data_18182 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Identification and structural basis for a novel interaction between Vav2 and Arap3 ; _BMRB_accession_number 18182 _BMRB_flat_file_name bmr18182.str _Entry_type original _Submission_date 2012-01-05 _Accession_date 2012-01-05 _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 Wu Bo . . 2 Zhang Jiahai . . 3 Wu Jihui . . 4 Shi Yunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 768 "13C chemical shifts" 455 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-19 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18183 'free aS' stop_ _Original_release_date 2012-11-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Identification and structural basis for a novel interaction between Vav2 and Arap3' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22750419 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Bo . . 2 Wang Fengsong . . 3 Zhang Jiahai . . 4 Zhang Zhiyong . . 5 Qin Liying . . 6 Peng Junhui . . 7 Li Fudong . . 8 Liu Jianping . . 9 Lu Guowei . . 10 Gong Qingguo . . 11 Yao Xuebiao . . 12 Wu Jihui . . 13 Shi Yunyu . . stop_ _Journal_abbreviation 'J. Struct. Biol.' _Journal_volume 180 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 84 _Page_last 95 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Vav2 and Arap3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Vav2 $entity_1 Arap3 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13480.319 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; SRPPSREIDYTAYPWFAGNM ERQQTDNLLKSHASGTYLIR ERPAEAERFAISIKFNDEVK HIKVVEKDNWIHITEAKKFD SLLELVEYYQCHSLKESFKQ LDTTLKYPYKSRE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 659 SER 2 660 ARG 3 661 PRO 4 662 PRO 5 663 SER 6 664 ARG 7 665 GLU 8 666 ILE 9 667 ASP 10 668 TYR 11 669 THR 12 670 ALA 13 671 TYR 14 672 PRO 15 673 TRP 16 674 PHE 17 675 ALA 18 676 GLY 19 677 ASN 20 678 MET 21 679 GLU 22 680 ARG 23 681 GLN 24 682 GLN 25 683 THR 26 684 ASP 27 685 ASN 28 686 LEU 29 687 LEU 30 688 LYS 31 689 SER 32 690 HIS 33 691 ALA 34 692 SER 35 693 GLY 36 694 THR 37 695 TYR 38 696 LEU 39 697 ILE 40 698 ARG 41 699 GLU 42 700 ARG 43 701 PRO 44 702 ALA 45 703 GLU 46 704 ALA 47 705 GLU 48 706 ARG 49 707 PHE 50 708 ALA 51 709 ILE 52 710 SER 53 711 ILE 54 712 LYS 55 713 PHE 56 714 ASN 57 715 ASP 58 716 GLU 59 717 VAL 60 718 LYS 61 719 HIS 62 720 ILE 63 721 LYS 64 722 VAL 65 723 VAL 66 724 GLU 67 725 LYS 68 726 ASP 69 727 ASN 70 728 TRP 71 729 ILE 72 730 HIS 73 731 ILE 74 732 THR 75 733 GLU 76 734 ALA 77 735 LYS 78 736 LYS 79 737 PHE 80 738 ASP 81 739 SER 82 740 LEU 83 741 LEU 84 742 GLU 85 743 LEU 86 744 VAL 87 745 GLU 88 746 TYR 89 747 TYR 90 748 GLN 91 749 CYS 92 750 HIS 93 751 SER 94 752 LEU 95 753 LYS 96 754 GLU 97 755 SER 98 756 PHE 99 757 LYS 100 758 GLN 101 759 LEU 102 760 ASP 103 761 THR 104 762 THR 105 763 LEU 106 764 LYS 107 765 TYR 108 766 PRO 109 767 TYR 110 768 LYS 111 769 SER 112 770 ARG 113 771 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 18183 entity 100.00 113 100.00 100.00 1.61e-77 PDB 2DLZ "Solution Structure Of The Sh2 Domain Of Human Protein Vav-2" 94.69 118 98.13 98.13 1.16e-71 PDB 2LNW "Identification And Structural Basis For A Novel Interaction Between Vav2 And Arap3" 100.00 122 100.00 100.00 2.10e-77 PDB 2LNX "Solution Structure Of Vav2 Sh2 Domain" 100.00 122 100.00 100.00 2.10e-77 PDB 4ROJ "Crystal Structure Of The Vav2 Sh2 Domain In Complex With Txnip Phosphorylated Peptide" 92.92 117 100.00 100.00 1.77e-71 DBJ BAJ17841 "vav 2 guanine nucleotide exchange factor [synthetic construct]" 100.00 839 100.00 100.00 1.54e-70 EMBL CAE45861 "hypothetical protein [Homo sapiens]" 100.00 801 100.00 100.00 7.00e-71 EMBL CAH89854 "hypothetical protein [Pongo abelii]" 100.00 839 100.00 100.00 1.60e-70 GB AAB34377 "VAV oncogene homolog [Homo sapiens]" 100.00 878 100.00 100.00 2.47e-70 GB AAH33187 "VAV2 protein, partial [Homo sapiens]" 100.00 369 100.00 100.00 3.50e-74 GB AAI32966 "Vav 2 guanine nucleotide exchange factor [Homo sapiens]" 100.00 839 100.00 100.00 1.54e-70 GB AAI32968 "Vav 2 guanine nucleotide exchange factor [Homo sapiens]" 100.00 839 100.00 100.00 1.58e-70 GB EAW88108 "vav 2 oncogene, isoform CRA_b [Homo sapiens]" 100.00 868 100.00 100.00 2.47e-70 REF NP_001124861 "guanine nucleotide exchange factor VAV2 [Pongo abelii]" 100.00 839 100.00 100.00 1.60e-70 REF NP_001127870 "guanine nucleotide exchange factor VAV2 isoform 1 [Homo sapiens]" 100.00 878 100.00 100.00 2.21e-70 REF NP_001252562 "guanine nucleotide exchange factor VAV2 [Macaca mulatta]" 100.00 878 100.00 100.00 2.23e-70 REF NP_003362 "guanine nucleotide exchange factor VAV2 isoform 2 [Homo sapiens]" 100.00 839 100.00 100.00 1.54e-70 REF XP_003911174 "PREDICTED: guanine nucleotide exchange factor VAV2 isoform X7 [Papio anubis]" 100.00 839 100.00 100.00 1.72e-70 SP P52735 "RecName: Full=Guanine nucleotide exchange factor VAV2; Short=VAV-2" 100.00 878 100.00 100.00 2.21e-70 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1130.064 _Mol_thiol_state 'not present' _Details . _Residue_count 9 _Mol_residue_sequence EEPVXEEVG loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1405 GLU 2 1406 GLU 3 1407 PRO 4 1408 VAL 5 1409 PTR 6 1410 GLU 7 1411 GLU 8 1412 VAL 9 1413 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_PTR _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common O-PHOSPHOTYROSINE _BMRB_code . _PDB_code PTR _Standard_residue_derivative . _Molecular_mass 261.168 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 26 08:57:40 2012 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD1 CD1 C . 0 . ? CD2 CD2 C . 0 . ? CE1 CE1 C . 0 . ? CE2 CE2 C . 0 . ? CZ CZ C . 0 . ? OH OH O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? HN2 HN2 H . 0 . ? HA HA H . 0 . ? HXT HXT H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HO2P HO2P H . 0 . ? HO3P HO3P H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N HN2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? DOUB CG CD1 ? ? SING CG CD2 ? ? SING CD1 CE1 ? ? SING CD1 HD1 ? ? DOUB CD2 CE2 ? ? SING CD2 HD2 ? ? DOUB CE1 CZ ? ? SING CE1 HE1 ? ? SING CE2 CZ ? ? SING CE2 HE2 ? ? SING CZ OH ? ? SING OH P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HO2P ? ? SING O3P HO3P ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 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_1 'recombinant technology' . . . . pET28a $entity_2 'chemical synthesis' . . . . . 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_1 1 mM '[U-100% 13C; U-100% 15N]' $entity_2 3 mM 'natural abundance' 'potassium phosphate' 5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 5 mM 'natural abundance' EDTA 2 mM 'natural abundance' 'sodium chloride' 75 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_1 1 mM '[U-100% 13C; U-100% 15N]' $entity_2 3 mM 'natural abundance' 'potassium phosphate' 5 mM 'natural abundance' 'sodium chloride' 75 mM 'natural abundance' DTT 5 mM 'natural abundance' EDTA 2 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' D2O 100 % 'natural abundance' 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 . