data_16396 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of CBD of human MCM6 ; _BMRB_accession_number 16396 _BMRB_flat_file_name bmr16396.str _Entry_type original _Submission_date 2009-07-08 _Accession_date 2009-07-08 _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 . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 627 "13C chemical shifts" 414 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2010-05-20 original author 'original release' stop_ 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 CBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CBD $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _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 16796 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_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' 'E. coli' Escherichia coli . pET-28a 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 $entity 0.5 mM '[U-100% 13C; U-100% 15N]' MES 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' Glycerol 5 % 'natural abundance' NaCl 500 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 $entity 0.5 mM '[U-100% 13C; U-100% 15N]' MES 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' Glycerol 5 % 'natural abundance' NaCl 500 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM 'natural abundance' MES 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' Glycerol 5 % 'natural abundance' NaCl 500 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'A.T. Brunger' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 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 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CYANA $Sparky $CNS stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '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 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 HB H 1.388 0.020 1 4 708 1 ALA CA C 50.661 0.400 1 5 708 1 ALA CB C 18.369 0.400 1 6 708 1 ALA N N 125.985 0.400 1 7 709 2 PRO HA H 4.447 0.020 1 8 709 2 PRO HB2 H 2.312 0.020 2 9 709 2 PRO HB3 H 2.312 0.020 2 10 709 2 PRO HD2 H 3.814 0.020 2 11 709 2 PRO HD3 H 3.672 0.020 2 12 709 2 PRO HG2 H 1.924 0.020 2 13 709 2 PRO HG3 H 1.924 0.020 2 14 709 2 PRO C C 177.140 0.400 1 15 709 2 PRO CA C 63.227 0.400 1 16 709 2 PRO CB C 32.087 0.400 1 17 709 2 PRO CD C 50.569 0.400 1 18 709 2 PRO CG C 27.527 0.400 1 19 710 3 LYS H H 8.319 0.020 1 20 710 3 LYS HA H 4.270 0.020 1 21 710 3 LYS HB2 H 1.813 0.020 2 22 710 3 LYS HB3 H 1.813 0.020 2 23 710 3 LYS HE2 H 3.031 0.020 2 24 710 3 LYS HE3 H 3.031 0.020 2 25 710 3 LYS HG2 H 1.484 0.020 2 26 710 3 LYS HG3 H 1.484 0.020 2 27 710 3 LYS C C 176.662 0.400 1 28 710 3 LYS CA C 56.677 0.400 1 29 710 3 LYS CB C 33.058 0.400 1 30 710 3 LYS CD C 29.198 0.400 1 31 710 3 LYS CE C 42.323 0.400 1 32 710 3 LYS CG C 25.195 0.400 1 33 710 3 LYS N N 120.413 0.400 1 34 711 4 ALA H H 8.228 0.020 1 35 711 4 ALA HA H 4.330 0.020 1 36 711 4 ALA HB H 1.411 0.020 1 37 711 4 ALA CA C 52.823 0.400 1 38 711 4 ALA CB C 19.413 0.400 1 39 711 4 ALA N N 123.623 0.400 1 40 712 5 SER H H 8.125 0.020 1 41 712 5 SER HA H 4.419 0.020 1 42 712 5 SER HB2 H 3.869 0.020 2 43 712 5 SER HB3 H 3.869 0.020 2 44 712 5 SER C C 174.350 0.400 1 45 712 5 SER CA C 58.492 0.400 1 46 712 5 SER CB C 63.935 0.400 1 47 712 5 SER N N 113.775 0.400 1 48 713 6 LEU H H 8.105 0.020 1 49 713 6 LEU HA H 4.400 0.020 1 50 713 6 LEU HB2 H 1.618 0.020 2 51 713 6 LEU HB3 H 1.618 0.020 2 52 713 6 LEU HD1 H 0.866 0.020 2 53 713 6 LEU HD2 H 0.915 0.020 2 54 713 6 LEU CA C 55.204 0.400 1 55 713 6 LEU CB C 42.714 0.400 1 56 713 6 LEU N N 122.941 0.400 1 57 714 7 ARG HB2 H 1.714 0.020 2 58 714 7 ARG HB3 H 1.714 0.020 2 59 714 7 ARG HD2 H 3.192 0.020 2 60 714 7 ARG HD3 H 3.192 0.020 2 61 714 7 ARG C C 175.597 0.400 1 62 714 7 ARG CA C 55.797 0.400 1 63 714 7 ARG CB C 30.731 0.400 1 64 714 7 ARG CD C 43.567 0.400 1 65 715 8 LEU H H 8.134 0.020 1 66 715 8 LEU HA H 4.309 0.020 1 67 715 8 LEU HB2 H 1.597 0.020 2 68 715 8 LEU HB3 H 1.597 0.020 2 69 715 8 LEU HD1 H 0.928 0.020 2 70 715 8 LEU HD2 H 0.928 0.020 2 71 715 8 LEU C C 176.801 0.400 1 72 715 8 LEU CA C 54.863 0.400 1 73 715 8 LEU CB C 43.704 0.400 1 74 715 8 LEU N N 122.875 0.400 1 75 716 9 GLY H H 8.639 0.020 1 76 716 9 GLY HA2 H 4.062 0.020 2 77 716 9 GLY HA3 H 4.267 0.020 2 78 716 9 GLY CA C 44.968 0.400 1 79 716 9 GLY N N 110.984 0.400 1 80 717 10 PHE HA H 4.473 0.020 1 81 717 10 PHE HD1 H 7.267 0.020 1 82 717 10 PHE HD2 H 7.267 0.020 1 83 717 10 PHE HE1 H 7.375 0.020 1 84 717 10 PHE HE2 H 7.375 0.020 1 85 717 10 PHE HZ H 7.322 0.020 1 86 717 10 PHE CD1 C 131.705 0.400 1 87 717 10 PHE CE1 C 131.546 0.400 1 88 717 10 PHE CZ C 130.015 0.400 1 89 718 11 SER HA H 4.240 0.020 1 90 718 11 SER HB2 H 4.016 0.020 2 91 718 11 SER HB3 H 4.063 0.020 2 92 718 11 SER C C 176.491 0.400 1 93 718 11 SER CA C 61.428 0.400 1 94 718 11 SER CB C 62.737 0.400 1 95 719 12 GLU H H 8.110 0.020 1 96 719 12 GLU HA H 4.340 0.020 1 97 719 12 GLU HB2 H 2.037 0.020 2 98 719 12 GLU HB3 H 2.153 0.020 2 99 719 12 GLU HG2 H 2.360 0.020 2 100 719 12 GLU HG3 H 2.360 0.020 2 101 719 12 GLU C C 177.768 0.400 1 102 719 12 GLU CA C 58.981 0.400 1 103 719 12 GLU CB C 30.172 0.400 1 104 719 12 GLU N N 122.368 0.400 1 105 720 13 TYR H H 8.389 0.020 1 106 720 13 TYR HA H 4.293 