400 1 374 759 52 GLU CB C 30.240 0.400 1 375 759 52 GLU CG C 36.450 0.400 1 376 759 52 GLU N N 119.222 0.400 1 377 760 53 ILE H H 7.521 0.020 1 378 760 53 ILE HA H 4.111 0.020 1 379 760 53 ILE HB H 1.970 0.020 1 380 760 53 ILE HD1 H 0.837 0.020 1 381 760 53 ILE HG2 H 0.908 0.020 1 382 760 53 ILE CA C 61.263 0.400 1 383 760 53 ILE CB C 38.655 0.400 1 384 760 53 ILE CD1 C 14.144 0.400 1 385 760 53 ILE CG2 C 19.946 0.400 1 386 760 53 ILE N N 119.330 0.400 1 387 761 54 ASP H H 8.595 0.020 1 388 761 54 ASP HA H 4.823 0.020 1 389 761 54 ASP HB2 H 2.697 0.020 2 390 761 54 ASP HB3 H 2.771 0.020 2 391 761 54 ASP CA C 54.359 0.400 1 392 761 54 ASP CB C 42.306 0.400 1 393 761 54 ASP N N 123.972 0.400 1 394 762 55 SER H H 7.551 0.020 1 395 762 55 SER HA H 4.776 0.020 1 396 762 55 SER HB2 H 4.259 0.020 2 397 762 55 SER HB3 H 4.035 0.020 2 398 762 55 SER CA C 57.195 0.400 1 399 762 55 SER CB C 65.948 0.400 1 400 762 55 SER N N 111.368 0.400 1 401 763 56 GLU H H 9.019 0.020 1 402 763 56 GLU HA H 4.079 0.020 1 403 763 56 GLU HB2 H 2.110 0.020 2 404 763 56 GLU HB3 H 2.110 0.020 2 405 763 56 GLU CA C 59.547 0.400 1 406 763 56 GLU CB C 29.547 0.400 1 407 763 56 GLU N N 122.920 0.400 1 408 764 57 GLU H H 8.704 0.020 1 409 764 57 GLU HA H 4.022 0.020 1 410 764 57 GLU HB2 H 2.012 0.020 2 411 764 57 GLU HB3 H 2.114 0.020 2 412 764 57 GLU HG2 H 2.362 0.020 2 413 764 57 GLU HG3 H 2.362 0.020 2 414 764 57 GLU CA C 59.950 0.400 1 415 764 57 GLU CB C 29.410 0.400 1 416 764 57 GLU CG C 36.785 0.400 1 417 764 57 GLU N N 118.001 0.400 1 418 765 58 GLU H H 7.863 0.020 1 419 765 58 GLU HA H 4.289 0.020 1 420 765 58 GLU HB2 H 2.121 0.020 2 421 765 58 GLU HB3 H 2.121 0.020 2 422 765 58 GLU HG2 H 2.333 0.020 2 423 765 58 GLU HG3 H 2.450 0.020 2 424 765 58 GLU CA C 58.636 0.400 1 425 765 58 GLU CB C 30.075 0.400 1 426 765 58 GLU CG C 36.732 0.400 1 427 765 58 GLU N N 118.849 0.400 1 428 766 59 LEU H H 7.886 0.020 1 429 766 59 LEU HA H 3.976 0.020 1 430 766 59 LEU HB2 H 1.688 0.020 2 431 766 59 LEU HB3 H 1.688 0.020 2 432 766 59 LEU HD1 H 0.970 0.020 2 433 766 59 LEU HD2 H 0.970 0.020 2 434 766 59 LEU CA C 59.050 0.400 1 435 766 59 LEU CB C 41.601 0.400 1 436 766 59 LEU CD1 C 25.711 0.400 1 437 766 59 LEU N N 121.567 0.400 1 438 767 60 ILE H H 8.076 0.020 1 439 767 60 ILE HA H 3.701 0.020 1 440 767 60 ILE HB H 2.009 0.020 1 441 767 60 ILE HD1 H 0.896 0.020 1 442 767 60 ILE HG2 H 0.939 0.020 1 443 767 60 ILE CA C 64.525 0.400 1 444 767 60 ILE CB C 37.725 0.400 1 445 767 60 ILE CD1 C 13.278 0.400 1 446 767 60 ILE CG2 C 17.763 0.400 1 447 767 60 ILE N N 117.805 0.400 1 448 768 61 ASN H H 7.883 0.020 1 449 768 61 ASN HA H 4.514 0.020 1 450 768 61 ASN HB2 H 2.904 0.020 2 451 768 61 ASN HB3 H 2.994 0.020 2 452 768 61 ASN CA C 56.576 0.400 1 453 768 61 ASN CB C 38.598 0.400 1 454 768 61 ASN N N 117.976 0.400 1 455 769 62 LYS H H 8.592 0.020 1 456 769 62 LYS HA H 4.105 0.020 1 457 769 62 LYS HB2 H 1.762 0.020 2 458 769 62 LYS HB3 H 1.762 0.020 2 459 769 62 LYS HD2 H 1.723 0.020 2 460 769 62 LYS HD3 H 1.723 0.020 2 461 769 62 LYS CA C 58.605 0.400 1 462 769 62 LYS CB C 32.026 0.400 1 463 769 62 LYS CD C 29.059 0.400 1 464 769 62 LYS N N 118.172 0.400 1 465 770 63 LYS H H 8.651 0.020 1 466 770 63 LYS HA H 3.931 0.020 1 467 770 63 LYS HB2 H 2.136 0.020 2 468 770 63 LYS HB3 H 2.136 0.020 2 469 770 63 LYS CA C 