data_30368 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of Brd3 ET domain bound to Brg1 peptide ; _BMRB_accession_number 30368 _BMRB_flat_file_name bmr30368.str _Entry_type original _Submission_date 2017-10-28 _Accession_date 2017-10-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Szyszka T. N. . 2 Wai D. C. . 3 Mackay J. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 573 "13C chemical shifts" 352 "15N chemical shifts" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-08 update BMRB 'update entry citation' 2018-03-14 original author 'original release' stop_ _Original_release_date 2018-02-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The BRD3 ET domain recognizes a short peptide motif through a mechanism that is conserved across chromatin remodelers and transcriptional regulators ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29567837 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wai Dorothy . . 2 Szyszka Taylor N. . 3 Campbell Amy E. . 4 Kwong Cherry . . 5 Wilkinson-White Lorna E. . 6 Silva Ana . . 7 Low Jason . . 8 Kwan Ann H. . 9 Gamsjaeger Roland . . 10 Chalmers James D. . 11 Patrick Wayne M. . 12 Lu Bin . . 13 Vakoc Christopher R. . 14 Blobel Gerd A. . 15 Mackay Joel P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 293 _Journal_issue 19 _Journal_ISSN 1083-351X _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7160 _Page_last 7175 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Bromodomain-containing protein 3, Brd3_ET' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _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 10179.387 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; ASASYDSEEEEEGLPMSYDE KRQLSLDINRLPGEKLGRVV HIIQSREPSLRDSNPDEIEI DFETLKPTTLRELERYVKSC LQKKQRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 557 ALA 2 558 SER 3 559 ALA 4 560 SER 5 561 TYR 6 562 ASP 7 563 SER 8 564 GLU 9 565 GLU 10 566 GLU 11 567 GLU 12 568 GLU 13 569 GLY 14 570 LEU 15 571 PRO 16 572 MET 17 573 SER 18 574 TYR 19 575 ASP 20 576 GLU 21 577 LYS 22 578 ARG 23 579 GLN 24 580 LEU 25 581 SER 26 582 LEU 27 583 ASP 28 584 ILE 29 585 ASN 30 586 ARG 31 587 LEU 32 588 PRO 33 589 GLY 34 590 GLU 35 591 LYS 36 592 LEU 37 593 GLY 38 594 ARG 39 595 VAL 40 596 VAL 41 597 HIS 42 598 ILE 43 599 ILE 44 600 GLN 45 601 SER 46 602 ARG 47 603 GLU 48 604 PRO 49 605 SER 50 606 LEU 51 607 ARG 52 608 ASP 53 609 SER 54 610 ASN 55 611 PRO 56 612 ASP 57 613 GLU 58 614 ILE 59 615 GLU 60 616 ILE 61 617 ASP 62 618 PHE 63 619 GLU 64 620 THR 65 621 LEU 66 622 LYS 67 623 PRO 68 624 THR 69 625 THR 70 626 LEU 71 627 ARG 72 628 GLU 73 629 LEU 74 630 GLU 75 631 ARG 76 632 TYR 77 633 VAL 78 634 LYS 79 635 SER 80 636 CYS 81 637 LEU 82 638 GLN 83 639 LYS 84 640 LYS 85 641 GLN 86 642 ARG 87 643 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1417.829 _Mol_thiol_state 'not present' _Details . _Residue_count 12 _Mol_residue_sequence ; RSVKVKIKLGRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1591 ARG 2 1592 SER 3 1593 VAL 4 1594 LYS 5 1595 VAL 6 1596 LYS 7 1597 ILE 8 1598 LYS 9 1599 LEU 10 1600 GLY 