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)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_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.2 . pH pressure 1 . atm 'ionic strength' 100 . mM stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.2 . pH pressure 1 . atm 'ionic strength' 100 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCACO' '3D HBHA(CO)NH' '3D C(CO)NH' '3D 1H-15N NOESY' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Vav2 _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 1 659 1 SER HA H 4.415 0.002 1 2 659 1 SER HB2 H 3.826 0.004 2 3 659 1 SER HB3 H 3.826 0.004 2 4 659 1 SER HG H 8.467 0.004 1 5 659 1 SER C C 173.841 0.018 1 6 659 1 SER CA C 58.555 0.107 1 7 659 1 SER CB C 63.988 0.030 1 8 659 1 SER N N 117.845 0.009 1 9 660 2 ARG H H 8.295 0.003 1 10 660 2 ARG HA H 4.630 0.003 1 11 660 2 ARG HB2 H 1.676 0.002 2 12 660 2 ARG HB3 H 1.794 0.005 2 13 660 2 ARG HG2 H 1.644 0.003 2 14 660 2 ARG HG3 H 1.975 0.010 2 15 660 2 ARG HD2 H 3.132 0.004 2 16 660 2 ARG HD3 H 3.132 0.004 2 17 660 2 ARG HE H 7.223 0.001 1 18 660 2 ARG C C 173.529 0.100 1 19 660 2 ARG CA C 53.869 0.150 1 20 660 2 ARG CB C 30.428 0.150 1 21 660 2 ARG CD C 43.210 0.150 1 22 660 2 ARG N N 123.565 0.003 1 23 661 3 PRO HA H 4.672 0.003 1 24 661 3 PRO HB2 H 1.862 0.002 2 25 661 3 PRO HB3 H 2.326 0.003 2 26 661 3 PRO HG2 H 1.978 0.002 2 27 661 3 PRO HG3 H 2.000 0.001 2 28 661 3 PRO HD2 H 3.546 0.003 2 29 661 3 PRO HD3 H 3.781 0.002 2 30 662 4 PRO HA H 4.412 0.004 1 31 662 4 PRO HB2 H 1.916 0.004 2 32 662 4 PRO HB3 H 2.291 0.004 2 33 662 4 PRO HG2 H 2.004 0.002 2 34 662 4 PRO HG3 H 2.004 0.002 2 35 662 4 PRO HD2 H 3.623 0.004 2 36 662 4 PRO HD3 H 3.780 0.003 2 37 662 4 PRO C C 177.096 0.011 1 38 662 4 PRO CA C 63.296 0.020 1 39 662 4 PRO CB C 32.022 0.050 1 40 662 4 PRO CG C 27.583 0.150 1 41 662 4 PRO CD C 50.601 0.150 1 42 663 5 SER H H 8.406 0.003 1 43 663 5 SER HA H 4.374 0.003 1 44 663 5 SER HB2 H 3.884 0.006 2 45 663 5 SER HB3 H 3.884 0.006 2 46 663 5 SER C C 174.815 0.014 1 47 663 5 SER CA C 58.797 0.076 1 48 663 5 SER CB C 64.024 0.132 1 49 663 5 SER N N 116.025 0.009 1 50 664 6 ARG H H 8.371 0.002 1 51 664 6 ARG HA H 4.379 0.001 1 52 664 6 ARG HB2 H 1.762 0.004 2 53 664 6 ARG HB3 H 1.885 0.003 2 54 664 6 ARG HG2 H 1.617 0.005 2 55 664 6 ARG HG3 H 1.617 0.005 2 56 664 6 ARG HD2 H 3.177 0.005 2 57 664 6 ARG HD3 H 3.177 0.005 2 58 664 6 ARG HE H 7.270 0.001 1 59 664 6 ARG C C 175.958 0.100 1 60 664 6 ARG CA C 56.136 0.011 1 61 664 6 ARG CB C 30.712 0.048 1 62 664 6 ARG CG C 27.155 0.150 1 63 664 6 ARG CD C 43.238 0.065 1 64 664 6 ARG N N 122.062 0.030 1 65 665 7 GLU H H 8.352 0.002 1 66 665 7 GLU HA H 4.313 0.003 1 67 665 7 GLU HB2 H 1.888 0.005 2 68 665 7 GLU HB3 H 2.029 0.005 2 69 665 7 GLU HG2 H 2.235 0.002 2 70 665 7 GLU HG3 H 2.235 0.002 2 71 665 7 GLU C C 175.842 0.051 1 72 665 7 GLU CA C 56.410 0.093 1 73 665 7 GLU CB C 29.972 0.008 1 74 665 7 GLU CG C 36.056 0.150 1 75 665 7 GLU N N 122.160 0.100 1 76 666 8 ILE H H 7.938 0.004 1 77 666 8 ILE HA H 3.840 0.003 1 78 666 8 ILE HB H 1.415 0.006 1 79 666 8 ILE HG12 H 0.952 0.004 2 80 666 8 ILE HG13 H 1.378 0.005 2 81 666 8 ILE HG2 H 0.295 0.006 1 82 666 8 ILE HD1 H 0.847 0.005 1 83 666 8 ILE C C 174.373 0.010 1 84 666 8 ILE CA C 60.927 0.052 1 85 666 8 ILE CB C 39.541 0.071 1 86 666 8 ILE CG1 C 27.782 0.150 1 87 666 8 ILE CG2 C 17.127 0.089 1 88 666 8 ILE CD1 C 12.892 0.150 1 89 666 8 ILE N N 123.828 0.041 1 90 667 9 ASP H H 8.111 0.003 1 91 667 9 ASP HA H 4.619 0.003 1 92 667 9 ASP HB2 H 2.512 0.004 2 93 667 9 ASP HB3 H 2.732 0.003 2 94 667 9 ASP C C 177.006 0.006 1 95 667 9 ASP CA C 52.052 0.077 1 96 667 9 ASP CB C 40.364 0.121 1 97 667 9 ASP N N 124.338 0.005 1 98 668 10 TYR H H 8.495 0.003 1 99 668 10 TYR HA H 4.188 0.004 1 100 668 10 TYR HB2 H 1.305 0.007 2 101 668 10 TYR HB3 H 2.145 0.005 2 102 668 10 TYR HD1 H 6.855 0.005 3 103 668 10 TYR HD2 H 6.855 0.005 3 104 668 10 TYR HE1 H 6.690 0.004 3 105 668 10 TYR HE2 H 6.690 0.004 3 106 668 10 TYR C C 175.947 0.016 1 107 668 10 TYR CA C 60.683 0.087 1 108 668 10 TYR CB C 36.236 0.068 1 109 668 10 TYR N N 125.199 0.009 1 110 669 11 THR H H 8.011 0.004 1 111 669 11 THR HA H 4.148 0.004 1 112 669 11 THR HB H 4.301 0.003 1 113 669 11 THR HG2 H 1.418 0.002 1 114 669 11 THR C C 175.184 0.002 1 115 669 11 THR CA C 65.022 0.057 1 116 669 11 THR CB C 69.280 0.046 1 117 669 11 THR CG2 C 22.028 0.150 1 118 669 11 THR N N 108.617 0.025 1 119 670 12 ALA H H 7.411 0.004 1 120 670 12 ALA HA H 4.076 0.003 1 121 670 12 ALA HB H 0.982 0.004 1 122 670 12 ALA C C 177.815 0.007 1 123 670 12 ALA CA C 52.556 0.035 1 124 670 12 ALA CB C 18.874 0.026 1 125 670 12 ALA N N 121.275 0.047 1 126 671 13 TYR H H 7.538 0.003 1 127 671 13 TYR HA H 4.301 0.003 1 128 671 13 TYR HB2 H 3.789 0.007 2 129 671 13 TYR HB3 H 3.789 0.007 2 130 671 13 TYR HD1 H 7.030 0.003 3 131 671 13 TYR HD2 H 7.030 0.003 3 132 671 13 TYR HE1 H 6.723 0.003 3 133 671 13 TYR HE2 H 6.723 0.003 3 134 671 13 TYR C C 176.698 0.100 1 135 671 13 TYR CA C 56.986 0.150 1 136 671 13 TYR CB C 36.815 0.150 1 137 671 13 TYR N N 117.883 0.006 1 138 672 14 PRO HA H 4.356 0.010 1 139 672 14 PRO HB2 H 1.959 0.010 2 140 672 14 PRO HB3 H 2.171 0.005 2 141 672 14 PRO HG2 H 1.443 0.010 2 142 672 14 PRO HG3 H 1.443 0.010 2 143 672 14 PRO HD2 H 2.898 0.010 2 144 672 14 PRO HD3 H 2.898 0.010 2 145 672 14 PRO C C 173.452 0.100 1 146 672 14 PRO CA C 64.323 0.002 1 147 672 14 PRO CB C 31.223 0.076 1 148 672 14 PRO CG C 27.653 0.150 1 149 673 15 TRP H H 6.229 0.003 1 150 673 15 TRP HA H 4.792 0.005 1 151 673 15 TRP HB2 H 2.763 0.004 2 152 673 15 TRP HB3 H 3.761 0.007 2 153 673 15 TRP HD1 H 7.331 0.004 1 154 673 15 TRP HE1 H 9.485 0.003 1 155 673 15 TRP HE3 H 6.017 0.004 1 156 673 15 TRP HZ2 H 6.687 0.003 1 157 673 15 TRP HZ3 H 6.523 0.003 1 158 673 15 TRP HH2 H 6.478 0.010 1 159 673 15 TRP C C 175.577 0.007 1 160 673 15 TRP CA C 53.157 0.155 1 161 673 15 TRP CB C 32.373 0.011 1 162 673 15 TRP N N 110.044 0.023 1 163 674 16 PHE H H 7.625 0.002 1 164 674 16 PHE HA H 5.171 0.006 1 165 674 16 PHE HB2 H 2.646 0.006 2 166 674 16 PHE HB3 H 3.192 0.008 2 167 674 16 PHE HD1 H 7.203 0.003 3 168 674 16 PHE HD2 H 7.203 0.003 3 169 674 16 PHE HE1 H 7.460 0.003 3 170 674 16 PHE HE2 H 7.460 0.003 3 171 674 16 PHE HZ H 7.810 0.003 1 172 674 16 PHE C C 174.832 0.016 1 173 674 16 PHE CA C 59.872 0.040 1 174 674 16 PHE CB C 40.208 0.121 1 175 674 16 PHE N N 123.205 0.035 1 176 675 17 ALA H H 9.097 0.004 1 177 675 17 ALA HA H 4.948 0.007 1 178 675 17 ALA HB H 1.222 0.004 1 179 675 17 ALA C C 177.266 