60.358 0.400 1 470 770 63 LYS CB C 32.837 0.400 1 471 770 63 LYS N N 120.585 0.400 1 472 771 64 ARG H H 8.059 0.020 1 473 771 64 ARG HA H 4.178 0.020 1 474 771 64 ARG CA C 59.334 0.400 1 475 771 64 ARG N N 116.611 0.400 1 476 772 65 ILE H H 7.921 0.020 1 477 772 65 ILE HA H 3.744 0.020 1 478 772 65 ILE HB H 1.684 0.020 1 479 772 65 ILE HD1 H 0.797 0.020 1 480 772 65 ILE HG2 H 0.643 0.020 1 481 772 65 ILE CA C 65.258 0.400 1 482 772 65 ILE CB C 37.850 0.400 1 483 772 65 ILE CD1 C 14.577 0.400 1 484 772 65 ILE CG2 C 18.652 0.400 1 485 772 65 ILE N N 118.775 0.400 1 486 773 66 ILE H H 8.341 0.020 1 487 773 66 ILE HA H 3.901 0.020 1 488 773 66 ILE HB H 1.762 0.020 1 489 773 66 ILE HD1 H 0.412 0.020 1 490 773 66 ILE HG2 H 1.206 0.020 1 491 773 66 ILE CA C 62.723 0.400 1 492 773 66 ILE CB C 37.267 0.400 1 493 773 66 ILE CD1 C 14.411 0.400 1 494 773 66 ILE CG2 C 20.707 0.400 1 495 773 66 ILE N N 118.478 0.400 1 496 774 67 GLU H H 8.360 0.020 1 497 774 67 GLU HA H 3.875 0.020 1 498 774 67 GLU HB2 H 2.146 0.020 2 499 774 67 GLU HB3 H 2.146 0.020 2 500 774 67 GLU CA C 60.748 0.400 1 501 774 67 GLU CB C 29.448 0.400 1 502 774 67 GLU N N 120.865 0.400 1 503 775 68 LYS H H 8.057 0.020 1 504 775 68 LYS HA H 4.256 0.020 1 505 775 68 LYS HB2 H 2.154 0.020 2 506 775 68 LYS HB3 H 2.154 0.020 2 507 775 68 LYS CA C 59.631 0.400 1 508 775 68 LYS CB C 32.296 0.400 1 509 775 68 LYS N N 121.132 0.400 1 510 776 69 VAL H H 8.594 0.020 1 511 776 69 VAL HA H 3.735 0.020 1 512 776 69 VAL HG1 H 0.841 0.020 2 513 776 69 VAL HG2 H 1.164 0.020 2 514 776 69 VAL CA C 67.502 0.400 1 515 776 69 VAL CG1 C 21.576 0.400 1 516 776 69 VAL CG2 C 24.435 0.400 1 517 776 69 VAL N N 121.358 0.400 1 518 777 70 ILE HA H 3.493 0.020 1 519 777 70 ILE HD1 H 0.791 0.020 1 520 777 70 ILE CA C 66.150 0.400 1 521 777 70 ILE CD1 C 15.810 0.400 1 522 778 71 HIS H H 8.372 0.020 1 523 778 71 HIS HA H 4.434 0.020 1 524 778 71 HIS HB2 H 3.359 0.020 2 525 778 71 HIS HB3 H 3.469 0.020 2 526 778 71 HIS HD2 H 7.111 0.020 1 527 778 71 HIS HE1 H 7.709 0.020 1 528 778 71 HIS CA C 61.126 0.400 1 529 778 71 HIS CB C 30.587 0.400 1 530 778 71 HIS CD2 C 119.624 0.400 1 531 778 71 HIS CE1 C 138.389 0.400 1 532 778 71 HIS N N 121.155 0.400 1 533 779 72 ARG H H 8.426 0.020 1 534 779 72 ARG HA H 4.141 0.020 1 535 779 72 ARG HB2 H 2.096 0.020 2 536 779 72 ARG HB3 H 2.096 0.020 2 537 779 72 ARG CA C 60.100 0.400 1 538 779 72 ARG CB C 30.298 0.400 1 539 779 72 ARG N N 120.709 0.400 1 540 780 73 LEU H H 9.153 0.020 1 541 780 73 LEU HA H 4.288 0.020 1 542 780 73 LEU HB2 H 2.091 0.020 2 543 780 73 LEU HB3 H 2.091 0.020 2 544 780 73 LEU HD1 H 0.864 0.020 2 545 780 73 LEU HD2 H 0.728 0.020 2 546 780 73 LEU CA C 57.960 0.400 1 547 780 73 LEU CB C 43.583 0.400 1 548 780 73 LEU CD1 C 23.122 0.400 1 549 780 73 LEU CD2 C 26.702 0.400 1 550 780 73 LEU N N 120.335 0.400 1 551 781 74 THR H H 7.887 0.020 1 552 781 74 THR HA H 4.476 0.020 1 553 781 74 THR HG2 H 0.683 0.020 1 554 781 74 THR CA C 64.323 0.400 1 555 781 74 THR CB C 69.796 0.400 1 556 781 74 THR CG2 C 21.325 0.400 1 557 781 74 THR N N 112.289 0.400 1 558 782 75 HIS H H 8.363 0.020 1 559 782 75 HIS HA H 4.399 0.020 1 560 782 75 HIS HB2 H 2.429 0.020 2 561 782 75 HIS HB3 H 2.952 0.020 2 562 782 75 HIS HD2 H 7.230 0.020 1 563 782 75 HIS HE1 H 8.041 0.020 1 564 782 75 HIS CA C 58.384 0.400 1 