11 1601 ARG 12 1602 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'BRD3, KIAA0043, RING3L' $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' . Escherichia coli . . $entity_2 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '300 uM Brd3_ET, 600 uM Brg1, 0.02 % Roche Complete Protease Inhibitor, 166 uM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 300 uM 'natural abundance' $entity_1 600 uM 'natural abundance' 'Roche Complete Protease Inhibitor' 0.02 % 'natural abundance' DSS 166 uM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-15N] Brd3_ET, 600 uM Brg1, 0.02 % Roche Complete Protease Inhibitor, 166 uM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 300 uM [U-15N] $entity_1 600 uM 'natural abundance' 'Roche Complete Protease Inhibitor' 0.02 % 'natural abundance' DSS 166 uM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-13C; U-15N] Brd3_ET, 600 uM Brg1, 0.02 % Roche Complete Protease Inhibitor, 166 uM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 300 uM '[U-13C; U-15N]' $entity_1 600 uM 'natural abundance' 'Roche Complete Protease Inhibitor' 0.02 % 'natural abundance' DSS 166 uM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_13C/15N_(F2/F1)_Filtered,_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/15N (F2/F1) Filtered, 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_13C/15N_(F2/F1)_Filtered,_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C/15N (F2/F1) Filtered, 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_13C/15N_(F2/F1)_Filtered,_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C/15N (F2/F1) Filtered, 1H-1H TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_H(CC)(CO)HN_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)HN' _Sample_label $sample_3 save_ save_3D_HNCA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 50 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 internal indirect . . . 0.25 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D 13C/15N (F2/F1) Filtered, 1H-1H NOESY' '2D 13C/15N (F2/F1) Filtered, 1H-1H NOESY' '2D 13C/15N (F2/F1) Filtered, 1H-1H TOCSY' '3D HCCH-TOCSY' '3D HCCH-COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D HNCO' '2D 1H-15N HSQC' '3D HN(CA)CO' '3D H(CC)(CO)HN' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_3 $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 557 1 ALA HA H 4.338 0.00 1 2 557 1 ALA HB H 1.373 0.00 1 3 557 1 ALA C C 177.065 0.00 1 4 557 1 ALA CA C 52.947 0.02 1 5 557 1 ALA CB C 19.517 0.04 1 6 558 2 SER H H 8.166 0.01 1 7 558 2 SER HA H 4.305 0.01 1 8 558 2 SER HB2 H 3.952 0.01 2 9 558 2 SER HB3 H 3.894 0.01 2 10 558 2 SER C C 181.499 0.00 1 11 558 2 SER CA C 58.911 0.36 1 12 558 2 SER CB C 64.308 0.09 1 13 558 2 SER N N 114.694 0.17 1 14 559 3 ALA H H 8.226 0.01 1 15 559 3 ALA HA H 4.287 0.01 1 16 559 3 ALA HB H 1.300 0.01 1 17 559 3 ALA C C 176.698 0.00 1 18 559 3 ALA CA C 52.832 0.06 1 19 559 3 ALA CB C 19.582 0.04 1 20 559 3 ALA N N 125.874 0.06 1 21 560 4 SER H H 8.148 0.00 1 22 560 4 SER HA H 4.370 0.01 1 23 560 4 SER HB2 H 3.741 0.01 2 24 560 4 SER HB3 H 