0.100 1 180 675 17 ALA CA C 51.268 0.150 1 181 675 17 ALA CB C 22.428 0.150 1 182 675 17 ALA N N 130.669 0.031 1 183 676 18 GLY HA2 H 3.511 0.003 2 184 676 18 GLY HA3 H 3.848 0.005 2 185 676 18 GLY C C 174.230 0.100 1 186 676 18 GLY CA C 46.930 0.030 1 187 677 19 ASN H H 8.682 0.004 1 188 677 19 ASN HA H 4.894 0.002 1 189 677 19 ASN HB2 H 2.809 0.002 2 190 677 19 ASN HB3 H 2.809 0.002 2 191 677 19 ASN HD21 H 7.456 0.003 2 192 677 19 ASN HD22 H 6.772 0.001 2 193 677 19 ASN C C 174.597 0.013 1 194 677 19 ASN CA C 52.942 0.062 1 195 677 19 ASN CB C 36.959 0.055 1 196 677 19 ASN N N 124.910 0.011 1 197 677 19 ASN ND2 N 110.574 0.003 1 198 678 20 MET H H 7.006 0.004 1 199 678 20 MET HA H 4.115 0.004 1 200 678 20 MET HB2 H 1.451 0.003 2 201 678 20 MET HB3 H 1.947 0.006 2 202 678 20 MET HG2 H 2.359 0.003 2 203 678 20 MET HG3 H 2.454 0.001 2 204 678 20 MET HE H 1.915 0.003 1 205 678 20 MET C C 175.451 0.001 1 206 678 20 MET CA C 56.675 0.111 1 207 678 20 MET CB C 35.208 0.053 1 208 678 20 MET CG C 31.526 0.150 1 209 678 20 MET N N 122.347 0.008 1 210 679 21 GLU H H 8.761 0.005 1 211 679 21 GLU HA H 4.291 0.005 1 212 679 21 GLU HB2 H 2.079 0.004 2 213 679 21 GLU HB3 H 2.314 0.001 2 214 679 21 GLU HG2 H 2.404 0.004 2 215 679 21 GLU HG3 H 2.443 0.010 2 216 679 21 GLU C C 178.232 0.003 1 217 679 21 GLU CA C 56.127 0.078 1 218 679 21 GLU CB C 30.932 0.075 1 219 679 21 GLU CG C 36.732 0.150 1 220 679 21 GLU N N 124.989 0.011 1 221 680 22 ARG H H 9.406 0.003 1 222 680 22 ARG HA H 3.336 0.003 1 223 680 22 ARG HB2 H 2.001 0.005 2 224 680 22 ARG HB3 H 2.001 0.005 2 225 680 22 ARG HG2 H 1.211 0.010 2 226 680 22 ARG HG3 H 1.489 0.004 2 227 680 22 ARG HD2 H 2.714 0.003 2 228 680 22 ARG HD3 H 3.034 0.002 2 229 680 22 ARG HE H 7.700 0.003 1 230 680 22 ARG C C 177.707 0.011 1 231 680 22 ARG CA C 61.044 0.040 1 232 680 22 ARG CB C 30.057 0.152 1 233 680 22 ARG CG C 27.808 0.150 1 234 680 22 ARG CD C 42.497 0.150 1 235 680 22 ARG N N 125.521 0.009 1 236 681 23 GLN H H 9.048 0.004 1 237 681 23 GLN HA H 4.065 0.003 1 238 681 23 GLN HB2 H 2.013 0.010 2 239 681 23 GLN HB3 H 2.133 0.008 2 240 681 23 GLN HG2 H 2.373 0.004 2 241 681 23 GLN HG3 H 2.373 0.004 2 242 681 23 GLN HE21 H 7.530 0.010 2 243 681 23 GLN HE22 H 6.954 0.001 2 244 681 23 GLN C C 178.317 0.006 1 245 681 23 GLN CA C 59.751 0.042 1 246 681 23 GLN CB C 27.784 0.076 1 247 681 23 GLN CG C 33.938 0.073 1 248 681 23 GLN N N 117.320 0.008 1 249 682 24 GLN H H 7.182 0.003 1 250 682 24 GLN HA H 4.121 0.004 1 251 682 24 GLN HB2 H 2.015 0.004 2 252 682 24 GLN HB3 H 2.141 0.002 2 253 682 24 GLN HG2 H 2.524 0.005 2 254 682 24 GLN HG3 H 2.524 0.005 2 255 682 24 GLN HE21 H 7.535 0.001 2 256 682 24 GLN HE22 H 6.965 0.010 2 257 682 24 GLN C C 178.190 0.020 1 258 682 24 GLN CA C 58.743 0.118 1 259 682 24 GLN CB C 28.315 0.034 1 260 682 24 GLN CG C 33.813 0.051 1 261 682 24 GLN N N 117.909 0.008 1 262 682 24 GLN NE2 N 111.794 0.100 1 263 683 25 THR H H 7.903 0.002 1 264 683 25 THR HA H 3.681 0.004 1 265 683 25 THR HB H 4.328 0.004 1 266 683 25 THR HG2 H 1.230 0.004 1 267 683 25 THR C C 175.786 0.100 1 268 683 25 THR CA C 67.702 0.150 1 269 683 25 THR CB C 68.000 0.150 1 270 683 25 THR CG2 C 22.631 0.150 1 271 683 25 THR N N 117.007 0.038 1 272 684 26 ASP H H 8.430 0.003 1 273 684 26 ASP HA H 4.280 0.002 1 274 684 26 ASP HB2 H 2.581 0.005 2 275 684 26 ASP HB3 H 2.722 0.005 2 276 684 26 ASP C C 178.269 0.007 1 277 684 26 ASP CA C 58.136 0.036 1 278 684 26 ASP CB C 40.178 0.076 1 279 684 26 ASP N N 122.824 0.030 1 280 685 27 ASN H H 7.647 0.004 1 281 685 27 ASN HA H 4.359 0.004 1 282 685 27 ASN HB2 H 2.825 0.003 2 283 685 27 ASN HB3 H 2.825 0.003 2 284 685 27 ASN HD21 H 7.631 0.010 2 285 685 27 ASN HD22 H 7.023 0.002 2 286 685 27 ASN C C 177.065 0.025 1 287 685 27 ASN CA C 55.911 0.040 1 288 685 27 ASN CB C 38.506 0.150 1 289 685 27 ASN N N 115.634 0.001 1 290 686 28 LEU H H 8.093 0.003 1 291 686 28 LEU HA H 4.229 0.003 1 292 686 28 LEU HB2 H 1.600 0.007 2 293 686 28 LEU HB3 H 1.779 0.004 2 294 686 28 LEU HG H 1.696 0.006 1 295 686 28 LEU HD1 H 0.929 0.003 2 296 686 28 LEU HD2 H 0.780 0.005 2 297 686 28 LEU C C 179.502 0.004 1 298 686 28 LEU CA C 57.980 0.048 1 299 686 28 LEU CB C 43.103 0.093 1 300 686 28 LEU CG C 27.231 0.150 1 301 686 28 LEU CD1 C 25.306 0.150 2 302 686 28 LEU CD2 C 25.306 0.150 2 303 686 28 LEU N N 120.594 0.009 1 304 687 29 LEU H H 8.386 0.003 1 305 687 29 LEU HA H 4.082 0.006 1 306 687 29 LEU HB2 H 1.231 0.005 2 307 687 29 LEU HB3 H 1.878 0.005 2 308 687 29 LEU HG H 1.632 0.014 1 309 687 29 LEU HD1 H 0.577 0.002 2 310 687 29 LEU HD2 H 0.511 0.005 2 311 687 29 LEU C C 178.910 0.017 1 312 687 29 LEU CA C 56.917 0.024 1 313 687 29 LEU CB C 42.898 0.065 1 314 687 29 LEU CG C 27.297 0.034 1 315 687 29 LEU CD1 C 22.929 0.150 2 316 687 29 LEU CD2 C 26.785 0.150 2 317 687 29 LEU N N 115.149 0.045 1 318 688 30 LYS H H 7.752 0.004 1 319 688 30 LYS HA H 3.738 0.004 1 320 688 30 LYS HB2 H 1.905 0.004 2 321 688 30 LYS HB3 H 2.064 0.005 2 322 688 30 LYS HG2 H 1.461 0.002 2 323 688 30 LYS HG3 H 1.517 0.007 2 324 688 30 LYS HD2 H 1.683 0.003 2 325 688 30 LYS HD3 H 1.683 0.003 2 326 688 30 LYS HE2 H 2.990 0.002 2 327 688 30 LYS HE3 H 2.990 0.002 2 328 688 30 LYS C C 177.312 0.004 1 329 688 30 LYS CA C 60.509 0.012 1 330 688 30 LYS CB C 32.090 0.058 1 331 688 30 LYS CG C 24.745 0.150 1 332 688 30 LYS CD C 29.419 0.150 1 333 688 30 LYS CE C 42.134 0.150 1 334 688 30 LYS N N 118.086 0.025 1 335 689 31 SER H H 7.629 0.003 1 336 689 31 SER HA H 4.460 0.003 1 337 689 31 SER HB2 H 3.800 0.007 2 338 689 31 SER HB3 H 3.860 0.007 2 339 689 31 SER C C 174.501 0.032 1 340 689 31 SER CA C 58.559 0.020 1 341 689 31 SER CB C 63.528 0.006 1 342 689 31 SER N N 111.134 0.038 1 343 690 32 HIS H H 7.701 0.003 1 344 690 32 HIS HA H 4.656 0.003 1 345 690 32 HIS HB2 H 3.058 0.004 2 346 690 32 HIS HB3 H 3.631 0.013 2 347 690 32 HIS HD2 H 7.560 0.016 1 348 690 32 HIS HE1 H 8.245 0.010 1 349 690 32 HIS C C 173.855 0.005 1 350 690 32 HIS CA C 56.219 0.049 1 351 690 32 HIS CB C 31.924 0.040 1 352 690 32 HIS N N 120.218 0.035 1 353 691 33 ALA H H 8.453 0.002 1 354 691 33 ALA HA H 4.331 0.003 1 355 691 33 ALA HB H 1.398 0.003 1 356 691 33 ALA C C 179.494 0.004 1 357 691 33 ALA CA C 51.850 0.098 1 358 691 33 ALA CB C 20.045 0.041 1 359 691 33 ALA N N 120.317 0.025 1 360 692 34 SER H H 8.997 0.005 1 361 692 34 SER HA H 4.089 0.008 1 362 692 34 SER HB2 H 3.978 0.005 2 363 692 34 SER HB3 H 4.045 0.010 2 364 692 34 SER C C 175.336 0.100 1 365 692 34 SER CA C 60.531 0.150 1 366 692 34 SER CB C 63.308 0.027 1 367 692 34 SER N N 117.274 0.011 1 368 693 35 GLY H H 9.926 0.005 1 369 693 35 GLY HA2 H 3.689 0.006 2 370 693 35 GLY HA3 H 4.655 0.006 2 371 693 35 GLY C C 174.808 0.011 1 372 693 35 GLY CA C 44.859 0.126 1 373 693 35 GLY N N 113.573 0.009 1 374 694 36 THR H H 8.291 0.006 1 375 694 36 THR