565 782 75 HIS CB C 30.484 0.400 1 566 782 75 HIS CD2 C 120.011 0.400 1 567 782 75 HIS CE1 C 136.912 0.400 1 568 782 75 HIS N N 115.654 0.400 1 569 783 76 TYR HA H 4.725 0.020 1 570 783 76 TYR HB2 H 3.208 0.020 2 571 783 76 TYR HB3 H 3.103 0.020 2 572 783 76 TYR CA C 59.155 0.400 1 573 783 76 TYR CB C 39.218 0.400 1 574 784 77 ASP H H 8.233 0.020 1 575 784 77 ASP HA H 4.686 0.020 1 576 784 77 ASP HB2 H 3.089 0.020 2 577 784 77 ASP HB3 H 3.089 0.020 2 578 784 77 ASP CA C 55.846 0.400 1 579 784 77 ASP CB C 42.154 0.400 1 580 784 77 ASP N N 115.629 0.400 1 581 785 78 HIS H H 6.706 0.020 1 582 785 78 HIS HA H 4.507 0.020 1 583 785 78 HIS HB2 H 3.396 0.020 2 584 785 78 HIS HB3 H 3.459 0.020 2 585 785 78 HIS HD2 H 7.200 0.020 1 586 785 78 HIS HE1 H 8.513 0.020 1 587 785 78 HIS CA C 56.966 0.400 1 588 785 78 HIS CB C 26.129 0.400 1 589 785 78 HIS CD2 C 119.923 0.400 1 590 785 78 HIS CE1 C 136.126 0.400 1 591 785 78 HIS N N 109.441 0.400 1 592 786 79 VAL H H 8.199 0.020 1 593 786 79 VAL HA H 3.601 0.020 1 594 786 79 VAL HB H 2.087 0.020 1 595 786 79 VAL HG1 H 0.464 0.020 2 596 786 79 VAL HG2 H 0.691 0.020 2 597 786 79 VAL CA C 64.878 0.400 1 598 786 79 VAL CB C 33.854 0.400 1 599 786 79 VAL CG1 C 21.402 0.400 1 600 786 79 VAL CG2 C 23.434 0.400 1 601 786 79 VAL N N 118.767 0.400 1 602 787 80 LEU H H 6.977 0.020 1 603 787 80 LEU HA H 5.165 0.020 1 604 787 80 LEU HB2 H 1.664 0.020 2 605 787 80 LEU HB3 H 1.664 0.020 2 606 787 80 LEU CA C 51.953 0.400 1 607 787 80 LEU CB C 43.851 0.400 1 608 787 80 LEU N N 114.413 0.400 1 609 788 81 ILE H H 9.010 0.020 1 610 788 81 ILE HA H 4.272 0.020 1 611 788 81 ILE HD1 H 0.806 0.020 1 612 788 81 ILE HG2 H 0.821 0.020 1 613 788 81 ILE CA C 59.708 0.400 1 614 788 81 ILE CD1 C 14.062 0.400 1 615 788 81 ILE CG2 C 17.785 0.400 1 616 788 81 ILE N N 117.795 0.400 1 617 789 82 GLU H H 8.236 0.020 1 618 789 82 GLU HA H 5.032 0.020 1 619 789 82 GLU HB2 H 1.845 0.020 2 620 789 82 GLU HB3 H 2.068 0.020 2 621 789 82 GLU CA C 54.850 0.400 1 622 789 82 GLU CB C 30.931 0.400 1 623 789 82 GLU N N 121.674 0.400 1 624 790 83 LEU H H 9.036 0.020 1 625 790 83 LEU HA H 4.701 0.020 1 626 790 83 LEU HB2 H 1.626 0.020 2 627 790 83 LEU HB3 H 1.626 0.020 2 628 790 83 LEU CA C 54.367 0.400 1 629 790 83 LEU CB C 43.603 0.400 1 630 790 83 LEU N N 124.890 0.400 1 631 791 84 THR H H 8.255 0.020 1 632 791 84 THR HA H 4.556 0.020 1 633 791 84 THR HB H 4.422 0.020 1 634 791 84 THR HG2 H 1.286 0.020 1 635 791 84 THR CA C 61.399 0.400 1 636 791 84 THR CB C 70.355 0.400 1 637 791 84 THR CG2 C 22.447 0.400 1 638 791 84 THR N N 113.845 0.400 1 639 792 85 GLN H H 8.626 0.020 1 640 792 85 GLN HA H 4.250 0.020 1 641 792 85 GLN HB2 H 2.049 0.020 2 642 792 85 GLN HB3 H 2.148 0.020 2 643 792 85 GLN HG2 H 2.354 0.020 2 644 792 85 GLN HG3 H 2.354 0.020 2 645 792 85 GLN CA C 56.846 0.400 1 646 792 85 GLN CB C 29.566 0.400 1 647 792 85 GLN CG C 34.004 0.400 1 648 792 85 GLN N N 120.872 0.400 1 649 793 86 ALA H H 8.243 0.020 1 650 793 86 ALA HA H 4.242 0.020 1 651 793 86 ALA HB H 1.348 0.020 1 652 793 86 ALA CA C 53.229 0.400 1 653 793 86 ALA CB C 19.646 0.400 1 654 793 86 ALA N N 122.823 0.400 1 655 794 87 GLY H H 8.197 0.020 1 656 794 87 GLY HA2 H 3.946 0.020 2 657 794 87 GLY HA3 H 3.946 0.020 2 658 794 87 GLY CA C 45.693 0.400 1 659 794 87 GLY N N 106.797 0.400 1 660 795 88 LEU H H 