3.741 0.01 2 25 560 4 SER C C 181.361 0.00 1 26 560 4 SER CA C 58.368 0.11 1 27 560 4 SER CB C 63.901 0.15 1 28 560 4 SER N N 114.727 0.09 1 29 561 5 TYR H H 8.100 0.01 1 30 561 5 TYR HA H 4.569 0.00 1 31 561 5 TYR HB2 H 3.045 0.01 2 32 561 5 TYR HB3 H 2.898 0.01 2 33 561 5 TYR HD1 H 7.070 0.00 3 34 561 5 TYR HD2 H 7.070 0.00 3 35 561 5 TYR HE1 H 6.791 0.01 3 36 561 5 TYR HE2 H 6.791 0.01 3 37 561 5 TYR C C 174.631 0.00 1 38 561 5 TYR CA C 57.852 0.16 1 39 561 5 TYR CB C 38.937 0.10 1 40 561 5 TYR N N 121.804 0.09 1 41 562 6 ASP H H 8.260 0.01 1 42 562 6 ASP HA H 4.588 0.00 1 43 562 6 ASP HB2 H 2.652 0.00 2 44 562 6 ASP HB3 H 2.652 0.00 2 45 562 6 ASP C C 175.252 0.01 1 46 562 6 ASP CA C 54.556 0.01 1 47 562 6 ASP CB C 41.625 0.09 1 48 562 6 ASP N N 122.074 0.09 1 49 563 7 SER H H 8.121 0.01 1 50 563 7 SER HA H 4.383 0.01 1 51 563 7 SER HB2 H 3.859 0.01 1 52 563 7 SER HB3 H 3.799 0.01 1 53 563 7 SER C C 173.926 0.00 1 54 563 7 SER CA C 58.589 0.26 1 55 563 7 SER CB C 64.013 0.14 1 56 563 7 SER N N 115.933 0.05 1 57 564 8 GLU H H 8.470 0.00 1 58 564 8 GLU HA H 4.257 0.01 1 59 564 8 GLU HB2 H 2.039 0.01 1 60 564 8 GLU HB3 H 1.898 0.02 1 61 564 8 GLU HG2 H 2.251 0.01 1 62 564 8 GLU HG3 H 2.168 0.02 1 63 564 8 GLU C C 175.825 0.06 1 64 564 8 GLU CA C 57.156 0.11 1 65 564 8 GLU CB C 30.272 0.21 1 66 564 8 GLU CG C 37.016 0.00 1 67 564 8 GLU N N 122.644 0.08 1 68 565 9 GLU H H 8.341 0.01 1 69 565 9 GLU HA H 3.942 0.00 1 70 565 9 GLU HB2 H 2.043 0.00 1 71 565 9 GLU HB3 H 1.895 0.02 1 72 565 9 GLU HG2 H 2.550 0.00 1 73 565 9 GLU HG3 H 2.223 0.00 1 74 565 9 GLU C C 175.744 0.00 1 75 565 9 GLU CA C 56.868 0.02 1 76 565 9 GLU CB C 30.490 0.08 1 77 565 9 GLU N N 122.161 0.13 1 78 566 10 GLU HA H 4.213 0.01 1 79 566 10 GLU HB2 H 1.992 0.01 1 80 566 10 GLU HB3 H 1.909 0.02 1 81 566 10 GLU HG2 H 2.232 0.01 1 82 566 10 GLU HG3 H 2.198 0.01 1 83 566 10 GLU CA C 56.990 0.04 1 84 566 10 GLU CB C 30.476 0.03 1 85 566 10 GLU CG C 36.440 0.08 1 86 567 11 GLU H H 8.287 0.00 1 87 567 11 GLU HA H 4.176 0.01 1 88 567 11 GLU HB2 H 1.982 0.01 1 89 567 11 GLU HB3 H 1.886 0.01 1 90 567 11 GLU HG2 H 2.247 0.01 1 91 567 11 GLU HG3 H 2.178 0.01 1 92 567 11 GLU C C 175.729 0.00 1 93 567 11 GLU CA C 56.881 0.04 1 94 567 11 GLU CB C 30.888 0.07 1 95 567 11 GLU CG C 36.275 0.00 1 96 567 11 GLU N N 121.122 0.07 1 97 568 12 GLU H H 8.444 0.01 1 98 568 12 GLU HA H 4.176 0.01 1 99 568 12 GLU HB2 H 1.983 0.01 1 100 568 12 GLU HB3 H 1.922 0.01 1 101 568 12 GLU HG2 H 2.223 0.01 1 102 568 12 GLU HG3 H 2.171 0.01 1 103 568 12 GLU C C 176.037 0.01 1 104 568 12 GLU CA C 57.272 0.03 1 105 568 12 GLU CB C 30.623 0.11 1 106 568 12 GLU CG C 36.827 0.02 1 107 568 12 GLU N N 122.443 0.09 1 108 569 13 GLY H H 8.380 0.01 1 109 569 13 GLY HA2 H 3.971 0.01 1 110 569 13 GLY HA3 H 3.533 0.01 1 111 569 13 GLY C C 172.429 0.00 1 112 569 13 GLY CA C 45.364 0.14 1 113 569 13 GLY N N 109.144 0.10 1 114 570 14 LEU H H 8.183 0.01 1 115 570 14 LEU HA H 4.542 0.01 1 116 570 14 LEU HB2 H 1.562 0.01 1 117 570 14 LEU HB3 H 1.525 0.02 1 118 570 14 LEU HG H 1.641 0.01 1 119 570 14 LEU HD1 H 0.909 