0.020 1 107 720 13 TYR HB2 H 2.996 0.020 2 108 720 13 TYR HB3 H 2.907 0.020 2 109 720 13 TYR HD1 H 6.921 0.020 1 110 720 13 TYR HD2 H 6.921 0.020 1 111 720 13 TYR HE1 H 6.921 0.020 1 112 720 13 TYR HE2 H 6.921 0.020 1 113 720 13 TYR C C 178.379 0.400 1 114 720 13 TYR CA C 61.614 0.400 1 115 720 13 TYR CB C 38.526 0.400 1 116 720 13 TYR N N 118.519 0.400 1 117 721 14 SER H H 8.514 0.020 1 118 721 14 SER HB2 H 3.775 0.020 2 119 721 14 SER HB3 H 3.775 0.020 2 120 721 14 SER C C 175.881 0.400 1 121 721 14 SER CA C 61.713 0.400 1 122 721 14 SER N N 114.966 0.400 1 123 722 15 ARG H H 7.893 0.020 1 124 722 15 ARG HA H 4.112 0.020 1 125 722 15 ARG HB2 H 2.037 0.020 2 126 722 15 ARG HB3 H 2.037 0.020 2 127 722 15 ARG HG2 H 1.587 0.020 2 128 722 15 ARG HG3 H 1.587 0.020 2 129 722 15 ARG CA C 59.757 0.400 1 130 722 15 ARG CB C 30.477 0.400 1 131 722 15 ARG N N 121.528 0.400 1 132 723 16 ILE H H 8.338 0.020 1 133 723 16 ILE HA H 3.723 0.020 1 134 723 16 ILE HB H 2.130 0.020 1 135 723 16 ILE HD1 H 0.901 0.020 1 136 723 16 ILE HG12 H 1.238 0.020 2 137 723 16 ILE HG13 H 1.838 0.020 2 138 723 16 ILE HG2 H 0.895 0.020 1 139 723 16 ILE C C 177.906 0.400 1 140 723 16 ILE CA C 65.645 0.400 1 141 723 16 ILE CB C 32.114 0.400 1 142 723 16 ILE CD1 C 13.130 0.400 1 143 723 16 ILE CG2 C 17.242 0.400 1 144 723 16 ILE N N 118.476 0.400 1 145 724 17 SER H H 8.280 0.020 1 146 724 17 SER HB2 H 3.912 0.020 2 147 724 17 SER HB3 H 3.912 0.020 2 148 724 17 SER C C 175.543 0.400 1 149 724 17 SER CA C 62.669 0.400 1 150 724 17 SER N N 113.764 0.400 1 151 725 18 ASN H H 7.878 0.020 1 152 725 18 ASN HA H 4.434 0.020 1 153 725 18 ASN HB2 H 2.819 0.020 2 154 725 18 ASN HB3 H 2.993 0.020 2 155 725 18 ASN HD21 H 7.599 0.020 2 156 725 18 ASN HD22 H 6.870 0.020 2 157 725 18 ASN C C 176.935 0.400 1 158 725 18 ASN CA C 56.919 0.400 1 159 725 18 ASN CB C 38.941 0.400 1 160 725 18 ASN N N 117.580 0.400 1 161 725 18 ASN ND2 N 111.672 0.400 1 162 726 19 LEU H H 7.651 0.020 1 163 726 19 LEU HA H 4.288 0.020 1 164 726 19 LEU HB2 H 2.096 0.020 2 165 726 19 LEU HB3 H 2.274 0.020 2 166 726 19 LEU HD1 H 1.145 0.020 2 167 726 19 LEU HD2 H 1.104 0.020 2 168 726 19 LEU HG H 2.149 0.020 1 169 726 19 LEU C C 180.065 0.400 1 170 726 19 LEU CA C 58.584 0.400 1 171 726 19 LEU CB C 42.525 0.400 1 172 726 19 LEU CD1 C 25.561 0.400 1 173 726 19 LEU CD2 C 24.190 0.400 1 174 726 19 LEU N N 118.097 0.400 1 175 727 20 ILE H H 8.277 0.020 1 176 727 20 ILE HA H 3.773 0.020 1 177 727 20 ILE HB H 2.142 0.020 1 178 727 20 ILE HD1 H 0.770 0.020 1 179 727 20 ILE HG12 H 1.326 0.020 2 180 727 20 ILE HG13 H 1.850 0.020 2 181 727 20 ILE HG2 H 0.912 0.020 1 182 727 20 ILE C C 177.186 0.400 1 183 727 20 ILE CA C 65.455 0.400 1 184 727 20 ILE CB C 37.892 0.400 1 185 727 20 ILE CD1 C 13.792 0.400 1 186 727 20 ILE CG2 C 17.999 0.400 1 187 727 20 ILE N N 117.826 0.400 1 188 728 21 VAL H H 8.414 0.020 1 189 728 21 VAL HA H 3.402 0.020 1 190 728 21 VAL HB H 2.167 0.020 1 191 728 21 VAL HG1 H 0.940 0.020 2 192 728 21 VAL HG2 H 0.927 0.020 2 193 728 21 VAL C C 177.773 0.400 1 194 728 21 VAL CA C 67.537 0.400 1 195 728 21 VAL CB C 31.726 0.400 1 196 728 21 VAL CG1 C 21.523 0.400 1 197 728 21 VAL CG2 C 23.597 0.400 1 198 728 21 VAL N N 119.422 0.400 1 199 729 22 LEU H H 8.249 0.020 1 200 729 22 LEU HA H 4.032 0.020 1 201 729 22 LEU HB2 H 1.728 0.020 2 202 729 22 LEU HB3 H 1.984 0.020 2 203 729 22 LEU HD1 H 0.976 0.020 2 204 729 22 LEU HD2 H 0.990 0.020 2 205 729 22 LEU HG H 1.899 0.020 1 206 729 22 LEU C C 179.998 0.400 1 207 729 22 LEU CA C 58.304 0.400 1 208 729 22 LEU CB C 41.644 0.400 1 209 729 22 LEU CD1 C 23.643 0.400 1 210 729 22 LEU CD2 C 25.277 0.400 1 211 729 22 LEU N N 117.546 0.400 1 212 730 23 HIS H H 7.905 0.020 1 213 730 23 HIS HA H 4.199 0.020 1 214 730 23 HIS HB2 H 2.580 0.020 2 215 730 23 HIS HB3 H 2.780 0.020 2 216 730 23 HIS C C 176.418 0.400 1 217 730 23 HIS CA C 59.308 0.400 1 218 730 23 HIS CB C 28.652 0.400 1 219 730 23 HIS N N 116.918 0.400 1 220 731 24 LEU H H 8.337 0.020 1 221 731 24 LEU HA H 3.771 0.020 1 222 731 24 LEU HB2 H 1.769 0.020 2 223 731 24 LEU HB3 H 1.769 0.020 2 224 731 24 LEU HD1 H 0.883 0.020 2 225 731 24 LEU HD2 H 0.883 0.020 2 226 731 24 LEU C C 179.892 0.400 1 227 731 24 LEU CA C 57.922 0.400 1 228 731 24 LEU CB C 41.733 0.400 1 229 731 24 LEU N N 117.507 0.400 1 230 732 25 ARG H H 8.400 0.020 1 231 732 25 ARG HA H 4.055 0.020 1 232 732 25 ARG HB2 H 1.721 0.020 2 233 732 25 ARG HB3 H 1.721 0.020 2 234 732 25 ARG HD2 H 3.187 0.020 2 235 732 25 ARG HD3 H 3.187 0.020 2 236 732 25 ARG HG2 H 1.509 0.020 2 237 732 25 ARG HG3 H 1.509 0.020 2 238 732 25 ARG C C 178.398 0.400 1 239 732 25 ARG CA C 59.387 0.400 1 240 732 25 ARG CB C 29.812 0.400 1 241 732 25 ARG CD C 43.630 0.400 1 242 732 25 ARG N N 118.175 0.400 1 243 733 26 LYS H H 7.595 0.020 1 244 733 26 LYS HA H 4.079 0.020 1 245 733 26 LYS HB2 H 1.911 0.020 2 246 733 26 LYS HB3 H 1.911 0.020 2 247 733 26 LYS HD2 H 1.720 0.020 2 248 733 26 LYS HD3 H 1.720 0.020 2 249 733 26 LYS HE2 H 3.025 0.020 2 250 733 26 LYS HE3 H 3.025 0.020 2 251 733 26 LYS HG2 H 1.516 0.020 2 252 733 26 LYS HG3 H 1.516 0.020 2 253 733 26 LYS C C 178.947 0.400 1 254 733 26 LYS CA C 59.187 0.400 1 255 733 26 LYS CB C 31.968 0.400 1 256 733 26 LYS CE C 42.253 0.400 1 257 