HA H 5.962 0.008 1 376 694 36 THR HB H 4.067 0.004 1 377 694 36 THR HG2 H 1.099 0.004 1 378 694 36 THR C C 173.297 0.020 1 379 694 36 THR CA C 63.612 0.024 1 380 694 36 THR CB C 68.317 0.070 1 381 694 36 THR CG2 C 21.266 0.150 1 382 694 36 THR N N 121.076 0.020 1 383 695 37 TYR H H 8.805 0.003 1 384 695 37 TYR HA H 6.041 0.004 1 385 695 37 TYR HB2 H 2.668 0.006 2 386 695 37 TYR HB3 H 2.808 0.011 2 387 695 37 TYR HD1 H 7.337 0.005 3 388 695 37 TYR HD2 H 7.337 0.005 3 389 695 37 TYR HE1 H 7.127 0.003 3 390 695 37 TYR HE2 H 7.127 0.003 3 391 695 37 TYR C C 171.831 0.028 1 392 695 37 TYR CA C 55.305 0.101 1 393 695 37 TYR CB C 44.359 0.104 1 394 695 37 TYR N N 123.616 0.022 1 395 696 38 LEU H H 9.105 0.004 1 396 696 38 LEU HA H 5.159 0.005 1 397 696 38 LEU HB2 H 1.367 0.006 2 398 696 38 LEU HB3 H 1.673 0.004 2 399 696 38 LEU HG H 1.547 0.003 1 400 696 38 LEU HD1 H 0.612 0.005 2 401 696 38 LEU HD2 H 0.182 0.005 2 402 696 38 LEU C C 174.331 0.021 1 403 696 38 LEU CA C 53.857 0.077 1 404 696 38 LEU CB C 46.893 0.058 1 405 696 38 LEU CG C 24.886 0.009 1 406 696 38 LEU CD1 C 26.973 0.150 2 407 696 38 LEU CD2 C 23.608 0.150 2 408 696 38 LEU N N 115.449 0.021 1 409 697 39 ILE H H 9.313 0.004 1 410 697 39 ILE HA H 5.419 0.008 1 411 697 39 ILE HB H 2.319 0.007 1 412 697 39 ILE HG12 H 1.347 0.007 2 413 697 39 ILE HG13 H 1.443 0.006 2 414 697 39 ILE HG2 H 1.000 0.004 1 415 697 39 ILE HD1 H 0.710 0.007 1 416 697 39 ILE C C 173.476 0.037 1 417 697 39 ILE CA C 59.925 0.013 1 418 697 39 ILE CB C 38.929 0.092 1 419 697 39 ILE CG1 C 31.118 0.150 1 420 697 39 ILE CG2 C 20.359 0.150 1 421 697 39 ILE CD1 C 13.854 0.150 1 422 697 39 ILE N N 121.911 0.011 1 423 698 40 ARG H H 9.185 0.006 1 424 698 40 ARG HA H 5.292 0.005 1 425 698 40 ARG HB2 H 1.207 0.006 2 426 698 40 ARG HB3 H 2.072 0.003 2 427 698 40 ARG HG2 H 1.242 0.007 2 428 698 40 ARG HG3 H 1.242 0.007 2 429 698 40 ARG HD2 H 2.713 0.005 2 430 698 40 ARG HD3 H 3.286 0.008 2 431 698 40 ARG HE H 6.805 0.001 1 432 698 40 ARG C C 174.308 0.037 1 433 698 40 ARG CA C 51.744 0.048 1 434 698 40 ARG CB C 33.517 0.031 1 435 698 40 ARG CG C 26.359 0.150 1 436 698 40 ARG CD C 43.626 0.150 1 437 698 40 ARG N N 122.878 0.023 1 438 699 41 GLU H H 8.634 0.003 1 439 699 41 GLU HA H 4.897 0.005 1 440 699 41 GLU HB2 H 1.899 0.005 2 441 699 41 GLU HB3 H 1.899 0.005 2 442 699 41 GLU HG2 H 2.258 0.005 2 443 699 41 GLU HG3 H 2.258 0.005 2 444 699 41 GLU C C 176.242 0.013 1 445 699 41 GLU CA C 55.526 0.077 1 446 699 41 GLU CB C 32.133 0.150 1 447 699 41 GLU CG C 37.169 0.150 1 448 699 41 GLU N N 122.405 0.022 1 449 700 42 ARG H H 8.639 0.004 1 450 700 42 ARG HA H 4.694 0.002 1 451 700 42 ARG HB2 H 1.746 0.001 2 452 700 42 ARG HB3 H 1.879 0.010 2 453 700 42 ARG HG2 H 1.295 0.007 2 454 700 42 ARG HG3 H 1.295 0.007 2 455 700 42 ARG HD2 H 2.912 0.002 2 456 700 42 ARG HD3 H 3.092 0.003 2 457 700 42 ARG HE H 8.648 0.004 1 458 700 42 ARG CB C 31.573 0.150 1 459 700 42 ARG N N 125.045 0.034 1 460 701 43 PRO HA H 4.414 0.005 1 461 701 43 PRO HB2 H 2.060 0.002 2 462 701 43 PRO HB3 H 2.060 0.002 2 463 701 43 PRO HG2 H 1.958 0.005 2 464 701 43 PRO HG3 H 1.958 0.005 2 465 701 43 PRO HD2 H 3.608 0.004 2 466 701 43 PRO HD3 H 3.608 0.004 2 467 701 43 PRO CA C 63.411 0.056 1 468 701 43 PRO CB C 30.498 0.073 1 469 702 44 ALA H H 7.888 0.002 1 470 702 44 ALA HA H 4.322 0.004 1 471 702 44 ALA HB H 1.291 0.006 1 472 702 44 ALA C C 176.610 0.100 1 473 702 44 ALA CA C 51.802 0.092 1 474 702 44 ALA CB C 20.391 0.067 1 475 702 44 ALA N N 122.925 0.008 1 476 703 45 GLU H H 7.947 0.005 1 477 703 45 GLU HA H 4.237 0.006 1 478 703 45 GLU HB2 H 1.884 0.007 2 479 703 45 GLU HB3 H 2.025 0.003 2 480 703 45 GLU HG2 H 2.201 0.007 2 481 703 45 GLU HG3 H 2.239 0.010 2 482 703 45 GLU C C 176.717 0.025 1 483 703 45 GLU CA C 56.901 0.150 1 484 703 45 GLU CB C 30.086 0.150 1 485 703 45 GLU CG C 35.551 0.150 1 486 703 45 GLU N N 118.799 0.035 1 487 704 46 ALA H H 8.643 0.003 1 488 704 46 ALA HA H 4.415 0.003 1 489 704 46 ALA HB H 1.465 0.002 1 490 704 46 ALA C C 178.411 0.016 1 491 704 46 ALA CA C 54.208 0.176 1 492 704 46 ALA CB C 19.243 0.056 1 493 704 46 ALA N N 120.631 0.045 1 494 705 47 GLU H H 7.635 0.003 1 495 705 47 GLU HA H 4.856 0.006 1 496 705 47 GLU HB2 H 1.690 0.004 2 497 705 47 GLU HB3 H 1.864 0.002 2 498 705 47 GLU HG2 H 2.137 0.004 2 499 705 47 GLU HG3 H 2.137 0.004 2 500 705 47 GLU C C 176.013 0.012 1 501 705 47 GLU CA C 54.858 0.150 1 502 705 47 GLU CB C 26.834 0.063 1 503 705 47 GLU CG C 35.839 0.150 1 504 705 47 GLU N N 119.341 0.005 1 505 706 48 ARG H H 7.971 0.005 1 506 706 48 ARG HA H 3.965 0.003 1 507 706 48 ARG HB2 H 1.312 0.006 2 508 706 48 ARG HB3 H 1.581 0.005 2 509 706 48 ARG HG2 H 1.065 0.005 2 510 706 48 ARG HG3 H 1.214 0.006 2 511 706 48 ARG HD2 H 3.091 0.004 2 512 706 48 ARG HD3 H 3.044 0.003 2 513 706 48 ARG HE H 7.423 0.010 1 514 706 48 ARG C C 175.117 0.007 1 515 706 48 ARG CA C 58.155 0.041 1 516 706 48 ARG CB C 31.691 0.150 1 517 706 48 ARG CG C 27.226 0.150 1 518 706 48 ARG CD C 43.630 0.150 1 519 706 48 ARG N N 120.355 0.033 1 520 707 49 PHE H H 7.857 0.003 1 521 707 49 PHE HA H 5.905 0.003 1 522 707 49 PHE HB2 H 2.416 0.008 2 523 707 49 PHE HB3 H 3.090 0.006 2 524 707 49 PHE HD1 H 6.941 0.005 3 525 707 49 PHE HD2 H 6.941 0.005 3 526 707 49 PHE HE1 H 7.343 0.006 3 527 707 49 PHE HE2 H 7.343 0.006 3 528 707 49 PHE HZ H 6.170 0.002 1 529 707 49 PHE C C 173.875 0.008 1 530 707 49 PHE CA C 54.809 0.078 1 531 707 49 PHE CB C 43.075 0.035 1 532 707 49 PHE N N 112.251 0.034 1 533 708 50 ALA H H 9.205 0.004 1 534 708 50 ALA HA H 5.454 0.007 1 535 708 50 ALA HB H 1.276 0.005 1 536 708 50 ALA C C 176.479 0.020 1 537 708 50 ALA CA C 50.842 0.089 1 538 708 50 ALA CB C 21.718 0.024 1 539 708 50 ALA N N 118.730 0.011 1 540 709 51 ILE H H 9.262 0.006 1 541 709 51 ILE HA H 4.746 0.007 1 542 709 51 ILE HB H 1.484 0.005 1 543 709 51 ILE HG12 H 1.479 0.005 2 544 709 51 ILE HG13 H 1.479 0.005 2 545 709 51 ILE HG2 H 0.648 0.006 1 546 709 51 ILE HD1 H 0.485 0.004 1 547 709 51 ILE C C 175.120 0.013 1 548 709 51 ILE CA C 60.723 0.086 1 549 709 51 ILE CB C 40.300 0.116 1 550 709 51 ILE CG1 C 27.420 0.150 1 551 709 51 ILE CG2 C 17.063 0.150 1 552 709 51 ILE CD1 C 13.907 0.150 1 553 709 51 ILE N N 120.037 0.017 1 554 710 52 SER H H 9.205 0.004 1 555 710 52 SER HA H 5.468 0.004 1 556 710 52 SER HB2 H 3.237 0.008 2 557 710 52 SER HB3 H 3.237 0.008 2 558 710 52 SER C C 172.060 0.025 1 559 710 52 SER CA C 57.761 0.022 1 560 710 52 SER CB C 65.210 0.021 1 561 710 52 SER N N 125.087 0.016 1 562 711 53 ILE H H 8.989 0.003 1 563 711 53 ILE HA H 5.195 0.005 1 564 711 53 ILE HB H 1.266 0.005 1 565 711 53 ILE HG12 H 1.457 0.003 2 566 711 53 ILE HG13 H 0.805 0.008 2 567 711 53 ILE HG2 H 0.558 0.003 1 568 711 53 ILE HD1 H 0.628 0.005 1 569 711 53 ILE C C 173.070 0.048 1 570 711 53 ILE CA C 57.755 0.074 1 571 711 