0.00 1 120 570 14 LEU HD2 H 0.875 0.01 1 121 570 14 LEU C C 175.069 0.00 1 122 570 14 LEU CA C 53.668 0.00 1 123 570 14 LEU CB C 41.880 0.00 1 124 570 14 LEU CG C 26.927 0.02 1 125 570 14 LEU CD1 C 24.756 0.00 1 126 570 14 LEU CD2 C 23.936 0.00 1 127 570 14 LEU N N 123.426 0.09 1 128 571 15 PRO HA H 4.296 0.01 1 129 571 15 PRO HB2 H 2.321 0.01 1 130 571 15 PRO HB3 H 1.786 0.01 1 131 571 15 PRO HG2 H 2.040 0.01 1 132 571 15 PRO HG3 H 1.944 0.01 1 133 571 15 PRO HD2 H 3.994 0.01 1 134 571 15 PRO HD3 H 3.609 0.01 1 135 571 15 PRO CA C 63.427 0.09 1 136 571 15 PRO CB C 32.489 0.06 1 137 571 15 PRO CG C 27.673 0.03 1 138 571 15 PRO CD C 50.906 0.01 1 139 572 16 MET H H 8.608 0.01 1 140 572 16 MET HA H 4.568 0.01 1 141 572 16 MET HB2 H 2.056 0.01 1 142 572 16 MET HB3 H 1.684 0.01 1 143 572 16 MET HG2 H 2.562 0.01 1 144 572 16 MET HG3 H 2.270 0.01 1 145 572 16 MET C C 176.070 0.00 1 146 572 16 MET CA C 56.173 0.02 1 147 572 16 MET CB C 35.978 0.09 1 148 572 16 MET CG C 34.110 0.03 1 149 572 16 MET N N 122.425 0.12 1 150 573 17 SER H H 9.191 0.00 1 151 573 17 SER HA H 4.511 0.01 1 152 573 17 SER HB2 H 4.052 0.00 2 153 573 17 SER HB3 H 4.052 0.00 2 154 573 17 SER C C 174.408 0.01 1 155 573 17 SER CA C 57.293 0.14 1 156 573 17 SER CB C 66.023 0.05 1 157 573 17 SER N N 120.009 0.08 1 158 574 18 TYR H H 9.072 0.00 1 159 574 18 TYR HA H 4.095 0.01 1 160 574 18 TYR HB2 H 3.286 0.01 1 161 574 18 TYR HB3 H 2.909 0.01 1 162 574 18 TYR HD1 H 7.146 0.00 3 163 574 18 TYR HD2 H 7.146 0.00 3 164 574 18 TYR HE1 H 6.727 0.00 3 165 574 18 TYR HE2 H 6.727 0.00 3 166 574 18 TYR C C 176.777 0.03 1 167 574 18 TYR CA C 62.807 0.12 1 168 574 18 TYR CB C 38.162 0.04 1 169 574 18 TYR N N 122.033 0.09 1 170 575 19 ASP H H 8.466 0.00 1 171 575 19 ASP HA H 4.149 0.01 1 172 575 19 ASP HB2 H 2.597 0.01 1 173 575 19 ASP HB3 H 2.518 0.02 1 174 575 19 ASP C C 178.560 0.01 1 175 575 19 ASP CA C 57.918 0.11 1 176 575 19 ASP CB C 41.061 0.10 1 177 575 19 ASP N N 117.652 0.08 1 178 576 20 GLU H H 7.805 0.00 1 179 576 20 GLU HA H 3.952 0.00 1 180 576 20 GLU HB2 H 2.316 0.03 1 181 576 20 GLU HB3 H 1.908 0.03 1 182 576 20 GLU HG2 H 2.370 0.07 1 183 576 20 GLU HG3 H 2.182 0.01 1 184 576 20 GLU C C 178.875 0.00 1 185 576 20 GLU CA C 59.738 0.18 1 186 576 20 GLU CB C 30.319 0.26 1 187 576 20 GLU CG C 38.246 0.04 1 188 576 20 GLU N N 120.580 0.08 1 189 577 21 LYS H H 8.206 0.01 1 190 577 21 LYS HA H 3.809 0.01 1 191 577 21 LYS HB2 H 1.979 0.01 1 192 577 21 LYS HB3 H 1.680 0.02 1 193 577 21 LYS HD2 H 1.246 0.00 1 194 577 21 LYS HD3 H 1.142 0.01 1 195 577 21 LYS HE2 H 3.043 0.01 1 196 577 21 LYS HE3 H 2.933 0.01 1 197 577 21 LYS C C 177.367 0.00 1 198 577 21 LYS CA C 60.643 0.05 1 199 577 21 LYS CB C 33.369 0.05 1 200 577 21 LYS CD C 26.317 0.04 1 201 577 21 LYS CE C 41.969 0.00 1 202 577 21 LYS N N 121.330 0.10 1 203 578 22 ARG H H 8.473 0.01 1 204 578 22 ARG HA H 3.671 0.01 1 205 578 22 ARG HB2 H 1.707 0.01 1 206 578 22 ARG HB3 H 1.374 0.01 1 207 578 22 ARG HG2 H 1.410 0.01 1 208 578 22 ARG HG3 H 1.310 0.01 1 209 578 22 ARG HD2 H 3.157 0.01 1 210 578 22 ARG HD3 H 3.032 0.01 1 