733 26 LYS N N 119.946 0.400 1 258 734 27 VAL H H 7.871 0.020 1 259 734 27 VAL HA H 3.606 0.020 1 260 734 27 VAL HB H 1.961 0.020 1 261 734 27 VAL HG1 H 0.720 0.020 2 262 734 27 VAL HG2 H 0.552 0.020 2 263 734 27 VAL C C 178.311 0.400 1 264 734 27 VAL CA C 65.902 0.400 1 265 734 27 VAL CB C 31.676 0.400 1 266 734 27 VAL CG1 C 21.733 0.400 1 267 734 27 VAL CG2 C 21.523 0.400 1 268 734 27 VAL N N 117.273 0.400 1 269 735 28 GLU H H 7.891 0.020 1 270 735 28 GLU HA H 4.015 0.020 1 271 735 28 GLU HB2 H 2.170 0.020 2 272 735 28 GLU HB3 H 2.170 0.020 2 273 735 28 GLU HG2 H 2.296 0.020 2 274 735 28 GLU HG3 H 2.443 0.020 2 275 735 28 GLU C C 178.458 0.400 1 276 735 28 GLU CA C 59.194 0.400 1 277 735 28 GLU CB C 29.915 0.400 1 278 735 28 GLU CG C 36.374 0.400 1 279 735 28 GLU N N 118.474 0.400 1 280 736 29 GLU H H 7.690 0.020 1 281 736 29 GLU HA H 4.188 0.020 1 282 736 29 GLU HB2 H 2.166 0.020 2 283 736 29 GLU HB3 H 2.166 0.020 2 284 736 29 GLU HG2 H 2.476 0.020 2 285 736 29 GLU HG3 H 2.476 0.020 2 286 736 29 GLU C C 177.970 0.400 1 287 736 29 GLU CA C 58.100 0.400 1 288 736 29 GLU CB C 30.425 0.400 1 289 736 29 GLU CG C 36.550 0.400 1 290 736 29 GLU N N 116.126 0.400 1 291 737 30 GLU H H 7.923 0.020 1 292 737 30 GLU HA H 4.349 0.020 1 293 737 30 GLU HB2 H 2.155 0.020 2 294 737 30 GLU HB3 H 2.155 0.020 2 295 737 30 GLU HG2 H 2.293 0.020 2 296 737 30 GLU HG3 H 2.454 0.020 2 297 737 30 GLU C C 177.061 0.400 1 298 737 30 GLU CA C 57.185 0.400 1 299 737 30 GLU CB C 30.522 0.400 1 300 737 30 GLU N N 116.695 0.400 1 301 738 31 GLU H H 8.195 0.020 1 302 738 31 GLU HA H 4.354 0.020 1 303 738 31 GLU HB2 H 2.068 0.020 2 304 738 31 GLU HB3 H 2.068 0.020 2 305 738 31 GLU HG2 H 2.292 0.020 2 306 738 31 GLU HG3 H 2.292 0.020 2 307 738 31 GLU C C 176.401 0.400 1 308 738 31 GLU CA C 56.673 0.400 1 309 738 31 GLU CB C 30.065 0.400 1 310 738 31 GLU CG C 36.495 0.400 1 311 738 31 GLU N N 117.755 0.400 1 312 739 32 ASP H H 8.202 0.020 1 313 739 32 ASP HA H 4.608 0.020 1 314 739 32 ASP HB2 H 2.643 0.020 2 315 739 32 ASP HB3 H 2.820 0.020 2 316 739 32 ASP C C 176.193 0.400 1 317 739 32 ASP CA C 55.003 0.400 1 318 739 32 ASP CB C 40.870 0.400 1 319 739 32 ASP N N 118.210 0.400 1 320 740 33 GLU H H 8.030 0.020 1 321 740 33 GLU HA H 4.300 0.020 1 322 740 33 GLU HB2 H 1.939 0.020 2 323 740 33 GLU HB3 H 2.058 0.020 2 324 740 33 GLU HG2 H 2.250 0.020 2 325 740 33 GLU HG3 H 2.250 0.020 2 326 740 33 GLU C C 174.320 0.400 1 327 740 33 GLU CA C 56.778 0.400 1 328 740 33 GLU CB C 30.122 0.400 1 329 740 33 GLU N N 118.472 0.400 1 330 741 34 SER H H 8.157 0.020 1 331 741 34 SER HA H 4.325 0.020 1 332 741 34 SER HB2 H 3.886 0.020 2 333 741 34 SER HB3 H 3.886 0.020 2 334 741 34 SER C C 173.455 0.400 1 335 741 34 SER CA C 59.287 0.400 1 336 741 34 SER CB C 64.076 0.400 1 337 741 34 SER N N 114.640 0.400 1 338 742 35 ALA H H 7.624 0.020 1 339 742 35 ALA HA H 4.502 0.020 1 340 742 35 ALA HB H 1.265 0.020 1 341 742 35 ALA C C 176.291 0.400 1 342 742 35 ALA CA C 52.096 0.400 1 343 742 35 ALA CB C 20.856 0.400 1 344 742 35 ALA N N 121.271 0.400 1 345 743 36 LEU HA H 4.147 0.020 1 346 743 36 LEU HB2 H 1.994 0.020 2 347 743 36 LEU HB3 H 1.994 0.020 2 348 743 36 LEU HG H 1.958 0.020 1 349 744 37 LYS HA H 4.122 0.020 1 350 744 37 LYS C C 178.164 0.400 1 351 744 37 LYS CA C 56.389 0.400 1 352 745 38 ARG H H 8.594 0.020 1 353 745 38 ARG HA H 4.370 0.020 1 354 745 38 ARG HB2 H 1.709 0.020 2 355 745 38 ARG HB3 H 1.709 0.020 2 356 745 38 ARG C C 177.994 0.400 1 357 745 38 ARG CA C 61.196 0.400 1 358 745 38 ARG N N 123.453 0.400 1 359 746 39 SER H H 10.189 0.020 1 360 746 39 SER HA H 4.003 0.020 1 361 746 39 SER C C 177.538 0.400 1 362 746 39 SER CA C 61.082 0.400 1 363 746 39 SER N N 113.446 0.400 1 364 747 40 GLU H H 6.933 0.020 1 365 747 40 GLU HA H 4.336 0.020 1 366 747 40 GLU HB2 H 2.221 0.020 2 367 747 40 GLU HB3 H 2.221 0.020 2 368 747 40 GLU HG2 H 2.474 0.020 2 369 747 40 GLU HG3 H 2.474 0.020 2 370 747 40 GLU C C 179.624 0.400 1 371 747 40 GLU CA C 58.421 0.400 1 372 747 40 GLU CB C 30.159 0.400 1 373 747 40 GLU N N 122.082 0.400 1 374 748 41 LEU H H 8.436 0.020 1 375 748 41 LEU HA H 4.443 0.020 1 376 748 41 LEU HB2 H 1.778 0.020 2 377 748 41 LEU HB3 H 1.778 0.020 2 378 748 41 LEU C C 178.013 0.400 1 379 748 41 LEU CA C 58.251 0.400 1 380 748 41 LEU CB C 42.229 0.400 1 381 748 41 LEU N N 123.679 0.400 1 382 749 42 VAL H H 8.339 0.020 1 383 749 42 VAL HA H 3.585 0.020 1 384 749 42 VAL HB H 2.250 0.020 1 385 749 42 VAL HG1 H 1.019 0.020 2 386 749 42 VAL HG2 H 1.094 0.020 2 387 749 42 VAL C C 177.425 0.400 1 388 749 42 VAL CA C 67.395 0.400 1 389 749 42 VAL CG1 C 21.404 0.400 1 390 749 42 VAL CG2 C 23.434 0.400 1 391 749 42 VAL N N 118.519 0.400 1 392 750 43 ASN H H 8.060 0.020 1 393 750 43 ASN HA H 4.462 0.020 1 394 750 43 ASN HB2 H 2.970 0.020 2 395 750 43 ASN HB3 H 2.864 0.020 2 396 750 43 ASN HD21 H 7.615 0.020 2 397 750 43 ASN HD22 H 6.837 0.020 2 398 750 43 ASN C C 177.779 0.400 1 399 750 43 ASN CA C 56.459 0.400 1 400 750 43 ASN CB C 38.352 0.400 1 401 750 43 ASN N N 115.316 0.400 1 402 750 43 ASN ND2 N 111.040 0.400 1 403 751 44 TRP H H 8.518 0.020 1 404 751 44 TRP HA H 4.124 0.020 1 405 751 44 TRP HB2 H 3.476 0.020 2 406 751 44 TRP HB3 H 3.694 0.020 2 407 751 44 TRP HD1 H 7.197 0.020 1 