53 ILE CB C 43.357 0.079 1 572 711 53 ILE CG1 C 28.435 0.150 1 573 711 53 ILE CG2 C 15.167 0.150 1 574 711 53 ILE CD1 C 16.787 0.150 1 575 711 53 ILE N N 121.753 0.019 1 576 712 54 LYS H H 8.894 0.004 1 577 712 54 LYS HA H 4.787 0.005 1 578 712 54 LYS HB2 H 1.454 0.001 2 579 712 54 LYS HB3 H 2.325 0.008 2 580 712 54 LYS HG2 H 1.692 0.005 2 581 712 54 LYS HG3 H 0.983 0.002 2 582 712 54 LYS HD2 H 1.540 0.004 2 583 712 54 LYS HD3 H 1.679 0.005 2 584 712 54 LYS HE2 H 3.089 0.003 2 585 712 54 LYS HE3 H 3.019 0.005 2 586 712 54 LYS C C 174.899 0.019 1 587 712 54 LYS CA C 54.367 0.063 1 588 712 54 LYS CB C 33.358 0.096 1 589 712 54 LYS CG C 23.973 0.150 1 590 712 54 LYS CD C 27.849 0.150 1 591 712 54 LYS CE C 43.073 0.150 1 592 712 54 LYS N N 128.758 0.035 1 593 713 55 PHE H H 9.464 0.002 1 594 713 55 PHE HA H 4.947 0.008 1 595 713 55 PHE HB2 H 2.501 0.006 2 596 713 55 PHE HB3 H 2.786 0.006 2 597 713 55 PHE HD1 H 7.085 0.005 3 598 713 55 PHE HD2 H 7.085 0.005 3 599 713 55 PHE HE1 H 7.383 0.006 3 600 713 55 PHE HE2 H 7.383 0.006 3 601 713 55 PHE C C 174.238 0.024 1 602 713 55 PHE CA C 58.165 0.044 1 603 713 55 PHE CB C 41.804 0.062 1 604 713 55 PHE N N 130.369 0.027 1 605 714 56 ASN H H 8.411 0.003 1 606 714 56 ASN HA H 3.941 0.003 1 607 714 56 ASN HB2 H 2.537 0.005 2 608 714 56 ASN HB3 H 2.758 0.007 2 609 714 56 ASN HD21 H 7.223 0.001 2 610 714 56 ASN HD22 H 6.528 0.002 2 611 714 56 ASN C C 174.003 0.031 1 612 714 56 ASN CA C 55.230 0.150 1 613 714 56 ASN CB C 36.140 0.128 1 614 714 56 ASN N N 125.719 0.010 1 615 715 57 ASP H H 8.542 0.004 1 616 715 57 ASP HA H 4.621 0.004 1 617 715 57 ASP HB2 H 2.703 0.001 2 618 715 57 ASP HB3 H 2.869 0.003 2 619 715 57 ASP C C 174.858 0.100 1 620 715 57 ASP CA C 55.182 0.016 1 621 715 57 ASP CB C 40.886 0.139 1 622 715 57 ASP N N 117.904 0.021 1 623 716 58 GLU H H 7.889 0.003 1 624 716 58 GLU HA H 4.710 0.003 1 625 716 58 GLU HB2 H 2.042 0.010 2 626 716 58 GLU HB3 H 1.963 0.004 2 627 716 58 GLU HG2 H 2.251 0.004 2 628 716 58 GLU HG3 H 2.251 0.004 2 629 716 58 GLU C C 173.755 0.008 1 630 716 58 GLU CA C 55.047 0.052 1 631 716 58 GLU CB C 34.286 0.205 1 632 716 58 GLU CG C 36.248 0.150 1 633 716 58 GLU N N 118.707 0.004 1 634 717 59 VAL H H 8.536 0.002 1 635 717 59 VAL HA H 4.430 0.003 1 636 717 59 VAL HB H 1.985 0.003 1 637 717 59 VAL HG1 H 0.427 0.005 2 638 717 59 VAL HG2 H 0.818 0.003 2 639 717 59 VAL C C 175.071 0.016 1 640 717 59 VAL CA C 62.139 0.018 1 641 717 59 VAL CB C 32.071 0.070 1 642 717 59 VAL CG1 C 22.613 0.150 2 643 717 59 VAL CG2 C 22.613 0.150 2 644 717 59 VAL N N 120.720 0.007 1 645 718 60 LYS H H 8.879 0.002 1 646 718 60 LYS HA H 4.555 0.006 1 647 718 60 LYS HB2 H 1.452 0.010 2 648 718 60 LYS HB3 H 1.526 0.005 2 649 718 60 LYS HG2 H 1.260 0.005 2 650 718 60 LYS HG3 H 1.442 0.004 2 651 718 60 LYS HD2 H 1.541 0.006 2 652 718 60 LYS HD3 H 1.541 0.006 2 653 718 60 LYS HE2 H 2.933 0.007 2 654 718 60 LYS HE3 H 2.933 0.007 2 655 718 60 LYS C C 174.578 0.025 1 656 718 60 LYS CA C 53.117 0.029 1 657 718 60 LYS CB C 34.906 0.051 1 658 718 60 LYS CG C 24.592 0.150 1 659 718 60 LYS CD C 28.502 0.150 1 660 718 60 LYS CE C 42.329 0.150 1 661 718 60 LYS N N 126.403 0.018 1 662 719 61 HIS H H 8.846 0.004 1 663 719 61 HIS HA H 5.510 0.007 1 664 719 61 HIS HB2 H 2.546 0.007 2 665 719 61 HIS HB3 H 2.546 0.007 2 666 719 61 HIS HD2 H 6.854 0.004 1 667 719 61 HIS HE1 H 7.336 0.001 1 668 719 61 HIS C C 174.482 0.041 1 669 719 61 HIS CA C 55.418 0.074 1 670 719 61 HIS CB C 35.249 0.047 1 671 719 61 HIS N N 118.939 0.006 1 672 720 62 ILE H H 9.704 0.005 1 673 720 62 ILE HA H 4.508 0.006 1 674 720 62 ILE HB H 1.491 0.005 1 675 720 62 ILE HG12 H 0.235 0.006 2 676 720 62 ILE HG13 H 1.037 0.007 2 677 720 62 ILE HG2 H 0.805 0.004 1 678 720 62 ILE HD1 H 0.041 0.004 1 679 720 62 ILE C C 176.221 0.008 1 680 720 62 ILE CA C 60.283 0.085 1 681 720 62 ILE CB C 43.022 0.102 1 682 720 62 ILE CG1 C 27.248 0.150 1 683 720 62 ILE CG2 C 18.807 0.150 1 684 720 62 ILE CD1 C 14.100 0.150 1 685 720 62 ILE N N 124.690 0.026 1 686 721 63 LYS H H 9.100 0.002 1 687 721 63 LYS HA H 4.135 0.004 1 688 721 63 LYS HB2 H 1.257 0.004 2 689 721 63 LYS HB3 H 1.591 0.004 2 690 721 63 LYS HG2 H 0.525 0.004 2 691 721 63 LYS HG3 H 0.895 0.005 2 692 721 63 LYS HD2 H 1.005 0.004 2 693 721 63 LYS HD3 H 1.248 0.004 2 694 721 63 LYS HE2 H 1.972 0.004 2 695 721 63 LYS HE3 H 1.972 0.004 2 696 721 63 LYS C C 174.783 0.023 1 697 721 63 LYS CA C 58.478 0.150 1 698 721 63 LYS CB C 33.853 0.075 1 699 721 63 LYS CG C 26.770 0.150 1 700 721 63 LYS CD C 29.289 0.150 1 701 721 63 LYS CE C 41.129 0.150 1 702 721 63 LYS N N 126.432 0.006 1 703 722 64 VAL H H 8.441 0.007 1 704 722 64 VAL HA H 4.258 0.006 1 705 722 64 VAL HB H 2.040 0.006 1 706 722 64 VAL HG1 H 0.765 0.004 2 707 722 64 VAL HG2 H 0.655 0.005 2 708 722 64 VAL C C 174.284 0.051 1 709 722 64 VAL CA C 61.293 0.152 1 710 722 64 VAL CB C 32.546 0.038 1 711 722 64 VAL CG1 C 22.835 0.150 2 712 722 64 VAL CG2 C 20.205 0.150 2 713 722 64 VAL N N 123.306 0.008 1 714 723 65 VAL H H 8.462 0.006 1 715 723 65 VAL HA H 4.282 0.003 1 716 723 65 VAL HB H 1.144 0.009 1 717 723 65 VAL HG1 H 0.774 0.004 2 718 723 65 VAL HG2 H 0.820 0.003 2 719 723 65 VAL C C 174.127 0.036 1 720 723 65 VAL CA C 61.600 0.093 1 721 723 65 VAL CB C 33.717 0.079 1 722 723 65 VAL CG1 C 21.793 0.150 2 723 723 65 VAL CG2 C 21.793 0.150 2 724 723 65 VAL N N 126.508 0.026 1 725 724 66 GLU H H 8.619 0.003 1 726 724 66 GLU HA H 5.226 0.003 1 727 724 66 GLU HB2 H 1.893 0.006 2 728 724 66 GLU HB3 H 2.147 0.003 2 729 724 66 GLU HG2 H 2.156 0.005 2 730 724 66 GLU HG3 H 2.156 0.005 2 731 724 66 GLU C C 175.409 0.001 1 732 724 66 GLU CA C 54.751 0.070 1 733 724 66 GLU CB C 32.457 0.078 1 734 724 66 GLU CG C 36.635 0.150 1 735 724 66 GLU N N 126.016 0.007 1 736 725 67 LYS H H 8.740 0.004 1 737 725 67 LYS HA H 4.497 0.003 1 738 725 67 LYS HB2 H 1.737 0.006 2 739 725 67 LYS HB3 H 1.859 0.004 2 740 725 67 LYS HG2 H 1.409 0.006 2 741 725 67 LYS HG3 H 1.409 0.006 2 742 725 67 LYS HD2 H 1.696 0.001 2 743 725 67 LYS HD3 H 1.696 0.001 2 744 725 67 LYS HE2 H 2.988 0.003 2 745 725 67 LYS HE3 H 2.988 0.003 2 746 725 67 LYS C C 175.635 0.005 1 747 725 67 LYS CA C 56.423 0.013 1 748 725 67 LYS CB C 35.298 0.082 1 749 725 67 LYS CG C 24.783 0.150 1 750 725 67 LYS CD C 29.198 0.150 1 751 725 67 LYS CE C 42.087 0.150 1 752 725 67 LYS N N 125.813 0.010 1 753 726 68 ASP H H 9.499 0.005 1 754 726 68 ASP HA H 4.231 0.004 1 755 726 68 ASP HB2 H 2.945 0.003 2 756 726 68 ASP HB3 H 2.945 0.003 2 757 726 68 ASP C C 174.341 0.024 1 758 726 68 ASP CA C 56.253 0.005 1 759 726 68 ASP CB C 39.499 0.030 1 760 726 68 ASP N N 126.958 0.025 1 761 727 69 ASN H H 8.348 0.004 1 762 727 69 ASN HA H 4.265 0.005 1 763 727 69 ASN HB2 H 2.426 0.006 2 764 727 69 ASN HB3 H 2.618 0.005 2 765 727 69 ASN HD21 H 7.237 0.009 2 766 727 69 ASN HD22 H 