211 578 22 ARG C C 178.649 0.02 1 212 578 22 ARG CA C 59.460 0.09 1 213 578 22 ARG CB C 29.199 0.16 1 214 578 22 ARG CG C 26.901 0.06 1 215 578 22 ARG CD C 43.226 0.01 1 216 578 22 ARG N N 119.807 0.12 1 217 579 23 GLN H H 8.138 0.01 1 218 579 23 GLN HA H 3.769 0.01 1 219 579 23 GLN HB2 H 2.115 0.02 1 220 579 23 GLN HB3 H 2.020 0.01 1 221 579 23 GLN HG2 H 2.354 0.01 2 222 579 23 GLN HG3 H 2.354 0.01 2 223 579 23 GLN C C 176.229 0.01 1 224 579 23 GLN CA C 58.880 0.13 1 225 579 23 GLN CB C 28.597 0.08 1 226 579 23 GLN CG C 33.339 0.00 1 227 579 23 GLN N N 119.985 0.10 1 228 580 24 LEU H H 7.914 0.01 1 229 580 24 LEU HA H 4.376 0.01 1 230 580 24 LEU HB2 H 2.016 0.01 1 231 580 24 LEU HB3 H 1.530 0.01 1 232 580 24 LEU HG H 1.308 0.00 1 233 580 24 LEU HD1 H 0.943 0.01 1 234 580 24 LEU HD2 H 0.672 0.00 1 235 580 24 LEU C C 177.626 0.00 1 236 580 24 LEU CA C 58.050 0.07 1 237 580 24 LEU CB C 41.423 0.17 1 238 580 24 LEU CD1 C 23.847 0.06 1 239 580 24 LEU CD2 C 26.977 0.04 1 240 580 24 LEU N N 119.821 0.10 1 241 581 25 SER H H 7.953 0.01 1 242 581 25 SER HA H 3.830 0.01 1 243 581 25 SER HB2 H 3.510 0.02 2 244 581 25 SER HB3 H 3.510 0.02 2 245 581 25 SER C C 175.148 0.00 1 246 581 25 SER CA C 61.918 0.12 1 247 581 25 SER CB C 62.645 0.19 1 248 581 25 SER N N 113.425 0.05 1 249 582 26 LEU H H 7.578 0.01 1 250 582 26 LEU HA H 4.022 0.01 1 251 582 26 LEU HB2 H 1.882 0.01 1 252 582 26 LEU HB3 H 1.416 0.01 1 253 582 26 LEU HG H 1.706 0.01 1 254 582 26 LEU HD1 H 0.792 0.01 1 255 582 26 LEU HD2 H 0.799 0.02 1 256 582 26 LEU C C 179.348 0.01 1 257 582 26 LEU CA C 58.091 0.02 1 258 582 26 LEU CB C 41.821 0.09 1 259 582 26 LEU CG C 26.662 0.07 1 260 582 26 LEU CD1 C 25.227 0.03 1 261 582 26 LEU CD2 C 22.859 0.00 1 262 582 26 LEU N N 122.515 0.10 1 263 583 27 ASP H H 8.579 0.01 1 264 583 27 ASP HA H 4.331 0.02 1 265 583 27 ASP HB2 H 2.780 0.02 1 266 583 27 ASP HB3 H 2.380 0.01 1 267 583 27 ASP C C 178.813 0.01 1 268 583 27 ASP CA C 58.011 0.03 1 269 583 27 ASP CB C 40.763 0.17 1 270 583 27 ASP N N 121.198 0.08 1 271 584 28 ILE H H 8.564 0.01 1 272 584 28 ILE HA H 3.613 0.01 1 273 584 28 ILE HB H 1.934 0.01 1 274 584 28 ILE HG12 H 2.011 0.01 1 275 584 28 ILE HG13 H 0.959 0.02 1 276 584 28 ILE HG2 H 0.884 0.01 1 277 584 28 ILE HD1 H 0.937 0.01 1 278 584 28 ILE C C 177.060 0.00 1 279 584 28 ILE CA C 65.929 0.03 1 280 584 28 ILE CB C 37.943 0.07 1 281 584 28 ILE CG1 C 31.710 0.00 1 282 584 28 ILE CG2 C 17.443 0.07 1 283 584 28 ILE CD1 C 14.351 0.12 1 284 584 28 ILE N N 120.114 0.07 1 285 585 29 ASN H H 7.447 0.00 1 286 585 29 ASN HA H 4.618 0.01 1 287 585 29 ASN HB2 H 2.887 0.01 1 288 585 29 ASN HB3 H 2.887 0.01 1 289 585 29 ASN C C 175.135 0.00 1 290 585 29 ASN CA C 55.296 0.13 1 291 585 29 ASN CB C 39.241 0.05 1 292 585 29 ASN N N 115.469 0.09 1 293 586 30 ARG H H 7.535 0.00 1 294 586 30 ARG HA H 4.433 0.01 1 295 586 30 ARG HB2 H 1.963 0.02 1 296 586 30 ARG HB3 H 1.743 0.01 1 297 586 30 ARG HG2 H 1.845 0.01 1 298 586 30 ARG HG3 H 1.771 0.01 1 299 586 30 ARG HD2 H 3.179 0.01 2 300 586 30 ARG HD3 H 3.179 0.01 2 301 586 30 ARG C C 175.877 0.00 1 302 586 