7.938 0.020 1 661 795 88 LEU HA H 4.336 0.020 1 662 795 88 LEU HB2 H 1.598 0.020 2 663 795 88 LEU HB3 H 1.598 0.020 2 664 795 88 LEU HD1 H 0.820 0.020 2 665 795 88 LEU HD2 H 0.800 0.020 2 666 795 88 LEU HG H 1.558 0.020 1 667 795 88 LEU CA C 55.589 0.400 1 668 795 88 LEU CB C 42.484 0.400 1 669 795 88 LEU CD1 C 25.543 0.400 1 670 795 88 LEU CD2 C 24.195 0.400 1 671 795 88 LEU CG C 26.949 0.400 1 672 795 88 LEU N N 120.790 0.400 1 673 796 89 LYS H H 8.239 0.020 1 674 796 89 LYS HA H 4.332 0.020 1 675 796 89 LYS HB2 H 1.824 0.020 2 676 796 89 LYS HB3 H 1.903 0.020 2 677 796 89 LYS HD2 H 1.694 0.020 2 678 796 89 LYS HD3 H 1.694 0.020 2 679 796 89 LYS HG2 H 1.446 0.020 2 680 796 89 LYS HG3 H 1.446 0.020 2 681 796 89 LYS CA C 56.653 0.400 1 682 796 89 LYS CB C 32.891 0.400 1 683 796 89 LYS CD C 29.172 0.400 1 684 796 89 LYS CG C 24.987 0.400 1 685 796 89 LYS N N 119.846 0.400 1 686 797 90 GLY H H 8.286 0.020 1 687 797 90 GLY HA2 H 4.030 0.020 2 688 797 90 GLY HA3 H 4.030 0.020 2 689 797 90 GLY CA C 45.580 0.400 1 690 797 90 GLY N N 109.005 0.400 1 691 798 91 SER HA H 4.598 0.020 1 692 798 91 SER HB2 H 3.923 0.020 2 693 798 91 SER HB3 H 3.923 0.020 2 694 798 91 SER CA C 58.289 0.400 1 695 798 91 SER CB C 64.031 0.400 1 696 799 92 THR H H 8.249 0.020 1 697 799 92 THR HA H 4.439 0.020 1 698 799 92 THR HB H 4.351 0.020 1 699 799 92 THR HG2 H 1.238 0.020 1 700 799 92 THR CA C 61.975 0.400 1 701 799 92 THR CB C 69.762 0.400 1 702 799 92 THR CG2 C 22.301 0.400 1 703 799 92 THR N N 114.649 0.400 1 704 800 93 GLU H H 8.405 0.020 1 705 800 93 GLU HA H 4.332 0.020 1 706 800 93 GLU HB2 H 1.994 0.020 2 707 800 93 GLU HB3 H 2.108 0.020 2 708 800 93 GLU HG2 H 2.303 0.020 2 709 800 93 GLU HG3 H 2.303 0.020 2 710 800 93 GLU CA C 57.028 0.400 1 711 800 93 GLU CB C 30.313 0.400 1 712 800 93 GLU CG C 36.374 0.400 1 713 800 93 GLU N N 122.313 0.400 1 714 801 94 GLY H H 8.444 0.020 1 715 801 94 GLY HA2 H 4.033 0.020 2 716 801 94 GLY HA3 H 4.033 0.020 2 717 801 94 GLY CA C 45.595 0.400 1 718 801 94 GLY N N 109.638 0.400 1 719 802 95 SER H H 8.153 0.020 1 720 802 95 SER HA H 4.495 0.020 1 721 802 95 SER HB2 H 3.897 0.020 2 722 802 95 SER HB3 H 3.897 0.020 2 723 802 95 SER CA C 58.572 0.400 1 724 802 95 SER CB C 63.997 0.400 1 725 802 95 SER N N 114.657 0.400 1 726 803 96 GLU H H 8.560 0.020 1 727 803 96 GLU HA H 4.364 0.020 1 728 803 96 GLU HB2 H 1.969 0.020 2 729 803 96 GLU HB3 H 2.075 0.020 2 730 803 96 GLU HG2 H 2.289 0.020 2 731 803 96 GLU HG3 H 2.289 0.020 2 732 803 96 GLU CA C 57.011 0.400 1 733 803 96 GLU CB C 30.183 0.400 1 734 803 96 GLU CG C 36.424 0.400 1 735 803 96 GLU N N 121.768 0.400 1 736 804 97 SER H H 8.191 0.020 1 737 804 97 SER HA H 4.483 0.020 1 738 804 97 SER HB2 H 3.849 0.020 2 739 804 97 SER HB3 H 3.849 0.020 2 740 804 97 SER CA C 58.472 0.400 1 741 804 97 SER CB C 63.958 0.400 1 742 804 97 SER N N 115.160 0.400 1 743 805 98 TYR H H 8.167 0.020 1 744 805 98 TYR HA H 4.582 0.020 1 745 805 98 TYR HB2 H 3.036 0.020 2 746 805 98 TYR HB3 H 3.111 0.020 2 747 805 98 TYR CA C 58.226 0.400 1 748 805 98 TYR CB C 38.891 0.400 1 749 805 98 TYR N N 121.885 0.400 1 750 806 99 GLU H H 8.208 0.020 1 751 806 99 GLU HA H 4.212 0.020 1 752 806 99 GLU HB2 H 1.918 0.020 2 753 806 99 GLU HB3 H 2.016 0.020 2 754 806 99 GLU HG2 H 2.244 0.020 2 755 806 99 GLU HG3 H 2.244 0.020 2 756 806 99 