408 751 44 TRP HE1 H 9.793 0.020 1 409 751 44 TRP HH2 H 6.963 0.020 1 410 751 44 TRP HZ2 H 7.241 0.020 1 411 751 44 TRP C C 176.913 0.400 1 412 751 44 TRP CA C 62.017 0.400 1 413 751 44 TRP CB C 27.510 0.400 1 414 751 44 TRP CD1 C 126.969 0.400 1 415 751 44 TRP CH2 C 123.685 0.400 1 416 751 44 TRP CZ2 C 114.466 0.400 1 417 751 44 TRP N N 121.008 0.400 1 418 751 44 TRP NE1 N 129.553 0.400 1 419 752 45 TYR H H 8.219 0.020 1 420 752 45 TYR HA H 4.595 0.020 1 421 752 45 TYR HB2 H 3.115 0.020 2 422 752 45 TYR HB3 H 3.018 0.020 2 423 752 45 TYR HD1 H 6.755 0.020 1 424 752 45 TYR HD2 H 6.755 0.020 1 425 752 45 TYR HE1 H 6.654 0.020 1 426 752 45 TYR HE2 H 6.654 0.020 1 427 752 45 TYR C C 176.791 0.400 1 428 752 45 TYR CA C 61.762 0.400 1 429 752 45 TYR CB C 38.794 0.400 1 430 752 45 TYR CD1 C 132.213 0.400 1 431 752 45 TYR CE1 C 118.158 0.400 1 432 752 45 TYR N N 120.101 0.400 1 433 753 46 LEU H H 8.109 0.020 1 434 753 46 LEU HA H 3.719 0.020 1 435 753 46 LEU HD1 H 0.903 0.020 2 436 753 46 LEU HD2 H 0.810 0.020 2 437 753 46 LEU HG H 2.090 0.020 1 438 753 46 LEU C C 178.650 0.400 1 439 753 46 LEU CA C 57.315 0.400 1 440 753 46 LEU CB C 41.322 0.400 1 441 753 46 LEU CD1 C 26.019 0.400 1 442 753 46 LEU CD2 C 22.424 0.400 1 443 753 46 LEU N N 115.046 0.400 1 444 754 47 LYS H H 7.548 0.020 1 445 754 47 LYS HA H 4.046 0.020 1 446 754 47 LYS HB2 H 1.837 0.020 2 447 754 47 LYS HB3 H 1.837 0.020 2 448 754 47 LYS HD2 H 1.661 0.020 2 449 754 47 LYS HD3 H 1.661 0.020 2 450 754 47 LYS HE2 H 2.998 0.020 2 451 754 47 LYS HE3 H 2.998 0.020 2 452 754 47 LYS HG2 H 1.449 0.020 2 453 754 47 LYS HG3 H 1.449 0.020 2 454 754 47 LYS C C 178.993 0.400 1 455 754 47 LYS CA C 58.133 0.400 1 456 754 47 LYS CB C 32.003 0.400 1 457 754 47 LYS CE C 42.169 0.400 1 458 754 47 LYS CG C 24.932 0.400 1 459 754 47 LYS N N 116.456 0.400 1 460 755 48 GLU H H 7.789 0.020 1 461 755 48 GLU HA H 3.848 0.020 1 462 755 48 GLU HB2 H 1.456 0.020 2 463 755 48 GLU HB3 H 1.456 0.020 2 464 755 48 GLU HG2 H 1.560 0.020 2 465 755 48 GLU HG3 H 1.560 0.020 2 466 755 48 GLU CA C 58.143 0.400 1 467 755 48 GLU CB C 29.008 0.400 1 468 755 48 GLU CG C 35.320 0.400 1 469 755 48 GLU N N 119.436 0.400 1 470 756 49 ILE H H 7.094 0.020 1 471 756 49 ILE HA H 4.275 0.020 1 472 756 49 ILE HB H 1.802 0.020 1 473 756 49 ILE HD1 H 0.640 0.020 1 474 756 49 ILE HG2 H 0.467 0.020 1 475 756 49 ILE C C 177.121 0.400 1 476 756 49 ILE CA C 60.409 0.400 1 477 756 49 ILE CB C 37.080 0.400 1 478 756 49 ILE CD1 C 14.180 0.400 1 479 756 49 ILE CG2 C 17.833 0.400 1 480 756 49 ILE N N 110.858 0.400 1 481 757 50 GLU H H 7.140 0.020 1 482 757 50 GLU HA H 4.013 0.020 1 483 757 50 GLU HB2 H 2.136 0.020 2 484 757 50 GLU HB3 H 2.136 0.020 2 485 757 50 GLU HG2 H 2.234 0.020 2 486 757 50 GLU HG3 H 2.234 0.020 2 487 757 50 GLU C C 177.440 0.400 1 488 757 50 GLU CA C 58.957 0.400 1 489 757 50 GLU CB C 29.393 0.400 1 490 757 50 GLU N N 121.108 0.400 1 491 758 51 SER H H 8.114 0.020 1 492 758 51 SER HA H 4.268 0.020 1 493 758 51 SER HB2 H 3.861 0.020 2 494 758 51 SER HB3 H 3.955 0.020 2 495 758 51 SER C C 175.305 0.400 1 496 758 51 SER CA C 60.154 0.400 1 497 758 51 SER CB C 63.161 0.400 1 498 758 51 SER N N 112.270 0.400 1 499 759 52 GLU H H 8.255 0.020 1 500 759 52 GLU HA H 4.381 0.020 1 501 759 52 GLU HB2 H 1.989 0.020 2 502 759 52 GLU HB3 H 1.989 0.020 2 503 759 52 GLU HG2 H 2.212 0.020 2 504 759 52 GLU HG3 H 2.212 0.020 2 505 759 52 GLU C C 175.986 0.400 1 506 759 52 GLU CA C 56.167 0.400 1 507 759 52 GLU CB C 30.223 0.400 1 508 759 52 GLU CG C 36.450 0.400 1 509 759 52 GLU N N 119.072 0.400 1 510 760 53 ILE H H 7.479 0.020 1 511 760 53 ILE HA H 4.112 0.020 1 512 760 53 ILE HB H 1.969 0.020 1 513 760 53 ILE HD1 H 0.837 0.020 1 514 760 53 ILE HG12 H 1.632 0.020 2 515 760 53 ILE HG13 H 1.010 0.020 2 516 760 53 ILE HG2 H 0.935 0.020 1 517 760 53 ILE C C 175.668 0.400 1 518 760 53 ILE CA C 61.264 0.400 1 519 760 53 ILE CB C 38.658 0.400 1 520 760 53 ILE CD1 C 13.625 0.400 1 521 760 53 ILE CG2 C 19.051 0.400 1 522 760 53 ILE N N 118.998 0.400 1 523 761 54 ASP H H 8.590 0.020 1 524 761 54 ASP HA H 4.824 0.020 1 525 761 54 ASP HB2 H 2.697 0.020 2 526 761 54 ASP HB3 H 2.771 0.020 2 527 761 54 ASP C C 175.703 0.400 1 528 761 54 ASP CA C 54.364 0.400 1 529 761 54 ASP CB C 42.314 0.400 1 530 761 54 ASP N N 123.973 0.400 1 531 762 55 SER H H 7.556 0.020 1 532 762 55 SER HA H 4.775 0.020 1 533 762 55 SER HB2 H 4.260 0.020 2 534 762 55 SER HB3 H 4.036 0.020 2 535 762 55 SER C C 174.526 0.400 1 536 762 55 SER CA C 57.196 0.400 1 537 762 55 SER CB C 65.960 0.400 1 538 762 55 SER N N 111.192 0.400 1 539 763 56 GLU H H 9.017 0.020 1 540 763 56 GLU HA H 4.082 0.020 1 541 763 56 GLU HB2 H 2.109 0.020 2 542 763 56 GLU HB3 H 2.109 0.020 2 543 763 56 GLU HG2 H 2.364 0.020 2 544 763 56 GLU HG3 H 2.364 0.020 2 545 763 56 GLU C C 178.283 0.400 1 546 763 56 GLU CA C 59.542 0.400 1 547 763 56 GLU CB C 29.550 0.400 1 548 763 56 GLU N N 123.031 0.400 1 549 764 57 GLU H H 8.581 0.020 1 550 764 57 GLU HA H 4.023 0.020 1 551 764 57 GLU HB2 H 2.012 0.020 2 552 764 57 GLU HB3 H 2.114 0.020 2 553 764 57 GLU HG2 H 2.360 0.020 2 554 764 57 GLU HG3 H 2.360 0.020 2 555 764 57 GLU C C 178.849 0.400 1 556 764 57 GLU CA C 59.948 0.400 1 557 764 57 GLU CB C 29.403 0.400 1 558 764 57 