30 ARG CA C 56.126 0.18 1 303 586 30 ARG CB C 31.372 0.05 1 304 586 30 ARG CG C 27.419 0.02 1 305 586 30 ARG CD C 43.872 0.00 1 306 586 30 ARG N N 116.964 0.09 1 307 587 31 LEU H H 7.470 0.01 1 308 587 31 LEU HA H 4.325 0.01 1 309 587 31 LEU HB2 H 1.998 0.01 1 310 587 31 LEU HB3 H 1.305 0.01 1 311 587 31 LEU HG H 2.175 0.01 1 312 587 31 LEU HD1 H 0.965 0.01 1 313 587 31 LEU HD2 H 0.806 0.01 1 314 587 31 LEU CA C 53.818 0.03 1 315 587 31 LEU CB C 41.729 0.01 1 316 587 31 LEU CG C 26.274 0.06 1 317 587 31 LEU CD1 C 26.254 0.00 1 318 587 31 LEU CD2 C 24.067 0.00 1 319 587 31 LEU N N 121.963 0.09 1 320 588 32 PRO HA H 4.580 0.01 1 321 588 32 PRO HB2 H 2.485 0.01 1 322 588 32 PRO HB3 H 2.007 0.01 1 323 588 32 PRO HG2 H 2.145 0.01 1 324 588 32 PRO HG3 H 1.971 0.01 1 325 588 32 PRO HD2 H 3.927 0.01 1 326 588 32 PRO HD3 H 3.354 0.01 1 327 588 32 PRO C C 177.676 0.00 1 328 588 32 PRO CA C 62.501 0.11 1 329 588 32 PRO CB C 32.647 0.06 1 330 588 32 PRO CG C 27.888 0.00 1 331 588 32 PRO CD C 50.446 0.00 1 332 589 33 GLY H H 8.882 0.00 1 333 589 33 GLY HA2 H 3.748 0.01 1 334 589 33 GLY HA3 H 4.054 0.01 1 335 589 33 GLY C C 176.135 0.06 1 336 589 33 GLY CA C 48.031 0.22 1 337 589 33 GLY N N 110.291 0.08 1 338 590 34 GLU H H 7.667 0.01 1 339 590 34 GLU HA H 4.292 0.01 1 340 590 34 GLU HB2 H 2.079 0.03 1 341 590 34 GLU HB3 H 2.086 0.01 1 342 590 34 GLU HG2 H 2.314 0.01 1 343 590 34 GLU HG3 H 2.257 0.01 1 344 590 34 GLU C C 177.323 0.10 1 345 590 34 GLU CA C 58.977 0.22 1 346 590 34 GLU CB C 29.301 0.14 1 347 590 34 GLU CG C 36.103 0.04 1 348 590 34 GLU N N 120.667 0.09 1 349 591 35 LYS H H 7.932 0.01 1 350 591 35 LYS HA H 4.612 0.02 1 351 591 35 LYS HB2 H 2.391 0.03 1 352 591 35 LYS HB3 H 1.987 0.03 1 353 591 35 LYS HG2 H 1.498 0.01 2 354 591 35 LYS HG3 H 1.498 0.01 2 355 591 35 LYS HD2 H 1.766 0.01 2 356 591 35 LYS HD3 H 1.766 0.01 2 357 591 35 LYS HE2 H 3.272 0.01 2 358 591 35 LYS HE3 H 3.272 0.01 2 359 591 35 LYS C C 177.924 0.01 1 360 591 35 LYS CA C 55.526 0.12 1 361 591 35 LYS CB C 33.258 0.02 1 362 591 35 LYS CG C 25.641 0.00 1 363 591 35 LYS CD C 28.008 0.00 1 364 591 35 LYS CE C 42.560 0.00 1 365 591 35 LYS N N 116.625 0.09 1 366 592 36 LEU H H 7.805 0.01 1 367 592 36 LEU HA H 4.145 0.01 1 368 592 36 LEU HB2 H 1.885 0.00 1 369 592 36 LEU HB3 H 1.499 0.01 1 370 592 36 LEU HG H 1.705 0.01 1 371 592 36 LEU HD1 H 1.000 0.01 1 372 592 36 LEU HD2 H 0.936 0.01 1 373 592 36 LEU C C 178.054 0.00 1 374 592 36 LEU CA C 57.626 0.19 1 375 592 36 LEU CB C 42.276 0.13 1 376 592 36 LEU CG C 26.941 0.08 1 377 592 36 LEU CD1 C 24.761 0.15 1 378 592 36 LEU CD2 C 24.025 0.17 1 379 592 36 LEU N N 121.124 0.10 1 380 593 37 GLY H H 8.347 0.00 1 381 593 37 GLY HA2 H 3.653 0.00 1 382 593 37 GLY HA3 H 3.911 0.01 1 383 593 37 GLY CA C 47.454 0.17 1 384 593 37 GLY N N 107.407 0.10 1 385 594 38 ARG H H 9.444 0.00 1 386 594 38 ARG HA H 4.052 0.02 1 387 594 38 ARG HB2 H 1.679 0.02 1 388 594 38 ARG HB3 H 1.514 0.01 1 389 594 38 ARG HG2 H 1.234 0.01 1 390 594 38 ARG HG3 H 1.142 0.01 1 391 594 38 ARG HD2 H 3.051 0.02 1 392 594 38 ARG HD3 H 2.930 0.01 1 393 594 38 