GLU CA C 56.638 0.400 1 757 806 99 GLU CB C 30.566 0.400 1 758 806 99 GLU CG C 36.447 0.400 1 759 806 99 GLU N N 121.193 0.400 1 760 807 100 GLU H H 8.203 0.020 1 761 807 100 GLU HA H 4.167 0.020 1 762 807 100 GLU HB2 H 2.016 0.020 2 763 807 100 GLU HB3 H 2.092 0.020 2 764 807 100 GLU HG2 H 2.285 0.020 2 765 807 100 GLU HG3 H 2.285 0.020 2 766 807 100 GLU CA C 57.330 0.400 1 767 807 100 GLU CB C 30.352 0.400 1 768 807 100 GLU CG C 36.475 0.400 1 769 807 100 GLU N N 120.746 0.400 1 770 808 101 ASP H H 8.194 0.020 1 771 808 101 ASP HA H 5.111 0.020 1 772 808 101 ASP HB2 H 2.411 0.020 2 773 808 101 ASP HB3 H 2.847 0.020 2 774 808 101 ASP CA C 51.730 0.400 1 775 808 101 ASP CB C 40.419 0.400 1 776 808 101 ASP N N 119.294 0.400 1 777 809 102 PRO HA H 4.464 0.020 1 778 809 102 PRO HB2 H 2.185 0.020 2 779 809 102 PRO HB3 H 2.185 0.020 2 780 809 102 PRO CA C 62.868 0.400 1 781 809 102 PRO CB C 32.475 0.400 1 782 810 103 TYR H H 8.214 0.020 1 783 810 103 TYR HA H 4.454 0.020 1 784 810 103 TYR HB2 H 2.653 0.020 2 785 810 103 TYR HB3 H 2.874 0.020 2 786 810 103 TYR CA C 59.045 0.400 1 787 810 103 TYR CB C 39.683 0.400 1 788 810 103 TYR N N 116.105 0.400 1 789 811 104 LEU H H 8.594 0.020 1 790 811 104 LEU HA H 5.462 0.020 1 791 811 104 LEU HB2 H 1.627 0.020 2 792 811 104 LEU HB3 H 1.627 0.020 2 793 811 104 LEU CA C 53.489 0.400 1 794 811 104 LEU CB C 45.876 0.400 1 795 811 104 LEU N N 121.358 0.400 1 796 812 105 VAL H H 8.209 0.020 1 797 812 105 VAL HA H 4.733 0.020 1 798 812 105 VAL HB H 2.263 0.020 1 799 812 105 VAL HG1 H 0.718 0.020 2 800 812 105 VAL HG2 H 0.938 0.020 2 801 812 105 VAL CA C 58.605 0.400 1 802 812 105 VAL CB C 36.111 0.400 1 803 812 105 VAL CG1 C 19.614 0.400 1 804 812 105 VAL CG2 C 23.115 0.400 1 805 812 105 VAL N N 109.428 0.400 1 806 813 106 VAL H H 8.769 0.020 1 807 813 106 VAL HA H 4.152 0.020 1 808 813 106 VAL HB H 1.978 0.020 1 809 813 106 VAL HG1 H 1.005 0.020 2 810 813 106 VAL HG2 H 1.061 0.020 2 811 813 106 VAL CA C 62.909 0.400 1 812 813 106 VAL CB C 32.103 0.400 1 813 813 106 VAL CG1 C 24.612 0.400 1 814 813 106 VAL CG2 C 22.488 0.400 1 815 813 106 VAL N N 120.456 0.400 1 816 814 107 ASN H H 8.891 0.020 1 817 814 107 ASN HA H 4.145 0.020 1 818 814 107 ASN HB2 H 3.171 0.020 2 819 814 107 ASN HB3 H 2.600 0.020 2 820 814 107 ASN CA C 51.289 0.400 1 821 814 107 ASN CB C 39.264 0.400 1 822 814 107 ASN N N 125.763 0.400 1 823 815 108 PRO HA H 4.461 0.020 1 824 815 108 PRO HB2 H 2.017 0.020 2 825 815 108 PRO HB3 H 2.406 0.020 2 826 815 108 PRO CA C 64.380 0.400 1 827 815 108 PRO CB C 32.349 0.400 1 828 816 109 ASN H H 8.099 0.020 1 829 816 109 ASN HA H 4.703 0.020 1 830 816 109 ASN HB2 H 2.624 0.020 2 831 816 109 ASN HB3 H 2.865 0.020 2 832 816 109 ASN CA C 53.549 0.400 1 833 816 109 ASN CB C 38.945 0.400 1 834 816 109 ASN N N 113.817 0.400 1 835 817 110 TYR H H 7.816 0.020 1 836 817 110 TYR HA H 4.442 0.020 1 837 817 110 TYR HB2 H 3.056 0.020 2 838 817 110 TYR HB3 H 3.152 0.020 2 839 817 110 TYR CA C 59.070 0.400 1 840 817 110 TYR CB C 39.129 0.400 1 841 817 110 TYR N N 120.291 0.400 1 842 818 111 LEU H H 7.699 0.020 1 843 818 111 LEU HA H 4.214 0.020 1 844 818 111 LEU HB2 H 1.479 0.020 2 845 818 111 LEU HB3 H 1.553 0.020 2 846 818 111 LEU HD1 H 0.846 0.020 2 847 818 111 LEU HD2 H 0.772 0.020 2 848 818 111 LEU CA C 54.756 0.400 1 849 818 111 LEU CB