GLU CG C 36.752 0.400 1 559 764 57 GLU N N 117.914 0.400 1 560 765 58 GLU H H 7.795 0.020 1 561 765 58 GLU HA H 4.290 0.020 1 562 765 58 GLU HB2 H 2.125 0.020 2 563 765 58 GLU HB3 H 2.125 0.020 2 564 765 58 GLU HG2 H 2.333 0.020 2 565 765 58 GLU HG3 H 2.448 0.020 2 566 765 58 GLU C C 178.349 0.400 1 567 765 58 GLU CA C 58.628 0.400 1 568 765 58 GLU CB C 30.075 0.400 1 569 765 58 GLU CG C 36.707 0.400 1 570 765 58 GLU N N 118.635 0.400 1 571 766 59 LEU H H 7.859 0.020 1 572 766 59 LEU HA H 3.975 0.020 1 573 766 59 LEU HB2 H 1.686 0.020 2 574 766 59 LEU HB3 H 1.686 0.020 2 575 766 59 LEU HD1 H 0.970 0.020 2 576 766 59 LEU HD2 H 0.970 0.020 2 577 766 59 LEU HG H 1.685 0.020 1 578 766 59 LEU C C 178.333 0.400 1 579 766 59 LEU CA C 59.058 0.400 1 580 766 59 LEU CB C 41.598 0.400 1 581 766 59 LEU CD1 C 25.211 0.400 1 582 766 59 LEU N N 121.470 0.400 1 583 767 60 ILE H H 8.011 0.020 1 584 767 60 ILE HA H 3.700 0.020 1 585 767 60 ILE HB H 2.009 0.020 1 586 767 60 ILE HD1 H 0.897 0.020 1 587 767 60 ILE HG12 H 1.333 0.020 2 588 767 60 ILE HG13 H 1.738 0.020 2 589 767 60 ILE HG2 H 0.973 0.020 1 590 767 60 ILE C C 178.556 0.400 1 591 767 60 ILE CA C 64.525 0.400 1 592 767 60 ILE CB C 37.709 0.400 1 593 767 60 ILE CD1 C 12.723 0.400 1 594 767 60 ILE CG2 C 17.397 0.400 1 595 767 60 ILE N N 117.568 0.400 1 596 768 61 ASN H H 7.832 0.020 1 597 768 61 ASN HA H 4.514 0.020 1 598 768 61 ASN HB2 H 2.906 0.020 2 599 768 61 ASN HB3 H 2.994 0.020 2 600 768 61 ASN HD21 H 7.700 0.020 2 601 768 61 ASN HD22 H 6.947 0.020 2 602 768 61 ASN C C 177.935 0.400 1 603 768 61 ASN CA C 56.576 0.400 1 604 768 61 ASN CB C 38.598 0.400 1 605 768 61 ASN N N 117.974 0.400 1 606 768 61 ASN ND2 N 112.208 0.400 1 607 769 62 LYS H H 8.577 0.020 1 608 769 62 LYS HA H 4.105 0.020 1 609 769 62 LYS HB2 H 1.762 0.020 2 610 769 62 LYS HB3 H 1.762 0.020 2 611 769 62 LYS HD2 H 1.723 0.020 2 612 769 62 LYS HD3 H 1.723 0.020 2 613 769 62 LYS HE2 H 2.993 0.020 2 614 769 62 LYS HE3 H 2.907 0.020 2 615 769 62 LYS C C 178.689 0.400 1 616 769 62 LYS CA C 58.605 0.400 1 617 769 62 LYS CB C 32.026 0.400 1 618 769 62 LYS CD C 29.059 0.400 1 619 769 62 LYS N N 118.093 0.400 1 620 770 63 LYS H H 8.652 0.020 1 621 770 63 LYS HA H 3.931 0.020 1 622 770 63 LYS HB2 H 2.136 0.020 2 623 770 63 LYS HB3 H 2.136 0.020 2 624 770 63 LYS HE2 H 2.944 0.020 2 625 770 63 LYS HE3 H 2.944 0.020 2 626 770 63 LYS C C 177.499 0.400 1 627 770 63 LYS CA C 60.358 0.400 1 628 770 63 LYS CB C 32.837 0.400 1 629 770 63 LYS CE C 42.063 0.400 1 630 770 63 LYS N N 120.300 0.400 1 631 771 64 ARG H H 7.965 0.020 1 632 771 64 ARG HA H 4.178 0.020 1 633 771 64 ARG C C 179.823 0.400 1 634 771 64 ARG CA C 59.334 0.400 1 635 771 64 ARG CB C 30.292 0.400 1 636 771 64 ARG N N 116.385 0.400 1 637 772 65 ILE H H 7.895 0.020 1 638 772 65 ILE HA H 3.744 0.020 1 639 772 65 ILE HB H 1.684 0.020 1 640 772 65 ILE HD1 H 0.800 0.020 1 641 772 65 ILE HG2 H 0.668 0.020 1 642 772 65 ILE CA C 65.258 0.400 1 643 772 65 ILE CB C 37.850 0.400 1 644 772 65 ILE CD1 C 14.084 0.400 1 645 772 65 ILE CG2 C 18.208 0.400 1 646 772 65 ILE N N 118.580 0.400 1 647 773 66 ILE H H 8.332 0.020 1 648 773 66 ILE HA H 3.901 0.020 1 649 773 66 ILE HB H 1.762 0.020 1 650 773 66 ILE HD1 H 0.419 0.020 1 651 773 66 ILE HG12 H 1.163 0.020 2 652 773 66 ILE HG13 H 1.325 0.020 2 653 773 66 ILE HG2 H 1.207 0.020 1 654 773 66 ILE C C 177.690 0.400 1 655 773 66 ILE CA C 62.723 0.400 1 656 773 66 ILE CB C 37.261 0.400 1 657 773 66 ILE CD1 C 13.768 0.400 1 658 773 66 ILE CG2 C 20.259 0.400 1 659 773 66 ILE N N 118.514 0.400 1 660 774 67 GLU H H 8.350 0.020 1 661 774 67 GLU HA H 3.877 0.020 1 662 774 67 GLU HB2 H 2.151 0.020 2 663 774 67 GLU HB3 H 2.151 0.020 2 664 774 67 GLU HG2 H 2.292 0.020 2 665 774 67 GLU HG3 H 2.292 0.020 2 666 774 67 GLU C C 179.863 0.400 1 667 774 67 GLU CA C 60.728 0.400 1 668 774 67 GLU CB C 29.448 0.400 1 669 774 67 GLU N N 120.531 0.400 1 670 775 68 LYS H H 8.019 0.020 1 671 775 68 LYS HA H 4.256 0.020 1 672 775 68 LYS HB2 H 2.154 0.020 2 673 775 68 LYS HB3 H 2.154 0.020 2 674 775 68 LYS HE2 H 3.006 0.020 2 675 775 68 LYS HE3 H 3.006 0.020 2 676 775 68 LYS HG2 H 1.725 0.020 2 677 775 68 LYS HG3 H 1.725 0.020 2 678 775 68 LYS C C 179.517 0.400 1 679 775 68 LYS CA C 59.631 0.400 1 680 775 68 LYS CB C 32.296 0.400 1 681 775 68 LYS CE C 42.129 0.400 1 682 775 68 LYS N N 120.742 0.400 1 683 776 69 VAL H H 8.642 0.020 1 684 776 69 VAL HA H 3.735 0.020 1 685 776 69 VAL HB H 1.176 0.020 1 686 776 69 VAL HG1 H 0.843 0.020 2 687 776 69 VAL HG2 H 1.164 0.020 2 688 776 69 VAL C C 177.756 0.400 1 689 776 69 VAL CA C 67.502 0.400 1 690 776 69 VAL CB C 31.894 0.400 1 691 776 69 VAL CG1 C 21.153 0.400 1 692 776 69 VAL CG2 C 23.935 0.400 1 693 776 69 VAL N N 121.301 0.400 1 694 777 70 ILE HA H 3.493 0.020 1 695 777 70 ILE HB H 1.919 0.020 1 696 777 70 ILE HD1 H 0.804 0.020 1 697 777 70 ILE HG12 H 1.878 0.020 2 698 777 70 ILE HG13 H 1.878 0.020 2 699 777 70 ILE HG2 H 0.848 0.020 1 700 777 70 ILE C C 178.359 0.400 1 701 777 70 ILE CA C 66.150 0.400 1 702 777 70 ILE CD1 C 15.322 0.400 1 703 777 70 ILE CG2 C 17.882 0.400 1 704 778 71 HIS H H 8.371 0.020 1 705 778 71 HIS HA H 4.434 0.020 1 706 778 71 HIS HB2 H 3.359 0.020 2 707 778 71 HIS HB3 H 3.469 0.020 2 708 778 71 HIS HD1 H 7.105 