ARG C C 177.157 0.01 1 394 594 38 ARG CA C 57.880 0.19 1 395 594 38 ARG CB C 29.087 0.10 1 396 594 38 ARG CG C 26.040 0.03 1 397 594 38 ARG CD C 42.671 0.00 1 398 594 38 ARG N N 119.476 0.03 1 399 595 39 VAL H H 7.288 0.00 1 400 595 39 VAL HA H 3.299 0.01 1 401 595 39 VAL HB H 2.641 0.01 1 402 595 39 VAL HG1 H 1.146 0.01 1 403 595 39 VAL HG2 H 0.880 0.01 1 404 595 39 VAL C C 176.142 0.00 1 405 595 39 VAL CA C 67.087 0.05 1 406 595 39 VAL CB C 31.143 0.09 1 407 595 39 VAL CG1 C 23.234 0.06 1 408 595 39 VAL CG2 C 20.820 0.00 1 409 595 39 VAL N N 118.882 0.09 1 410 596 40 VAL H H 7.340 0.01 1 411 596 40 VAL HA H 3.303 0.01 1 412 596 40 VAL HB H 2.116 0.01 1 413 596 40 VAL HG1 H 0.939 0.01 1 414 596 40 VAL HG2 H 0.851 0.01 1 415 596 40 VAL C C 176.346 0.02 1 416 596 40 VAL CA C 67.260 0.04 1 417 596 40 VAL CB C 31.439 0.11 1 418 596 40 VAL CG1 C 23.120 0.00 1 419 596 40 VAL CG2 C 21.359 0.06 1 420 596 40 VAL N N 116.996 0.08 1 421 597 41 HIS H H 7.749 0.01 1 422 597 41 HIS HA H 4.304 0.01 1 423 597 41 HIS HB2 H 3.111 0.00 2 424 597 41 HIS HB3 H 3.111 0.00 2 425 597 41 HIS C C 178.018 0.00 1 426 597 41 HIS CA C 60.111 0.12 1 427 597 41 HIS CB C 31.018 0.08 1 428 597 41 HIS N N 118.884 0.07 1 429 598 42 ILE H H 8.473 0.01 1 430 598 42 ILE HA H 3.408 0.01 1 431 598 42 ILE HB H 1.848 0.01 1 432 598 42 ILE HG12 H 1.817 0.00 1 433 598 42 ILE HG13 H 0.885 0.01 1 434 598 42 ILE HG2 H 0.801 0.01 1 435 598 42 ILE HD1 H 0.743 0.01 1 436 598 42 ILE C C 177.130 0.02 1 437 598 42 ILE CA C 65.643 0.50 1 438 598 42 ILE CB C 38.331 0.04 1 439 598 42 ILE CG1 C 29.594 0.00 1 440 598 42 ILE CG2 C 18.346 0.05 1 441 598 42 ILE CD1 C 14.118 0.06 1 442 598 42 ILE N N 121.653 0.08 1 443 599 43 ILE H H 7.560 0.01 1 444 599 43 ILE HA H 3.406 0.01 1 445 599 43 ILE HB H 1.832 0.01 1 446 599 43 ILE HG12 H 1.712 0.02 1 447 599 43 ILE HG13 H 0.927 0.01 1 448 599 43 ILE HG2 H 0.706 0.00 1 449 599 43 ILE HD1 H 0.506 0.01 1 450 599 43 ILE C C 176.621 0.00 1 451 599 43 ILE CA C 66.230 0.12 1 452 599 43 ILE CB C 38.193 0.13 1 453 599 43 ILE CG1 C 29.516 0.04 1 454 599 43 ILE CG2 C 16.973 0.05 1 455 599 43 ILE CD1 C 14.283 0.11 1 456 599 43 ILE N N 117.177 0.10 1 457 600 44 GLN H H 8.747 0.01 1 458 600 44 GLN HA H 3.785 0.01 1 459 600 44 GLN HB2 H 2.091 0.01 1 460 600 44 GLN HB3 H 1.869 0.03 1 461 600 44 GLN HG2 H 2.555 0.00 1 462 600 44 GLN HG3 H 2.113 0.01 1 463 600 44 GLN HE21 H 7.223 0.00 1 464 600 44 GLN HE22 H 6.573 0.00 1 465 600 44 GLN C C 176.988 0.01 1 466 600 44 GLN CA C 59.734 0.03 1 467 600 44 GLN CB C 28.959 0.05 1 468 600 44 GLN CG C 35.050 0.00 1 469 600 44 GLN N N 116.089 0.11 1 470 600 44 GLN NE2 N 111.096 0.01 1 471 601 45 SER H H 8.019 0.01 1 472 601 45 SER HA H 4.093 0.01 1 473 601 45 SER HB2 H 3.792 0.01 1 474 601 45 SER HB3 H 3.644 0.01 1 475 601 45 SER C C 175.064 0.00 1 476 601 45 SER CA C 61.079 0.12 1 477 601 45 SER CB C 63.277 0.14 1 478 601 45 SER N N 111.840 0.10 1 479 602 46 ARG H H 7.331 0.01 1 480 602 46 ARG HA H 4.344 0.01 1 481 602 46 ARG HB2 H 1.992 0.01 1 482 602 46 ARG HB3 H 1.775 0.01 1 483 602 46 ARG HG2 H 1.631 0.01 2 484 602 46 