6.702 0.010 2 767 727 69 ASN C C 173.779 0.011 1 768 727 69 ASN CA C 54.689 0.081 1 769 727 69 ASN CB C 37.488 0.080 1 770 727 69 ASN N N 110.214 0.013 1 771 728 70 TRP H H 8.063 0.003 1 772 728 70 TRP HA H 5.390 0.005 1 773 728 70 TRP HB2 H 3.270 0.005 2 774 728 70 TRP HB3 H 3.473 0.006 2 775 728 70 TRP HD1 H 7.275 0.004 1 776 728 70 TRP HE1 H 10.106 0.003 1 777 728 70 TRP HE3 H 7.556 0.005 1 778 728 70 TRP HZ2 H 7.373 0.006 1 779 728 70 TRP HZ3 H 7.035 0.001 1 780 728 70 TRP HH2 H 7.105 0.004 1 781 728 70 TRP C C 174.779 0.044 1 782 728 70 TRP CA C 56.826 0.058 1 783 728 70 TRP CB C 33.555 0.053 1 784 728 70 TRP N N 119.007 0.026 1 785 729 71 ILE H H 9.378 0.005 1 786 729 71 ILE HA H 5.600 0.005 1 787 729 71 ILE HB H 1.669 0.004 1 788 729 71 ILE HG12 H 1.008 0.005 2 789 729 71 ILE HG13 H 1.454 0.003 2 790 729 71 ILE HG2 H 0.737 0.005 1 791 729 71 ILE HD1 H 0.819 0.003 1 792 729 71 ILE C C 175.184 0.017 1 793 729 71 ILE CA C 58.854 0.091 1 794 729 71 ILE CB C 41.596 0.138 1 795 729 71 ILE CG1 C 28.755 0.150 1 796 729 71 ILE CG2 C 17.089 0.150 1 797 729 71 ILE CD1 C 13.729 0.150 1 798 729 71 ILE N N 122.016 0.014 1 799 730 72 HIS H H 9.048 0.004 1 800 730 72 HIS HA H 5.218 0.004 1 801 730 72 HIS HB2 H 3.479 0.004 2 802 730 72 HIS HB3 H 3.578 0.004 2 803 730 72 HIS HD2 H 6.373 0.003 1 804 730 72 HIS HE1 H 7.828 0.001 1 805 730 72 HIS C C 173.714 0.009 1 806 730 72 HIS CA C 56.642 0.003 1 807 730 72 HIS CB C 32.505 0.046 1 808 730 72 HIS N N 121.306 0.005 1 809 731 73 ILE H H 9.499 0.004 1 810 731 73 ILE HA H 4.937 0.004 1 811 731 73 ILE HB H 2.106 0.007 1 812 731 73 ILE HG12 H 1.209 0.009 2 813 731 73 ILE HG13 H 1.574 0.005 2 814 731 73 ILE HG2 H 1.002 0.004 1 815 731 73 ILE HD1 H 0.301 0.008 1 816 731 73 ILE C C 175.442 0.100 1 817 731 73 ILE CA C 62.678 0.037 1 818 731 73 ILE CB C 39.406 0.050 1 819 731 73 ILE CG1 C 26.251 0.150 1 820 731 73 ILE CG2 C 19.754 0.150 1 821 731 73 ILE CD1 C 13.899 0.150 1 822 731 73 ILE N N 112.643 0.010 1 823 732 74 THR H H 8.364 0.003 1 824 732 74 THR HA H 4.812 0.005 1 825 732 74 THR HB H 4.185 0.003 1 826 732 74 THR HG2 H 1.258 0.007 1 827 732 74 THR C C 173.575 0.010 1 828 732 74 THR CA C 58.650 0.035 1 829 732 74 THR CB C 70.177 0.157 1 830 732 74 THR CG2 C 21.246 0.150 1 831 732 74 THR N N 115.752 0.039 1 832 733 75 GLU H H 8.754 0.003 1 833 733 75 GLU HA H 2.973 0.003 1 834 733 75 GLU HB2 H 1.745 0.003 2 835 733 75 GLU HB3 H 1.745 0.003 2 836 733 75 GLU HG2 H 1.929 0.007 2 837 733 75 GLU HG3 H 2.095 0.009 2 838 733 75 GLU C C 175.609 0.011 1 839 733 75 GLU CA C 58.662 0.007 1 840 733 75 GLU CB C 28.963 0.059 1 841 733 75 GLU CG C 36.480 0.150 1 842 733 75 GLU N N 124.910 0.031 1 843 734 76 ALA H H 7.538 0.004 1 844 734 76 ALA HA H 3.940 0.005 1 845 734 76 ALA HB H 1.226 0.003 1 846 734 76 ALA C C 177.033 0.015 1 847 734 76 ALA CA C 53.174 0.024 1 848 734 76 ALA CB C 19.493 0.040 1 849 734 76 ALA N N 117.847 0.008 1 850 735 77 LYS H H 7.326 0.002 1 851 735 77 LYS HA H 4.111 0.004 1 852 735 77 LYS HB2 H 1.298 0.006 2 853 735 77 LYS HB3 H 1.444 0.005 2 854 735 77 LYS HG2 H 0.698 0.003 2 855 735 77 LYS HG3 H 0.743 0.004 2 856 735 77 LYS HD2 H 1.162 0.002 2 857 735 77 LYS HD3 H 1.162 0.002 2 858 735 77 LYS HE2 H 2.323 0.002 2 859 735 77 LYS HE3 H 2.323 0.002 2 860 735 77 LYS C C 171.953 0.027 1 861 735 77 LYS CA C 54.699 0.020 1 862 735 77 LYS CB C 33.285 0.032 1 863 735 77 LYS CG C 24.053 0.150 1 864 735 77 LYS CD C 27.910 0.083 1 865 735 77 LYS CE C 41.663 0.150 1 866 735 77 LYS N N 119.518 0.002 1 867 736 78 LYS H H 7.893 0.003 1 868 736 78 LYS HA H 4.731 0.006 1 869 736 78 LYS HB2 H 1.059 0.002 2 870 736 78 LYS HB3 H 1.347 0.006 2 871 736 78 LYS HG2 H 0.879 0.010 2 872 736 78 LYS HG3 H 0.879 0.010 2 873 736 78 LYS HD2 H 0.732 0.006 2 874 736 78 LYS HD3 H 0.940 0.004 2 875 736 78 LYS HE2 H 2.109 0.005 2 876 736 78 LYS HE3 H 2.109 0.005 2 877 736 78 LYS C C 175.123 0.008 1 878 736 78 LYS CA C 55.110 0.028 1 879 736 78 LYS CB C 34.970 0.149 1 880 736 78 LYS CG C 24.639 0.150 1 881 736 78 LYS CD C 28.834 0.150 1 882 736 78 LYS CE C 41.536 0.134 1 883 736 78 LYS N N 123.200 0.003 1 884 737 79 PHE H H 9.121 0.005 1 885 737 79 PHE HA H 4.994 0.004 1 886 737 79 PHE HB2 H 2.839 0.006 2 887 737 79 PHE HB3 H 3.333 0.006 2 888 737 79 PHE HD1 H 7.314 0.008 3 889 737 79 PHE HD2 H 7.314 0.008 3 890 737 79 PHE HE1 H 7.037 0.004 3 891 737 79 PHE HE2 H 7.037 0.004 3 892 737 79 PHE HZ H 5.858 0.004 1 893 737 79 PHE C C 175.595 0.004 1 894 737 79 PHE CA C 56.941 0.058 1 895 737 79 PHE CB C 43.413 0.019 1 896 737 79 PHE N N 117.916 0.016 1 897 738 80 ASP H H 9.377 0.002 1 898 738 80 ASP HA H 4.749 0.004 1 899 738 80 ASP HB2 H 2.685 0.004 2 900 738 80 ASP HB3 H 2.863 0.004 2 901 738 80 ASP C C 176.035 0.010 1 902 738 80 ASP CA C 55.712 0.050 1 903 738 80 ASP CB C 41.709 0.016 1 904 738 80 ASP N N 119.341 0.001 1 905 739 81 SER H H 7.447 0.003 1 906 739 81 SER HA H 4.694 0.004 1 907 739 81 SER HB2 H 4.047 0.003 2 908 739 81 SER HB3 H 4.159 0.005 2 909 739 81 SER C C 173.791 0.009 1 910 739 81 SER CA C 57.049 0.026 1 911 739 81 SER CB C 66.839 0.111 1 912 739 81 SER N N 108.518 0.016 1 913 740 82 LEU H H 8.969 0.003 1 914 740 82 LEU HA H 3.811 0.007 1 915 740 82 LEU HB2 H 1.015 0.005 2 916 740 82 LEU HB3 H 1.429 0.005 2 917 740 82 LEU HG H 1.003 0.004 1 918 740 82 LEU HD1 H 0.221 0.005 2 919 740 82 LEU HD2 H -0.369 0.003 2 920 740 82 LEU C C 177.172 0.008 1 921 740 82 LEU CA C 57.469 0.051 1 922 740 82 LEU CB C 40.819 0.033 1 923 740 82 LEU CG C 26.070 0.150 1 924 740 82 LEU CD1 C 22.921 0.150 2 925 740 82 LEU CD2 C 22.921 0.150 2 926 740 82 LEU N N 122.626 0.016 1 927 741 83 LEU H H 7.770 0.003 1 928 741 83 LEU HA H 3.837 0.003 1 929 741 83 LEU HB2 H 1.605 0.007 2 930 741 83 LEU HB3 H 1.730 0.008 2 931 741 83 LEU HG H 1.570 0.004 1 932 741 83 LEU HD1 H 0.898 0.006 2 933 741 83 LEU HD2 H 0.898 0.006 2 934 741 83 LEU C C 177.492 0.008 1 935 741 83 LEU CA C 58.264 0.028 1 936 741 83 LEU CB C 41.929 0.102 1 937 741 83 LEU CG C 27.101 0.030 1 938 741 83 LEU CD1 C 24.884 0.150 2 939 741 83 LEU CD2 C 24.884 0.150 2 940 741 83 LEU N N 116.575 0.010 1 941 742 84 GLU H H 7.585 0.002 1 942 742 84 GLU HA H 3.918 0.004 1 943 742 84 GLU HB2 H 2.145 0.003 2 944 742 84 GLU HB3 H 2.316 0.005 2 945 742 84 GLU HG2 H 2.428 0.004 2 946 742 84 GLU HG3 H 2.428 0.004 2 947 742 84 GLU C C 178.252 0.001 1 948 742 84 GLU CA C 59.391 0.026 1 949 742 84 GLU CB C 30.459 0.012 1 950 742 84 GLU CG C 37.571 0.150 1 951 742 84 GLU N N 116.865 0.010 1 952 743 85 LEU H H 7.109 0.004 1 953 743 85 LEU HA H 2.028 0.006 1 954 743 85 LEU HB2 H 1.147 0.006 2 955 743 85 LEU HB3 H 1.683 0.006 2 956 743 85 LEU HG H 0.998 0.004 1 957 743 85 LEU HD1 H 0.591 0.003 2 958 743 85 LEU HD2 H 0.591 0.003 2 959 743 85 LEU C C 177.335 0.002 1 960 743 85 LEU CA C 58.771 0.068 1 961 743 85 LEU CB C 41.827 0.048 1 962 743 