C 42.517 0.400 1 850 818 111 LEU CD1 C 25.647 0.400 1 851 818 111 LEU CD2 C 24.130 0.400 1 852 818 111 LEU N N 124.140 0.400 1 853 819 112 LEU H H 7.831 0.020 1 854 819 112 LEU HA H 4.307 0.020 1 855 819 112 LEU HB2 H 1.599 0.020 2 856 819 112 LEU HB3 H 1.599 0.020 2 857 819 112 LEU CA C 55.142 0.400 1 858 819 112 LEU CB C 42.574 0.400 1 859 819 112 LEU N N 121.830 0.400 1 860 820 113 GLU H H 8.182 0.020 1 861 820 113 GLU HA H 4.342 0.020 1 862 820 113 GLU HB2 H 1.905 0.020 2 863 820 113 GLU HB3 H 2.091 0.020 2 864 820 113 GLU HG2 H 2.240 0.020 2 865 820 113 GLU HG3 H 2.240 0.020 2 866 820 113 GLU CA C 56.310 0.400 1 867 820 113 GLU CB C 30.930 0.400 1 868 820 113 GLU CG C 36.459 0.400 1 869 820 113 GLU N N 121.586 0.400 1 870 821 114 ASP H H 7.926 0.020 1 871 821 114 ASP HA H 4.392 0.020 1 872 821 114 ASP HB2 H 2.656 0.020 2 873 821 114 ASP HB3 H 2.568 0.020 2 874 821 114 ASP CA C 55.988 0.400 1 875 821 114 ASP CB C 42.524 0.400 1 876 821 114 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' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $15N_sample $13C_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MBD _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 1 411 1 SER H H 8.228 0.020 1 2 411 1 SER N N 116.503 0.400 1 3 412 2 PRO HG2 H 2.093 0.020 2 4 412 2 PRO HG3 H 2.093 0.020 2 5 412 2 PRO CG C 27.110 0.400 1 6 413 3 SER HB2 H 3.914 0.020 2 7 413 3 SER HB3 H 3.914 0.020 2 8 413 3 SER CB C 63.908 0.400 1 9 414 4 ALA HA H 4.436 0.020 1 10 414 4 ALA HB H 1.433 0.020 1 11 414 4 ALA CA C 52.280 0.400 1 12 414 4 ALA CB C 19.434 0.400 1 13 415 5 LEU H H 7.977 0.020 1 14 415 5 LEU HA H 4.404 0.020 1 15 415 5 LEU HB2 H 1.689 0.020 2 16 415 5 LEU HB3 H 1.689 0.020 2 17 415 5 LEU HD1 H 0.935 0.020 2 18 415 5 LEU HD2 H 0.974 0.020 2 19 415 5 LEU HG H 1.726 0.020 1 20 415 5 LEU CA C 55.145 0.400 1 21 415 5 LEU CB C 42.419 0.400 1 22 415 5 LEU CD1 C 23.405 0.400 1 23 415 5 LEU CD2 C 25.456 0.400 1 24 415 5 LEU CG C 26.972 0.400 1 25 415 5 LEU N N 119.855 0.400 1 26 416 6 LYS H H 8.108 0.020 1 27 416 6 LYS HA H 4.300 0.020 1 28 416 6 LYS HB2 H 1.874 0.020 2 29 416 6 LYS HB3 H 1.874 0.020 2 30 416 6 LYS HD2 H 1.744 0.020 2 31 416 6 LYS HD3 H 1.744 0.020 2 32 416 6 LYS CA C 55.957 0.400 1 33 416 6 LYS CB C 33.012 0.400 1 34 416 6 LYS CD C 24.737 0.400 1 35 416 6 LYS N N 121.532 0.400 1 36 417 7 GLY HA2 H 4.040 0.020 2 37 417 7 GLY HA3 H 4.040 0.020 2 38 417 7 GLY CA C 45.329 0.400 1 39 418 8 VAL H H 7.778 0.020 1 40 418 8 VAL HA H 4.252 0.020 1 41 418 8 VAL HB H 2.115 0.020 1 42 418 8 VAL HG1 H 1.004 0.020 2 43 418 8 VAL HG2 H 0.977 0.020 2 44 418 8 VAL CA C 62.017 0.400 1 45 418 8 VAL CB C 33.159 0.400 1 46 418 8 VAL CG1 C 21.294 0.400 1 47 418 8 VAL CG2 C 20.380 0.400 1 48 418 8 VAL N N 120.515 0.400 1 49 419 9 SER HA H 4.497 0.020 1 50 419 9 SER HB2 H 3.914 0.020 2 51 419 9 SER HB3 H 3.914 0.020 2 52 419 9 SER CA C 58.269 0.400 1 53 419 9 SER CB C 63.908 0.400 1 54 420 10 GLN HA H 4.237 0.020 1 55 420 10 GLN HB2 H 2.158 0.020 2 56 420 10 GLN HB3 H 2.158 0.020 2 57 420 10 GLN HE21 H 6.842 0.020 2 58 420 10 GLN HE22 H 7.475 0.020 2 59 420 10 GLN HG2 H 2.463 0.020 2 60 420 10 GLN HG3 H 2.463 0.020 2 61 420 10 GLN CA C 57.448 0.400 1 62 420 10 GLN CB C 28.866 0.400 1 63 420 10 GLN CG C 33.093 0.400 1 64 420 10 GLN NE2 N 111.904 0.400 1 65 421 11 ASP H H 