0.020 1 709 778 71 HIS HD2 H 7.111 0.020 1 710 778 71 HIS HE1 H 7.709 0.020 1 711 778 71 HIS C C 177.731 0.400 1 712 778 71 HIS CA C 61.126 0.400 1 713 778 71 HIS CB C 30.587 0.400 1 714 778 71 HIS CD2 C 119.624 0.400 1 715 778 71 HIS CE1 C 138.389 0.400 1 716 778 71 HIS N N 120.997 0.400 1 717 779 72 ARG H H 8.451 0.020 1 718 779 72 ARG HA H 4.141 0.020 1 719 779 72 ARG HB2 H 2.096 0.020 2 720 779 72 ARG HB3 H 2.096 0.020 2 721 779 72 ARG HG2 H 1.763 0.020 2 722 779 72 ARG HG3 H 1.763 0.020 2 723 779 72 ARG C C 179.530 0.400 1 724 779 72 ARG CA C 60.100 0.400 1 725 779 72 ARG CB C 30.298 0.400 1 726 779 72 ARG N N 120.721 0.400 1 727 780 73 LEU H H 9.163 0.020 1 728 780 73 LEU HA H 4.288 0.020 1 729 780 73 LEU HB2 H 2.091 0.020 2 730 780 73 LEU HB3 H 2.091 0.020 2 731 780 73 LEU HD1 H 0.868 0.020 2 732 780 73 LEU HD2 H 0.728 0.020 2 733 780 73 LEU HG H 1.314 0.020 1 734 780 73 LEU C C 178.699 0.400 1 735 780 73 LEU CA C 57.960 0.400 1 736 780 73 LEU CB C 43.583 0.400 1 737 780 73 LEU CD1 C 22.646 0.400 1 738 780 73 LEU CD2 C 26.202 0.400 1 739 780 73 LEU N N 120.305 0.400 1 740 781 74 THR H H 7.902 0.020 1 741 781 74 THR HA H 4.476 0.020 1 742 781 74 THR HG2 H 0.683 0.020 1 743 781 74 THR C C 175.737 0.400 1 744 781 74 THR CA C 64.323 0.400 1 745 781 74 THR CB C 69.796 0.400 1 746 781 74 THR CG2 C 20.825 0.400 1 747 781 74 THR N N 111.995 0.400 1 748 782 75 HIS H H 8.386 0.020 1 749 782 75 HIS HA H 4.397 0.020 1 750 782 75 HIS HB2 H 2.429 0.020 2 751 782 75 HIS HB3 H 2.950 0.020 2 752 782 75 HIS HD2 H 7.230 0.020 1 753 782 75 HIS HE1 H 8.041 0.020 1 754 782 75 HIS C C 174.637 0.400 1 755 782 75 HIS CA C 58.384 0.400 1 756 782 75 HIS CB C 30.494 0.400 1 757 782 75 HIS CD2 C 120.011 0.400 1 758 782 75 HIS CE1 C 136.912 0.400 1 759 782 75 HIS N N 115.583 0.400 1 760 783 76 TYR HA H 4.725 0.020 1 761 783 76 TYR HB2 H 3.208 0.020 2 762 783 76 TYR HB3 H 3.103 0.020 2 763 783 76 TYR HD1 H 7.160 0.020 1 764 783 76 TYR HD2 H 7.160 0.020 1 765 783 76 TYR HE1 H 6.905 0.020 1 766 783 76 TYR HE2 H 6.905 0.020 1 767 783 76 TYR C C 176.141 0.400 1 768 783 76 TYR CA C 59.155 0.400 1 769 783 76 TYR CB C 39.218 0.400 1 770 783 76 TYR CD1 C 132.749 0.400 1 771 783 76 TYR CE1 C 118.402 0.400 1 772 784 77 ASP H H 8.248 0.020 1 773 784 77 ASP HA H 4.686 0.020 1 774 784 77 ASP HB2 H 3.089 0.020 2 775 784 77 ASP HB3 H 3.089 0.020 2 776 784 77 ASP C C 175.810 0.400 1 777 784 77 ASP CA C 55.846 0.400 1 778 784 77 ASP CB C 42.154 0.400 1 779 784 77 ASP N N 115.591 0.400 1 780 785 78 HIS H H 6.744 0.020 1 781 785 78 HIS HA H 4.507 0.020 1 782 785 78 HIS HB2 H 3.396 0.020 2 783 785 78 HIS HB3 H 3.459 0.020 2 784 785 78 HIS HD2 H 7.200 0.020 1 785 785 78 HIS HE1 H 8.513 0.020 1 786 785 78 HIS C C 173.556 0.400 1 787 785 78 HIS CA C 56.966 0.400 1 788 785 78 HIS CB C 26.128 0.400 1 789 785 78 HIS CD2 C 119.923 0.400 1 790 785 78 HIS CE1 C 136.126 0.400 1 791 785 78 HIS N N 109.352 0.400 1 792 786 79 VAL H H 8.184 0.020 1 793 786 79 VAL HA H 3.601 0.020 1 794 786 79 VAL HB H 2.087 0.020 1 795 786 79 VAL HG1 H 0.466 0.020 2 796 786 79 VAL HG2 H 0.691 0.020 2 797 786 79 VAL C C 175.496 0.400 1 798 786 79 VAL CA C 64.878 0.400 1 799 786 79 VAL CB C 33.854 0.400 1 800 786 79 VAL CG1 C 20.949 0.400 1 801 786 79 VAL CG2 C 22.934 0.400 1 802 786 79 VAL N N 118.649 0.400 1 803 787 80 LEU H H 6.991 0.020 1 804 787 80 LEU HA H 5.165 0.020 1 805 787 80 LEU HB2 H 1.664 0.020 2 806 787 80 LEU HB3 H 1.664 0.020 2 807 787 80 LEU C C 175.453 0.400 1 808 787 80 LEU CA C 51.953 0.400 1 809 787 80 LEU CB C 43.851 0.400 1 810 787 80 LEU N N 114.378 0.400 1 811 788 81 ILE H H 9.018 0.020 1 812 788 81 ILE HA H 4.272 0.020 1 813 788 81 ILE HB H 1.677 0.020 1 814 788 81 ILE HD1 H 0.805 0.020 1 815 788 81 ILE HG12 H 1.348 0.020 2 816 788 81 ILE HG13 H 1.348 0.020 2 817 788 81 ILE HG2 H 0.828 0.020 1 818 788 81 ILE C C 174.438 0.400 1 819 788 81 ILE CA C 59.708 0.400 1 820 788 81 ILE CB C 41.242 0.400 1 821 788 81 ILE CD1 C 13.561 0.400 1 822 788 81 ILE CG2 C 17.361 0.400 1 823 788 81 ILE N N 117.713 0.400 1 824 789 82 GLU H H 8.232 0.020 1 825 789 82 GLU HA H 5.032 0.020 1 826 789 82 GLU HB2 H 1.845 0.020 2 827 789 82 GLU HB3 H 2.068 0.020 2 828 789 82 GLU HG2 H 2.248 0.020 2 829 789 82 GLU HG3 H 2.248 0.020 2 830 789 82 GLU C C 176.676 0.400 1 831 789 82 GLU CA C 54.850 0.400 1 832 789 82 GLU CB C 30.931 0.400 1 833 789 82 GLU N N 121.251 0.400 1 834 790 83 LEU H H 9.033 0.020 1 835 790 83 LEU HA H 4.701 0.020 1 836 790 83 LEU HB2 H 1.626 0.020 2 837 790 83 LEU HB3 H 1.626 0.020 2 838 790 83 LEU HG H 1.566 0.020 1 839 790 83 LEU C C 177.213 0.400 1 840 790 83 LEU CA C 54.367 0.400 1 841 790 83 LEU CB C 43.603 0.400 1 842 790 83 LEU N N 124.833 0.400 1 843 791 84 THR H H 8.273 0.020 1 844 791 84 THR HA H 4.556 0.020 1 845 791 84 THR HB H 4.422 0.020 1 846 791 84 THR HG2 H 1.288 0.020 1 847 791 84 THR C C 174.843 0.400 1 848 791 84 THR CA C 61.399 0.400 1 849 791 84 THR CB C 70.355 0.400 1 850 791 84 THR CG2 C 21.947 0.400 1 851 791 84 THR N N 113.774 0.400 1 852 792 85 GLN H H 8.600 0.020 1 853 792 85 GLN HA H 4.250 0.020 1 854 792 85 GLN HB2 H 2.049 0.020 2 855 792 85 GLN HB3 H 2.148 0.020 2 856 792 85 GLN HE21 H 7.465 0.020 2 857 792 85 GLN HE22 H 6.824 0.020 2 858 792 85 GLN HG2 H 2.354 0.020 