85 LEU CG C 28.894 0.150 1 963 743 85 LEU CD1 C 24.489 0.150 2 964 743 85 LEU CD2 C 24.489 0.150 2 965 743 85 LEU N N 122.164 0.011 1 966 744 86 VAL H H 8.113 0.007 1 967 744 86 VAL HA H 2.853 0.005 1 968 744 86 VAL HB H 1.395 0.006 1 969 744 86 VAL HG1 H -0.146 0.006 2 970 744 86 VAL HG2 H -0.109 0.003 2 971 744 86 VAL C C 177.675 0.010 1 972 744 86 VAL CA C 67.113 0.081 1 973 744 86 VAL CB C 31.111 0.070 1 974 744 86 VAL CG1 C 22.700 0.150 2 975 744 86 VAL CG2 C 20.790 1.245 2 976 744 86 VAL N N 119.760 0.022 1 977 745 87 GLU H H 8.182 0.005 1 978 745 87 GLU HA H 3.762 0.003 1 979 745 87 GLU HB2 H 1.934 0.010 2 980 745 87 GLU HB3 H 1.934 0.010 2 981 745 87 GLU HG2 H 2.131 0.002 2 982 745 87 GLU HG3 H 2.556 0.004 2 983 745 87 GLU C C 179.530 0.009 1 984 745 87 GLU CA C 59.438 0.061 1 985 745 87 GLU CB C 29.152 0.089 1 986 745 87 GLU CG C 36.967 0.150 1 987 745 87 GLU N N 116.227 0.012 1 988 746 88 TYR H H 7.795 0.003 1 989 746 88 TYR HA H 4.147 0.004 1 990 746 88 TYR HB2 H 2.605 0.008 2 991 746 88 TYR HB3 H 2.846 0.002 2 992 746 88 TYR HD1 H 6.904 0.003 3 993 746 88 TYR HD2 H 6.904 0.003 3 994 746 88 TYR HE1 H 6.184 0.003 3 995 746 88 TYR HE2 H 6.184 0.003 3 996 746 88 TYR C C 179.970 0.009 1 997 746 88 TYR CA C 62.730 0.017 1 998 746 88 TYR CB C 38.888 0.066 1 999 746 88 TYR N N 120.102 0.013 1 1000 747 89 TYR H H 7.798 0.003 1 1001 747 89 TYR HA H 5.101 0.005 1 1002 747 89 TYR HB2 H 2.415 0.006 2 1003 747 89 TYR HB3 H 3.312 0.008 2 1004 747 89 TYR HD1 H 7.235 0.009 3 1005 747 89 TYR HD2 H 7.235 0.009 3 1006 747 89 TYR HE1 H 6.888 0.003 3 1007 747 89 TYR HE2 H 6.888 0.003 3 1008 747 89 TYR C C 175.885 0.017 1 1009 747 89 TYR CA C 61.177 0.060 1 1010 747 89 TYR CB C 37.043 0.072 1 1011 747 89 TYR N N 118.508 0.012 1 1012 748 90 GLN H H 7.925 0.003 1 1013 748 90 GLN HA H 4.420 0.008 1 1014 748 90 GLN HB2 H 1.975 0.003 2 1015 748 90 GLN HB3 H 2.344 0.005 2 1016 748 90 GLN HG2 H 2.595 0.006 2 1017 748 90 GLN HG3 H 2.728 0.002 2 1018 748 90 GLN HE21 H 7.032 0.002 2 1019 748 90 GLN HE22 H 6.602 0.002 2 1020 748 90 GLN C C 177.767 0.007 1 1021 748 90 GLN CA C 57.871 0.036 1 1022 748 90 GLN CB C 28.673 0.074 1 1023 748 90 GLN CG C 33.425 0.150 1 1024 748 90 GLN N N 118.741 0.020 1 1025 748 90 GLN NE2 N 108.739 0.012 1 1026 749 91 CYS H H 7.178 0.003 1 1027 749 91 CYS HA H 4.641 0.003 1 1028 749 91 CYS HB2 H 2.696 0.006 2 1029 749 91 CYS HB3 H 2.696 0.006 2 1030 749 91 CYS C C 173.010 0.023 1 1031 749 91 CYS CA C 57.535 0.024 1 1032 749 91 CYS CB C 29.179 0.006 1 1033 749 91 CYS N N 111.312 0.015 1 1034 750 92 HIS H H 7.540 0.002 1 1035 750 92 HIS HA H 4.368 0.004 1 1036 750 92 HIS HB2 H 2.070 0.005 2 1037 750 92 HIS HB3 H 2.875 0.005 2 1038 750 92 HIS HD2 H 6.904 0.003 1 1039 750 92 HIS HE1 H 8.379 0.001 1 1040 750 92 HIS C C 171.815 0.027 1 1041 750 92 HIS CA C 55.168 0.057 1 1042 750 92 HIS CB C 29.306 0.046 1 1043 750 92 HIS N N 120.386 0.005 1 1044 751 93 SER H H 8.397 0.003 1 1045 751 93 SER HA H 3.812 0.004 1 1046 751 93 SER HB2 H 3.664 0.008 2 1047 751 93 SER HB3 H 3.938 0.008 2 1048 751 93 SER C C 176.644 0.012 1 1049 751 93 SER CA C 58.040 0.027 1 1050 751 93 SER CB C 62.954 0.035 1 1051 751 93 SER N N 113.259 0.012 1 1052 752 94 LEU H H 8.580 0.003 1 1053 752 94 LEU HA H 4.140 0.005 1 1054 752 94 LEU HB2 H 1.512 0.007 2 1055 752 94 LEU HB3 H 2.323 0.007 2 1056 752 94 LEU HG H 1.634 0.006 1 1057 752 94 LEU HD1 H 0.503 0.005 2 1058 752 94 LEU HD2 H 0.266 0.004 2 1059 752 94 LEU C C 177.462 0.004 1 1060 752 94 LEU CA C 58.300 0.012 1 1061 752 94 LEU CB C 42.332 0.060 1 1062 752 94 LEU CG C 28.265 0.150 1 1063 752 94 LEU CD1 C 23.967 0.150 2 1064 752 94 LEU CD2 C 23.967 0.150 2 1065 752 94 LEU N N 127.166 0.031 1 1066 753 95 LYS H H 8.322 0.005 1 1067 753 95 LYS HA H 4.440 0.005 1 1068 753 95 LYS HB2 H 1.456 0.003 2 1069 753 95 LYS HB3 H 1.736 0.005 2 1070 753 95 LYS HG2 H 1.269 0.007 2 1071 753 95 LYS HG3 H 1.269 0.007 2 1072 753 95 LYS HE2 H 2.917 0.004 2 1073 753 95 LYS HE3 H 2.917 0.004 2 1074 753 95 LYS C C 176.253 0.100 1 1075 753 95 LYS CA C 57.229 0.050 1 1076 753 95 LYS CB C 32.344 0.001 1 1077 753 95 LYS CG C 24.552 0.150 1 1078 753 95 LYS CD C 29.672 0.150 1 1079 753 95 LYS CE C 42.139 0.150 1 1080 753 95 LYS N N 122.119 0.002 1 1081 754 96 GLU H H 7.197 0.003 1 1082 754 96 GLU HA H 4.137 0.002 1 1083 754 96 GLU HB2 H 2.213 0.006 2 1084 754 96 GLU HB3 H 2.213 0.006 2 1085 754 96 GLU HG2 H 2.436 0.004 2 1086 754 96 GLU HG3 H 2.607 0.004 2 1087 754 96 GLU C C 176.704 0.003 1 1088 754 96 GLU CA C 58.489 0.019 1 1089 754 96 GLU CB C 29.677 0.100 1 1090 754 96 GLU CG C 35.041 0.150 1 1091 754 96 GLU N N 115.310 0.052 1 1092 755 97 SER H H 7.857 0.003 1 1093 755 97 SER HA H 4.583 0.004 1 1094 755 97 SER HB2 H 3.351 0.032 2 1095 755 97 SER HB3 H 3.459 0.006 2 1096 755 97 SER C C 171.185 0.031 1 1097 755 97 SER CA C 59.569 0.156 1 1098 755 97 SER CB C 66.435 0.073 1 1099 755 97 SER N N 113.390 0.006 1 1100 756 98 PHE H H 8.409 0.004 1 1101 756 98 PHE HA H 4.765 0.004 1 1102 756 98 PHE HB2 H 2.725 0.007 2 1103 756 98 PHE HB3 H 2.961 0.003 2 1104 756 98 PHE HD1 H 7.186 0.003 3 1105 756 98 PHE HD2 H 7.186 0.003 3 1106 756 98 PHE HE1 H 6.943 0.004 3 1107 756 98 PHE HE2 H 6.943 0.004 3 1108 756 98 PHE C C 175.774 0.014 1 1109 756 98 PHE CA C 56.871 0.039 1 1110 756 98 PHE CB C 39.711 0.041 1 1111 756 98 PHE N N 121.328 0.020 1 1112 757 99 LYS H H 8.602 0.004 1 1113 757 99 LYS HA H 4.113 0.002 1 1114 757 99 LYS HB2 H 1.913 0.001 2 1115 757 99 LYS HB3 H 1.876 0.004 2 1116 757 99 LYS HG2 H 1.462 0.004 2 1117 757 99 LYS HG3 H 1.462 0.004 2 1118 757 99 LYS HD2 H 1.686 0.003 2 1119 757 99 LYS HD3 H 1.686 0.003 2 1120 757 99 LYS HE2 H 2.972 0.003 2 1121 757 99 LYS HE3 H 2.972 0.003 2 1122 757 99 LYS C C 177.188 0.004 1 1123 757 99 LYS CA C 59.736 0.078 1 1124 757 99 LYS CB C 32.356 0.031 1 1125 757 99 LYS CG C 24.847 0.150 1 1126 757 99 LYS CD C 29.192 0.150 1 1127 757 99 LYS CE C 42.136 0.150 1 1128 757 99 LYS N N 121.656 0.039 1 1129 758 100 GLN H H 9.139 0.003 1 1130 758 100 GLN HA H 4.383 0.004 1 1131 758 100 GLN HB2 H 2.046 0.006 2 1132 758 100 GLN HB3 H 2.299 0.003 2 1133 758 100 GLN HG2 H 2.290 0.003 2 1134 758 100 GLN HG3 H 2.517 0.003 2 1135 758 100 GLN HE21 H 7.533 0.010 2 1136 758 100 GLN HE22 H 6.965 0.010 2 1137 758 100 GLN C C 175.849 0.013 1 1138 758 100 GLN CA C 55.832 0.045 1 1139 758 100 GLN CB C 28.317 0.034 1 1140 758 100 GLN CG C 34.037 0.150 1 1141 758 100 GLN N N 115.783 0.025 1 1142 758 100 GLN NE2 N 111.787 0.100 1 1143 759 101 LEU H H 7.924 0.002 1 1144 759 101 LEU HA H 3.692 0.006 1 1145 759 101 LEU HB2 H 1.258 0.004 2 1146 759 101 LEU HB3 H 1.258 0.004 2 1147 759 101 LEU HG H 1.238 0.005 1 1148 759 101 LEU HD1 H 0.287 0.005 2 1149 759 101 LEU HD2 H 0.224 0.004 2 1150 759 101 LEU C C 173.219 0.013 1 1151 759 101 LEU CA C 52.448 0.054 1 1152 759 101 LEU CB C 