8.416 0.020 1 66 421 11 ASP HA H 4.598 0.020 1 67 421 11 ASP HB2 H 2.735 0.020 2 68 421 11 ASP HB3 H 2.735 0.020 2 69 421 11 ASP CA C 55.747 0.400 1 70 421 11 ASP CB C 41.037 0.400 1 71 421 11 ASP N N 118.272 0.400 1 72 422 12 LEU HA H 4.362 0.020 1 73 422 12 LEU HB2 H 1.730 0.020 2 74 422 12 LEU HB3 H 1.730 0.020 2 75 422 12 LEU HD1 H 0.986 0.020 2 76 422 12 LEU HD2 H 0.936 0.020 2 77 422 12 LEU CA C 56.354 0.400 1 78 422 12 LEU CB C 42.435 0.400 1 79 422 12 LEU CD1 C 24.967 0.400 1 80 422 12 LEU CD2 C 23.675 0.400 1 81 423 13 LEU HA H 4.156 0.020 1 82 423 13 LEU HB2 H 1.805 0.020 2 83 423 13 LEU HB3 H 1.805 0.020 2 84 423 13 LEU HD1 H 0.942 0.020 2 85 423 13 LEU HD2 H 0.909 0.020 2 86 423 13 LEU HG H 1.726 0.020 1 87 423 13 LEU CA C 57.173 0.400 1 88 423 13 LEU CB C 41.855 0.400 1 89 423 13 LEU CD1 C 24.054 0.400 1 90 423 13 LEU CD2 C 24.454 0.400 1 91 423 13 LEU CG C 26.972 0.400 1 92 424 14 GLU H H 8.264 0.020 1 93 424 14 GLU HA H 4.053 0.020 1 94 424 14 GLU HB2 H 2.146 0.020 2 95 424 14 GLU HB3 H 2.146 0.020 2 96 424 14 GLU HG2 H 2.483 0.020 2 97 424 14 GLU HG3 H 2.483 0.020 2 98 424 14 GLU CA C 55.391 0.400 1 99 424 14 GLU CB C 30.078 0.400 1 100 424 14 GLU CG C 36.550 0.400 1 101 424 14 GLU N N 117.681 0.400 1 102 425 15 ARG H H 7.918 0.020 1 103 425 15 ARG HA H 4.186 0.020 1 104 425 15 ARG HB2 H 1.980 0.020 2 105 425 15 ARG HB3 H 1.980 0.020 2 106 425 15 ARG HD2 H 3.253 0.020 2 107 425 15 ARG HD3 H 3.253 0.020 2 108 425 15 ARG HG2 H 1.819 0.020 2 109 425 15 ARG HG3 H 1.706 0.020 2 110 425 15 ARG CB C 30.552 0.400 1 111 425 15 ARG CD C 43.443 0.400 1 112 425 15 ARG CG C 27.504 0.400 1 113 425 15 ARG N N 120.251 0.400 1 114 426 16 ILE HA H 3.895 0.020 1 115 426 16 ILE HD1 H 0.902 0.020 1 116 426 16 ILE HG12 H 1.249 0.020 2 117 426 16 ILE HG13 H 1.249 0.020 2 118 426 16 ILE HG2 H 0.955 0.020 1 119 426 16 ILE CA C 63.381 0.400 1 120 426 16 ILE CB C 38.571 0.400 1 121 426 16 ILE CD1 C 12.955 0.400 1 122 426 16 ILE CG1 C 27.471 0.400 1 123 426 16 ILE CG2 C 17.567 0.400 1 124 427 17 ARG HB2 H 1.920 0.020 2 125 427 17 ARG HB3 H 1.920 0.020 2 126 427 17 ARG HD2 H 3.246 0.020 2 127 427 17 ARG HD3 H 3.246 0.020 2 128 427 17 ARG HG2 H 1.806 0.020 2 129 427 17 ARG HG3 H 1.707 0.020 2 130 427 17 ARG CB C 30.505 0.400 1 131 427 17 ARG CD C 42.417 0.400 1 132 427 17 ARG CG C 27.457 0.400 1 133 428 18 ALA H H 8.040 0.020 1 134 428 18 ALA HA H 4.173 0.020 1 135 428 18 ALA HB H 1.553 0.020 1 136 428 18 ALA CA C 53.793 0.400 1 137 428 18 ALA CB C 18.261 0.400 1 138 428 18 ALA N N 122.153 0.400 1 139 429 19 LYS H H 7.901 0.020 1 140 429 19 LYS HA H 4.180 0.020 1 141 429 19 LYS HB2 H 1.930 0.020 2 142 429 19 LYS HB3 H 1.930 0.020 2 143 429 19 LYS HG2 H 1.530 0.020 2 144 429 19 LYS HG3 H 1.530 0.020 2 145 429 19 LYS CA C 58.081 0.400 1 146 429 19 LYS CB C 32.859 0.400 1 147 429 19 LYS CG C 24.882 0.400 1 148 429 19 LYS N N 119.829 0.400 1 149 430 20 GLU H H 8.258 0.020 1 150 430 20 GLU HA H 4.195 0.020 1 151 430 20 GLU HB2 H 2.158 0.020 2 152 430 20 GLU HB3 H 2.158 0.020 2 153 430 20 GLU HG2 H 2.373 0.020 2 154 430 20 GLU HG3 H 2.373 0.020 2 155 430 20 GLU CA C 57.893 0.400 1 156 430 20 GLU CB C 30.078 0.400 1 157 430 20 GLU CG C 36.518 0.400 1 158 430 20 GLU N N 120.670 0.400 1 159 431 21 ALA H H 8.034 0.020 1 160 431 21 ALA HA H 4.173 0.020 1 161 431 21 ALA HB H 1.529 0.020 