2 859 792 85 GLN HG3 H 2.354 0.020 2 860 792 85 GLN C C 176.043 0.400 1 861 792 85 GLN CA C 56.846 0.400 1 862 792 85 GLN CB C 29.567 0.400 1 863 792 85 GLN CG C 34.004 0.400 1 864 792 85 GLN N N 120.798 0.400 1 865 792 85 GLN NE2 N 111.269 0.400 1 866 793 86 ALA H H 8.231 0.020 1 867 793 86 ALA HA H 4.242 0.020 1 868 793 86 ALA HB H 1.345 0.020 1 869 793 86 ALA C C 178.370 0.400 1 870 793 86 ALA CA C 53.229 0.400 1 871 793 86 ALA CB C 19.192 0.400 1 872 793 86 ALA N N 122.755 0.400 1 873 794 87 GLY H H 8.201 0.020 1 874 794 87 GLY HA2 H 3.946 0.020 2 875 794 87 GLY HA3 H 3.946 0.020 2 876 794 87 GLY C C 174.559 0.400 1 877 794 87 GLY CA C 45.693 0.400 1 878 794 87 GLY N N 106.746 0.400 1 879 795 88 LEU H H 7.930 0.020 1 880 795 88 LEU HA H 4.336 0.020 1 881 795 88 LEU HB2 H 1.598 0.020 2 882 795 88 LEU HB3 H 1.598 0.020 2 883 795 88 LEU HD1 H 0.818 0.020 2 884 795 88 LEU HD2 H 0.800 0.020 2 885 795 88 LEU HG H 1.558 0.020 1 886 795 88 LEU C C 177.631 0.400 1 887 795 88 LEU CA C 55.589 0.400 1 888 795 88 LEU CB C 42.484 0.400 1 889 795 88 LEU CD1 C 25.079 0.400 1 890 795 88 LEU CD2 C 23.704 0.400 1 891 795 88 LEU CG C 26.949 0.400 1 892 795 88 LEU N N 120.725 0.400 1 893 796 89 LYS H H 8.238 0.020 1 894 796 89 LYS HA H 4.332 0.020 1 895 796 89 LYS HB2 H 1.824 0.020 2 896 796 89 LYS HB3 H 1.903 0.020 2 897 796 89 LYS HD2 H 1.694 0.020 2 898 796 89 LYS HD3 H 1.694 0.020 2 899 796 89 LYS HE2 H 3.006 0.020 2 900 796 89 LYS HE3 H 3.006 0.020 2 901 796 89 LYS HG2 H 1.446 0.020 2 902 796 89 LYS HG3 H 1.446 0.020 2 903 796 89 LYS C C 177.146 0.400 1 904 796 89 LYS CA C 56.653 0.400 1 905 796 89 LYS CB C 32.891 0.400 1 906 796 89 LYS CD C 29.172 0.400 1 907 796 89 LYS CE C 42.267 0.400 1 908 796 89 LYS CG C 24.987 0.400 1 909 796 89 LYS N N 119.794 0.400 1 910 797 90 GLY H H 8.295 0.020 1 911 797 90 GLY HA2 H 4.030 0.020 2 912 797 90 GLY HA3 H 4.030 0.020 2 913 797 90 GLY CA C 45.580 0.400 1 914 797 90 GLY N N 108.925 0.400 1 915 798 91 SER HA H 4.598 0.020 1 916 798 91 SER HB2 H 3.923 0.020 2 917 798 91 SER HB3 H 3.923 0.020 2 918 798 91 SER C C 175.124 0.400 1 919 798 91 SER CA C 58.289 0.400 1 920 798 91 SER CB C 64.031 0.400 1 921 799 92 THR H H 8.243 0.020 1 922 799 92 THR HA H 4.439 0.020 1 923 799 92 THR HB H 4.351 0.020 1 924 799 92 THR HG2 H 1.236 0.020 1 925 799 92 THR C C 174.788 0.400 1 926 799 92 THR CA C 61.975 0.400 1 927 799 92 THR CB C 69.762 0.400 1 928 799 92 THR CG2 C 21.785 0.400 1 929 799 92 THR N N 114.569 0.400 1 930 800 93 GLU H H 8.406 0.020 1 931 800 93 GLU HA H 4.332 0.020 1 932 800 93 GLU HB2 H 1.994 0.020 2 933 800 93 GLU HB3 H 2.108 0.020 2 934 800 93 GLU HG2 H 2.303 0.020 2 935 800 93 GLU HG3 H 2.303 0.020 2 936 800 93 GLU C C 176.972 0.400 1 937 800 93 GLU CA C 57.028 0.400 1 938 800 93 GLU CB C 30.313 0.400 1 939 800 93 GLU CG C 36.374 0.400 1 940 800 93 GLU N N 122.212 0.400 1 941 801 94 GLY H H 8.437 0.020 1 942 801 94 GLY HA2 H 4.033 0.020 2 943 801 94 GLY HA3 H 4.033 0.020 2 944 801 94 GLY C C 176.211 0.400 1 945 801 94 GLY CA C 45.595 0.400 1 946 801 94 GLY N N 109.500 0.400 1 947 802 95 SER H H 8.156 0.020 1 948 802 95 SER HA H 4.495 0.020 1 949 802 95 SER HB2 H 3.897 0.020 2 950 802 95 SER HB3 H 3.897 0.020 2 951 802 95 SER C C 174.758 0.400 1 952 802 95 SER CA C 58.572 0.400 1 953 802 95 SER CB C 63.997 0.400 1 954 802 95 SER N N 114.654 0.400 1 955 803 96 GLU H H 8.559 0.020 1 956 803 96 GLU HA H 4.364 0.020 1 957 803 96 GLU HB2 H 1.969 0.020 2 958 803 96 GLU HB3 H 2.075 0.020 2 959 803 96 GLU HG2 H 2.289 0.020 2 960 803 96 GLU HG3 H 2.289 0.020 2 961 803 96 GLU C C 176.413 0.400 1 962 803 96 GLU CA C 57.011 0.400 1 963 803 96 GLU CB C 30.183 0.400 1 964 803 96 GLU CG C 36.424 0.400 1 965 803 96 GLU N N 121.712 0.400 1 966 804 97 SER H H 8.187 0.020 1 967 804 97 SER HA H 4.483 0.020 1 968 804 97 SER HB2 H 3.849 0.020 2 969 804 97 SER HB3 H 3.849 0.020 2 970 804 97 SER C C 174.324 0.400 1 971 804 97 SER CA C 58.472 0.400 1 972 804 97 SER CB C 63.958 0.400 1 973 804 97 SER N N 115.064 0.400 1 974 805 98 TYR H H 8.167 0.020 1 975 805 98 TYR HA H 4.582 0.020 1 976 805 98 TYR HB2 H 3.036 0.020 2 977 805 98 TYR HB3 H 3.111 0.020 2 978 805 98 TYR HD1 H 7.148 0.020 1 979 805 98 TYR HD2 H 7.148 0.020 1 980 805 98 TYR HE1 H 6.867 0.020 1 981 805 98 TYR HE2 H 6.867 0.020 1 982 805 98 TYR C C 175.666 0.400 1 983 805 98 TYR CA C 58.226 0.400 1 984 805 98 TYR CB C 38.891 0.400 1 985 805 98 TYR CD1 C 133.227 0.400 1 986 805 98 TYR CE1 C 118.422 0.400 1 987 805 98 TYR N N 121.718 0.400 1 988 806 99 GLU H H 8.218 0.020 1 989 806 99 GLU HA H 4.212 0.020 1 990 806 99 GLU HB2 H 1.918 0.020 2 991 806 99 GLU HB3 H 2.016 0.020 2 992 806 99 GLU HG2 H 2.244 0.020 2 993 806 99 GLU HG3 H 2.244 0.020 2 994 806 99 GLU C C 176.093 0.400 1 995 806 99 GLU CA C 56.638 0.400 1 996 806 99 GLU CB C 30.566 0.400 1 997 806 99 GLU CG C 36.447 0.400 1 998 806 99 GLU N N 120.961 0.400 1 999 807 100 GLU H H 8.218 0.020 1 1000 807 100 GLU HA H 4.167 0.020 1 1001 807 100 GLU HB2 H 2.016 0.020 2 1002 807 100 GLU HB3 H 2.092 0.020 2 1003 807 100 GLU HG2 H 2.285 0.020 2 1004 807 100 GLU HG3 H 2.285 0.020 2 1005 807 100 GLU C C 175.939 0.400 1 1006 807 100 GLU CA C 57.330 0.400 1 1007 807 100 GLU CB C 30.352 0.400 1 1008 807 100 GLU CG C 36.475 0.400 1 