41.988 0.108 1 1153 759 101 LEU CG C 26.593 0.005 1 1154 759 101 LEU CD1 C 25.218 0.150 2 1155 759 101 LEU CD2 C 25.218 0.150 2 1156 759 101 LEU N N 124.876 0.032 1 1157 760 102 ASP H H 6.564 0.004 1 1158 760 102 ASP HA H 4.567 0.003 1 1159 760 102 ASP HB2 H 2.316 0.003 2 1160 760 102 ASP HB3 H 3.036 0.003 2 1161 760 102 ASP C C 173.570 0.011 1 1162 760 102 ASP CA C 51.875 0.082 1 1163 760 102 ASP CB C 39.029 0.055 1 1164 760 102 ASP N N 119.263 0.010 1 1165 761 103 THR H H 7.699 0.003 1 1166 761 103 THR HA H 4.701 0.004 1 1167 761 103 THR HB H 4.035 0.001 1 1168 761 103 THR HG1 H 6.281 0.005 1 1169 761 103 THR HG2 H 0.612 0.004 1 1170 761 103 THR C C 172.169 0.013 1 1171 761 103 THR CA C 60.491 0.036 1 1172 761 103 THR CB C 69.358 0.082 1 1173 761 103 THR CG2 C 19.420 0.150 1 1174 761 103 THR N N 117.311 0.034 1 1175 762 104 THR H H 7.300 0.002 1 1176 762 104 THR HA H 4.603 0.005 1 1177 762 104 THR HB H 4.053 0.003 1 1178 762 104 THR HG2 H 0.746 0.002 1 1179 762 104 THR C C 175.647 0.100 1 1180 762 104 THR CA C 60.899 0.063 1 1181 762 104 THR CB C 70.981 0.075 1 1182 762 104 THR CG2 C 21.925 0.150 1 1183 762 104 THR N N 114.211 0.011 1 1184 763 105 LEU H H 8.113 0.005 1 1185 763 105 LEU HA H 3.523 0.006 1 1186 763 105 LEU HB2 H 0.878 0.005 2 1187 763 105 LEU HB3 H 0.878 0.005 2 1188 763 105 LEU HG H 1.088 0.004 1 1189 763 105 LEU HD1 H 0.389 0.006 2 1190 763 105 LEU HD2 H 0.120 0.004 2 1191 763 105 LEU C C 174.500 0.019 1 1192 763 105 LEU CA C 54.155 0.069 1 1193 763 105 LEU CB C 35.747 0.131 1 1194 763 105 LEU CG C 24.856 0.015 1 1195 763 105 LEU CD1 C 22.583 0.150 2 1196 763 105 LEU CD2 C 25.824 0.150 2 1197 763 105 LEU N N 117.640 0.017 1 1198 764 106 LYS H H 7.181 0.003 1 1199 764 106 LYS HA H 4.011 0.005 1 1200 764 106 LYS HB2 H 0.977 0.005 2 1201 764 106 LYS HB3 H 1.291 0.004 2 1202 764 106 LYS HG2 H 0.414 0.006 2 1203 764 106 LYS HG3 H 0.884 0.006 2 1204 764 106 LYS HD2 H 1.428 0.006 2 1205 764 106 LYS HD3 H 1.454 0.002 2 1206 764 106 LYS HE2 H 2.854 0.003 2 1207 764 106 LYS HE3 H 2.854 0.003 2 1208 764 106 LYS C C 176.781 0.006 1 1209 764 106 LYS CA C 59.888 0.004 1 1210 764 106 LYS CB C 35.223 0.047 1 1211 764 106 LYS CG C 24.957 0.150 1 1212 764 106 LYS CD C 29.865 0.150 1 1213 764 106 LYS CE C 42.183 0.150 1 1214 764 106 LYS N N 127.345 0.023 1 1215 765 107 TYR H H 7.877 0.003 1 1216 765 107 TYR HA H 5.521 0.003 1 1217 765 107 TYR HB2 H 3.036 0.005 2 1218 765 107 TYR HB3 H 3.036 0.005 2 1219 765 107 TYR HD1 H 7.115 0.006 3 1220 765 107 TYR HD2 H 7.115 0.006 3 1221 765 107 TYR HE1 H 6.910 0.004 3 1222 765 107 TYR HE2 H 6.910 0.004 3 1223 765 107 TYR C C 172.106 0.100 1 1224 765 107 TYR CA C 52.621 0.150 1 1225 765 107 TYR CB C 40.518 0.150 1 1226 765 107 TYR N N 115.756 0.031 1 1227 766 108 PRO HA H 3.673 0.005 1 1228 766 108 PRO HB2 H 1.866 0.010 2 1229 766 108 PRO HB3 H 1.960 0.010 2 1230 766 108 PRO HG2 H 2.234 0.006 2 1231 766 108 PRO HG3 H 2.369 0.004 2 1232 766 108 PRO HD2 H 3.957 0.001 2 1233 766 108 PRO HD3 H 4.297 0.004 2 1234 766 108 PRO C C 180.696 0.100 1 1235 766 108 PRO CA C 62.611 0.150 1 1236 766 108 PRO CD C 50.705 0.002 1 1237 767 109 TYR H H 8.341 0.003 1 1238 767 109 TYR HA H 3.817 0.004 1 1239 767 109 TYR HB2 H 2.463 0.005 2 1240 767 109 TYR HB3 H 2.707 0.005 2 1241 767 109 TYR HD1 H 6.953 0.005 3 1242 767 109 TYR HD2 H 6.953 0.005 3 1243 767 109 TYR HE1 H 6.479 0.003 3 1244 767 109 TYR HE2 H 6.479 0.003 3 1245 767 109 TYR C C 174.769 0.016 1 1246 767 109 TYR CA C 61.183 0.150 1 1247 767 109 TYR CB C 37.467 0.042 1 1248 767 109 TYR N N 122.570 0.100 1 1249 768 110 LYS H H 6.790 0.003 1 1250 768 110 LYS HA H 3.942 0.006 1 1251 768 110 LYS HB2 H 1.523 0.003 2 1252 768 110 LYS HB3 H 1.465 0.002 2 1253 768 110 LYS HG2 H 0.388 0.007 2 1254 768 110 LYS HG3 H 0.719 0.003 2 1255 768 110 LYS HD2 H 1.450 0.001 2 1256 768 110 LYS HD3 H 1.450 0.001 2 1257 768 110 LYS HE2 H 2.908 0.006 2 1258 768 110 LYS HE3 H 2.908 0.006 2 1259 768 110 LYS C C 176.453 0.010 1 1260 768 110 LYS CA C 56.901 0.015 1 1261 768 110 LYS CB C 32.581 0.075 1 1262 768 110 LYS CG C 24.970 0.150 1 1263 768 110 LYS CD C 29.399 0.150 1 1264 768 110 LYS CE C 42.197 0.150 1 1265 768 110 LYS N N 118.398 0.026 1 1266 769 111 SER H H 7.769 0.002 1 1267 769 111 SER HA H 4.384 0.004 1 1268 769 111 SER HB2 H 3.911 0.006 2 1269 769 111 SER HB3 H 3.911 0.006 2 1270 769 111 SER C C 174.124 0.025 1 1271 769 111 SER CA C 58.802 0.093 1 1272 769 111 SER CB C 64.206 0.067 1 1273 769 111 SER N N 114.260 0.009 1 1274 770 112 ARG H H 8.109 0.002 1 1275 770 112 ARG HA H 4.378 0.001 1 1276 770 112 ARG HB2 H 1.690 0.002 2 1277 770 112 ARG HB3 H 1.933 0.007 2 1278 770 112 ARG HG2 H 1.577 0.005 2 1279 770 112 ARG HG3 H 1.694 0.002 2 1280 770 112 ARG HD2 H 3.073 0.006 2 1281 770 112 ARG HD3 H 3.073 0.006 2 1282 770 112 ARG C C 175.139 0.005 1 1283 770 112 ARG CA C 55.628 0.098 1 1284 770 112 ARG CB C 30.935 0.060 1 1285 770 112 ARG CG C 26.734 0.150 1 1286 770 112 ARG CD C 43.059 0.150 1 1287 770 112 ARG N N 122.485 0.014 1 1288 771 113 GLU H H 7.933 0.005 1 1289 771 113 GLU HA H 4.076 0.003 1 1290 771 113 GLU HB2 H 1.851 0.003 2 1291 771 113 GLU HB3 H 2.005 0.009 2 1292 771 113 GLU HG2 H 2.180 0.002 2 1293 771 113 GLU HG3 H 2.180 0.002 2 1294 771 113 GLU C C 180.992 0.100 1 1295 771 113 GLU CA C 58.333 0.150 1 1296 771 113 GLU N N 126.820 0.004 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCACO' '3D HBHA(CO)NH' '3D C(CO)NH' '3D 1H-15N NOESY' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Arap3 _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 1405 2 GLU HA H 4.631 0.002 1 2 1405 2 GLU HB2 H 1.859 0.001 2 3 1405 2 GLU HB3 H 2.080 0.002 2 4 1405 2 GLU HG2 H 2.316 0.002 2 5 1405 2 GLU HG3 H 2.316 0.002 2 6 1406 3 PRO HA H 4.375 0.002 1 7 1406 3 PRO HB2 H 1.714 0.004 2 8 1406 3 PRO HB3 H 2.178 0.003 2 9 1406 3 PRO HG2 H 1.995 0.005 2 10 1406 3 PRO HG3 H 1.995 0.005 2 11 1406 3 PRO HD2 H 3.694 0.003 2 12 1406 3 PRO HD3 H 3.791 0.003 2 13 1407 4 VAL HA H 4.028 0.003 1 14 1407 4 VAL HB H 1.943 0.003 1 15 1407 4 VAL HG1 H 0.871 0.003 2 16 1407 4 VAL HG2 H 0.826 0.003 2 17 1408 5 PTR HA H 4.605 0.002 1 18 1408 5 PTR HB2 H 2.885 0.005 1 19 1408 5 PTR HB3 H 3.045 0.005 1 20 1408 5 PTR HD1 H 7.066 0.003 1 21 1408 5 PTR HD2 H 7.126 0.004 1 22 1408 5 PTR HE1 H 6.800 0.004 1 23 1408 5 PTR HE2 H 6.998 0.007 1 24 1409 6 GLU H H 8.326 0.002 1 25 1409 6 GLU HA H 4.246 0.004 1 26 1409 6 GLU HB2 H 1.954 0.004 2 27 1409 6 GLU HB3 H 1.846 0.005 2 28 1409 6 GLU HG2 H 2.184 0.005 2 29 1409 6 GLU HG3 H 2.184 0.005 2 30 1410 7 GLU HA H 4.136 0.001 1 31 1410 7 GLU HB2 H 1.966 0.010 2 32 1410 7 GLU HB3 H 1.966 0.010 2 33 1410 7 GLU HG2 H 3.564 0.003 2 34 1410 7 GLU HG3 H 3.564 0.003 2 35 1411 8 VAL HA H 4.135 0.004 1 36 1411 8 VAL HB H 2.087 0.005 1 37 1411 8 VAL HG1 H 0.919 0.004 2 38 1411 8 VAL HG2 H 0.919 0.004 2 stop_ save_