1 162 431 21 ALA CA C 53.793 0.400 1 163 431 21 ALA CB C 18.692 0.400 1 164 431 21 ALA N N 122.769 0.400 1 165 432 22 GLN H H 7.957 0.020 1 166 432 22 GLN HA H 4.203 0.020 1 167 432 22 GLN HB2 H 2.211 0.020 2 168 432 22 GLN HB3 H 2.211 0.020 2 169 432 22 GLN HE21 H 6.778 0.020 2 170 432 22 GLN HE22 H 7.684 0.020 2 171 432 22 GLN HG2 H 2.540 0.020 2 172 432 22 GLN HG3 H 2.540 0.020 2 173 432 22 GLN CA C 57.293 0.400 1 174 432 22 GLN CG C 34.008 0.400 1 175 432 22 GLN N N 117.541 0.400 1 176 432 22 GLN NE2 N 112.320 0.400 1 177 433 23 LYS H H 7.973 0.020 1 178 433 23 LYS HA H 4.242 0.020 1 179 433 23 LYS HB2 H 1.925 0.020 2 180 433 23 LYS HB3 H 1.925 0.020 2 181 433 23 LYS HD2 H 1.772 0.020 2 182 433 23 LYS HD3 H 1.772 0.020 2 183 433 23 LYS HE2 H 3.049 0.020 2 184 433 23 LYS HE3 H 3.049 0.020 2 185 433 23 LYS CA C 57.378 0.400 1 186 433 23 LYS CB C 32.897 0.400 1 187 433 23 LYS CD C 29.122 0.400 1 188 433 23 LYS CE C 42.023 0.400 1 189 433 23 LYS N N 120.530 0.400 1 190 434 24 GLN H H 8.055 0.020 1 191 434 24 GLN HA H 4.287 0.020 1 192 434 24 GLN HB2 H 2.190 0.020 2 193 434 24 GLN HB3 H 2.190 0.020 2 194 434 24 GLN HE21 H 6.847 0.020 2 195 434 24 GLN HE22 H 7.475 0.020 2 196 434 24 GLN HG2 H 2.498 0.020 2 197 434 24 GLN HG3 H 2.498 0.020 2 198 434 24 GLN CA C 57.039 0.400 1 199 434 24 GLN CB C 29.245 0.400 1 200 434 24 GLN CG C 33.628 0.400 1 201 434 24 GLN N N 119.041 0.400 1 202 434 24 GLN NE2 N 111.950 0.400 1 203 435 25 LEU H H 7.975 0.020 1 204 435 25 LEU HA H 4.286 0.020 1 205 435 25 LEU HB2 H 1.759 0.020 2 206 435 25 LEU HB3 H 1.759 0.020 2 207 435 25 LEU HD1 H 0.935 0.020 2 208 435 25 LEU HD2 H 0.992 0.020 2 209 435 25 LEU CD1 C 23.405 0.400 1 210 435 25 LEU CD2 C 25.149 0.400 1 211 435 25 LEU N N 121.434 0.400 1 212 436 26 ALA HA H 4.309 0.020 1 213 436 26 ALA HB H 1.500 0.020 1 214 436 26 ALA CA C 53.302 0.400 1 215 436 26 ALA CB C 18.876 0.400 1 216 437 27 GLN H H 8.013 0.020 1 217 437 27 GLN HA H 4.390 0.020 1 218 437 27 GLN HB2 H 2.099 0.020 2 219 437 27 GLN HB3 H 2.099 0.020 2 220 437 27 GLN HG2 H 2.470 0.020 2 221 437 27 GLN HG3 H 2.470 0.020 2 222 437 27 GLN CA C 55.867 0.400 1 223 437 27 GLN CB C 29.241 0.400 1 224 437 27 GLN CG C 33.866 0.400 1 225 437 27 GLN N N 117.507 0.400 1 226 438 28 MET H H 8.091 0.020 1 227 438 28 MET HA H 4.491 0.020 1 228 438 28 MET HB2 H 2.105 0.020 2 229 438 28 MET HB3 H 2.105 0.020 2 230 438 28 MET HE H 2.133 0.020 1 231 438 28 MET HG2 H 2.609 0.020 2 232 438 28 MET HG3 H 2.609 0.020 2 233 438 28 MET CA C 55.926 0.400 1 234 438 28 MET CE C 17.075 0.400 1 235 438 28 MET CG C 31.986 0.400 1 236 438 28 MET N N 120.069 0.400 1 237 439 29 THR H H 7.993 0.020 1 238 439 29 THR HA H 4.284 0.020 1 239 439 29 THR HB H 4.041 0.020 1 240 439 29 THR HG2 H 1.088 0.020 1 241 439 29 THR CA C 61.734 0.400 1 242 439 29 THR CB C 69.817 0.400 1 243 439 29 THR CG2 C 21.586 0.400 1 244 439 29 THR N N 114.768 0.400 1 245 440 30 ARG H H 7.989 0.020 1 246 440 30 ARG HA H 4.309 0.020 1 247 440 30 ARG HB2 H 1.745 0.020 2 248 440 30 ARG HB3 H 1.606 0.020 2 249 440 30 ARG HD2 H 3.135 0.020 2 250 440 30 ARG HD3 H 3.135 0.020 2 251 440 30 ARG HG2 H 1.504 0.020 2 252 440 30 ARG HG3 H 1.504 0.020 2 253 440 30 ARG CB C 30.983 0.400 1 254 440 30 ARG CD C 43.273 0.400 1 255 440 30 ARG CG C 26.962 0.400 1 256 440 30 ARG N N 123.342 0.400 1 stop_ save_