1009 807 100 GLU N N 120.529 0.400 1 1010 808 101 ASP H H 8.172 0.020 1 1011 808 101 ASP HA H 5.111 0.020 1 1012 808 101 ASP HB2 H 2.411 0.020 2 1013 808 101 ASP HB3 H 2.847 0.020 2 1014 808 101 ASP CA C 51.730 0.400 1 1015 808 101 ASP CB C 40.419 0.400 1 1016 808 101 ASP N N 119.141 0.400 1 1017 809 102 PRO HA H 4.464 0.020 1 1018 809 102 PRO HB2 H 2.185 0.020 2 1019 809 102 PRO HB3 H 2.185 0.020 2 1020 809 102 PRO HD2 H 3.583 0.020 2 1021 809 102 PRO HD3 H 3.583 0.020 2 1022 809 102 PRO HG2 H 1.968 0.020 2 1023 809 102 PRO HG3 H 1.968 0.020 2 1024 809 102 PRO C C 176.407 0.400 1 1025 809 102 PRO CA C 62.868 0.400 1 1026 809 102 PRO CB C 32.475 0.400 1 1027 810 103 TYR H H 8.225 0.020 1 1028 810 103 TYR HA H 4.454 0.020 1 1029 810 103 TYR HB2 H 2.653 0.020 2 1030 810 103 TYR HB3 H 2.874 0.020 2 1031 810 103 TYR HD1 H 6.857 0.020 1 1032 810 103 TYR HD2 H 6.857 0.020 1 1033 810 103 TYR HE1 H 7.091 0.020 1 1034 810 103 TYR HE2 H 7.091 0.020 1 1035 810 103 TYR C C 175.485 0.400 1 1036 810 103 TYR CA C 59.045 0.400 1 1037 810 103 TYR CB C 39.683 0.400 1 1038 810 103 TYR N N 116.051 0.400 1 1039 811 104 LEU H H 8.641 0.020 1 1040 811 104 LEU HA H 5.462 0.020 1 1041 811 104 LEU HB2 H 1.627 0.020 2 1042 811 104 LEU HB3 H 1.627 0.020 2 1043 811 104 LEU HD1 H 0.871 0.020 2 1044 811 104 LEU HD2 H 0.871 0.020 2 1045 811 104 LEU HG H 1.133 0.020 1 1046 811 104 LEU CA C 53.489 0.400 1 1047 811 104 LEU CB C 45.876 0.400 1 1048 811 104 LEU CD1 C 24.546 0.400 1 1049 811 104 LEU N N 121.289 0.400 1 1050 812 105 VAL H H 8.227 0.020 1 1051 812 105 VAL HA H 4.733 0.020 1 1052 812 105 VAL HB H 2.263 0.020 1 1053 812 105 VAL HG1 H 0.729 0.020 2 1054 812 105 VAL HG2 H 0.939 0.020 2 1055 812 105 VAL C C 175.419 0.400 1 1056 812 105 VAL CA C 58.605 0.400 1 1057 812 105 VAL CB C 36.111 0.400 1 1058 812 105 VAL CG1 C 19.107 0.400 1 1059 812 105 VAL CG2 C 22.636 0.400 1 1060 812 105 VAL N N 109.420 0.400 1 1061 813 106 VAL H H 8.756 0.020 1 1062 813 106 VAL HA H 4.152 0.020 1 1063 813 106 VAL HB H 1.978 0.020 1 1064 813 106 VAL HG1 H 1.006 0.020 2 1065 813 106 VAL HG2 H 1.056 0.020 2 1066 813 106 VAL C C 176.278 0.400 1 1067 813 106 VAL CA C 62.909 0.400 1 1068 813 106 VAL CB C 32.103 0.400 1 1069 813 106 VAL CG1 C 24.163 0.400 1 1070 813 106 VAL CG2 C 22.017 0.400 1 1071 813 106 VAL N N 120.341 0.400 1 1072 814 107 ASN H H 8.893 0.020 1 1073 814 107 ASN HA H 4.145 0.020 1 1074 814 107 ASN HB2 H 3.171 0.020 2 1075 814 107 ASN HB3 H 2.600 0.020 2 1076 814 107 ASN CA C 51.289 0.400 1 1077 814 107 ASN CB C 39.264 0.400 1 1078 814 107 ASN N N 125.640 0.400 1 1079 815 108 PRO HA H 4.461 0.020 1 1080 815 108 PRO HB2 H 2.017 0.020 2 1081 815 108 PRO HB3 H 2.406 0.020 2 1082 815 108 PRO C C 177.397 0.400 1 1083 815 108 PRO CA C 64.380 0.400 1 1084 815 108 PRO CB C 32.349 0.400 1 1085 815 108 PRO CG C 27.206 0.400 1 1086 816 109 ASN H H 8.108 0.020 1 1087 816 109 ASN HA H 4.703 0.020 1 1088 816 109 ASN HB2 H 2.624 0.020 2 1089 816 109 ASN HB3 H 2.865 0.020 2 1090 816 109 ASN HD21 H 7.587 0.020 2 1091 816 109 ASN HD22 H 6.944 0.020 2 1092 816 109 ASN C C 175.352 0.400 1 1093 816 109 ASN CA C 53.549 0.400 1 1094 816 109 ASN CB C 38.945 0.400 1 1095 816 109 ASN N N 113.849 0.400 1 1096 816 109 ASN ND2 N 112.502 0.400 1 1097 817 110 TYR H H 7.835 0.020 1 1098 817 110 TYR HA H 4.442 0.020 1 1099 817 110 TYR HB2 H 3.056 0.020 2 1100 817 110 TYR HB3 H 3.152 0.020 2 1101 817 110 TYR HD1 H 7.051 0.020 1 1102 817 110 TYR HD2 H 7.051 0.020 1 1103 817 110 TYR HE1 H 6.810 0.020 1 1104 817 110 TYR HE2 H 6.810 0.020 1 1105 817 110 TYR C C 174.914 0.400 1 1106 817 110 TYR CA C 59.070 0.400 1 1107 817 110 TYR CB C 39.129 0.400 1 1108 817 110 TYR CD1 C 133.010 0.400 1 1109 817 110 TYR CE1 C 118.598 0.400 1 1110 817 110 TYR N N 120.103 0.400 1 1111 818 111 LEU H H 7.677 0.020 1 1112 818 111 LEU HA H 4.214 0.020 1 1113 818 111 LEU HB2 H 1.479 0.020 2 1114 818 111 LEU HB3 H 1.553 0.020 2 1115 818 111 LEU HD1 H 0.846 0.020 2 1116 818 111 LEU HD2 H 0.772 0.020 2 1117 818 111 LEU HG H 1.374 0.020 1 1118 818 111 LEU C C 175.913 0.400 1 1119 818 111 LEU CA C 54.756 0.400 1 1120 818 111 LEU CB C 42.517 0.400 1 1121 818 111 LEU CD1 C 25.169 0.400 1 1122 818 111 LEU CD2 C 23.649 0.400 1 1123 818 111 LEU N N 123.657 0.400 1 1124 819 112 LEU H H 7.828 0.020 1 1125 819 112 LEU HA H 4.307 0.020 1 1126 819 112 LEU HB2 H 1.599 0.020 2 1127 819 112 LEU HB3 H 1.599 0.020 2 1128 819 112 LEU C C 176.749 0.400 1 1129 819 112 LEU CA C 55.142 0.400 1 1130 819 112 LEU CB C 42.574 0.400 1 1131 819 112 LEU CG C 27.309 0.400 1 1132 819 112 LEU N N 121.638 0.400 1 1133 820 113 GLU H H 8.170 0.020 1 1134 820 113 GLU HA H 4.342 0.020 1 1135 820 113 GLU HB2 H 1.905 0.020 2 1136 820 113 GLU HB3 H 2.091 0.020 2 1137 820 113 GLU HG2 H 2.240 0.020 2 1138 820 113 GLU HG3 H 2.240 0.020 2 1139 820 113 GLU C C 175.078 0.400 1 1140 820 113 GLU CA C 56.310 0.400 1 1141 820 113 GLU CB C 30.930 0.400 1 1142 820 113 GLU CG C 36.459 0.400 1 1143 820 113 GLU N N 121.337 0.400 1 1144 821 114 ASP H H 7.930 0.020 1 1145 821 114 ASP HA H 4.392 0.020 1 1146 821 114 ASP HB2 H 2.656 0.020 2 1147 821 114 ASP HB3 H 2.568 0.020 2 1148 821 114 ASP CA C 55.988 0.400 1 1149 821 114 ASP CB C 42.524 0.400 1 1150 821 114 ASP N N 126.219 0.400 1 stop_ save_