ARG HG3 H 1.631 0.01 2 485 602 46 ARG HD2 H 3.020 0.01 2 486 602 46 ARG HD3 H 3.020 0.01 2 487 602 46 ARG C C 175.671 0.01 1 488 602 46 ARG CA C 56.344 0.01 1 489 602 46 ARG CB C 33.682 0.04 1 490 602 46 ARG CG C 27.581 0.00 1 491 602 46 ARG CD C 42.392 0.00 1 492 602 46 ARG N N 118.504 0.08 1 493 603 47 GLU H H 7.773 0.01 1 494 603 47 GLU HA H 4.905 0.01 1 495 603 47 GLU HB2 H 2.048 0.01 1 496 603 47 GLU HB3 H 1.851 0.01 1 497 603 47 GLU HG2 H 2.203 0.01 2 498 603 47 GLU HG3 H 2.203 0.01 2 499 603 47 GLU C C 181.371 0.00 1 500 603 47 GLU CA C 52.913 0.03 1 501 603 47 GLU CB C 29.144 0.00 1 502 603 47 GLU CG C 35.237 0.00 1 503 603 47 GLU N N 118.227 0.09 1 504 604 48 PRO HA H 4.179 0.01 1 505 604 48 PRO HB2 H 2.186 0.01 1 506 604 48 PRO HB3 H 1.860 0.01 1 507 604 48 PRO HG2 H 1.960 0.01 1 508 604 48 PRO HG3 H 1.904 0.01 1 509 604 48 PRO HD2 H 3.756 0.01 1 510 604 48 PRO HD3 H 3.605 0.01 1 511 604 48 PRO CA C 64.915 0.04 1 512 604 48 PRO CB C 32.163 0.10 1 513 604 48 PRO CG C 27.363 0.00 1 514 604 48 PRO CD C 50.680 0.00 1 515 605 49 SER H H 8.307 0.01 1 516 605 49 SER HA H 4.237 0.01 1 517 605 49 SER HB2 H 3.986 0.01 2 518 605 49 SER HB3 H 3.986 0.01 2 519 605 49 SER C C 174.400 0.00 1 520 605 49 SER CA C 60.317 0.04 1 521 605 49 SER CB C 63.314 0.06 1 522 605 49 SER N N 112.121 0.05 1 523 606 50 LEU H H 7.919 0.01 1 524 606 50 LEU HA H 4.573 0.01 1 525 606 50 LEU HB2 H 1.633 0.01 1 526 606 50 LEU HB3 H 1.564 0.02 1 527 606 50 LEU HG H 1.608 0.01 1 528 606 50 LEU HD1 H 0.854 0.01 1 529 606 50 LEU HD2 H 0.811 0.01 1 530 606 50 LEU C C 176.882 0.01 1 531 606 50 LEU CA C 54.802 0.09 1 532 606 50 LEU CB C 42.440 0.18 1 533 606 50 LEU CG C 26.537 0.00 1 534 606 50 LEU CD1 C 23.568 0.00 1 535 606 50 LEU CD2 C 25.728 0.02 1 536 606 50 LEU N N 122.223 0.08 1 537 607 51 ARG H H 7.663 0.01 1 538 607 51 ARG HA H 4.070 0.01 1 539 607 51 ARG HB2 H 1.833 0.01 2 540 607 51 ARG HB3 H 1.833 0.01 2 541 607 51 ARG HG2 H 1.662 0.00 1 542 607 51 ARG HG3 H 1.609 0.02 1 543 607 51 ARG HD2 H 3.162 0.01 2 544 607 51 ARG HD3 H 3.162 0.01 2 545 607 51 ARG C C 175.213 0.02 1 546 607 51 ARG CA C 58.448 0.03 1 547 607 51 ARG CB C 31.056 0.05 1 548 607 51 ARG CG C 26.933 0.05 1 549 607 51 ARG CD C 43.461 0.00 1 550 607 51 ARG N N 121.701 0.10 1 551 608 52 ASP H H 8.254 0.00 1 552 608 52 ASP HA H 4.678 0.01 1 553 608 52 ASP HB2 H 2.722 0.01 1 554 608 52 ASP HB3 H 2.554 0.01 1 555 608 52 ASP C C 175.267 0.00 1 556 608 52 ASP CA C 54.253 0.13 1 557 608 52 ASP CB C 41.142 0.11 1 558 608 52 ASP N N 118.317 0.12 1 559 609 53 SER H H 7.643 0.01 1 560 609 53 SER HA H 4.345 0.02 1 561 609 53 SER HB2 H 3.848 0.01 1 562 609 53 SER HB3 H 3.817 0.03 1 563 609 53 SER C C 176.111 0.01 1 564 609 53 SER CA C 59.026 0.04 1 565 609 53 SER CB C 64.339 0.08 1 566 609 53 SER N N 115.582 0.09 1 567 610 54 ASN H H 8.608 0.00 1 568 610 54 ASN HA H 4.851 0.00 1 569 610 54 ASN HB2 H 3.025 0.01 1 570 610 54 ASN HB3 H 2.763 0.01 1 571 610 54 ASN HD21 H 7.700 0.01 1 572 610 54 ASN HD22 H 7.076 0.00 1 573 610 54 ASN C C 181.500 0.00 1 574 610 54 ASN CA C 51.689 0.02 1 575 610 54 ASN CB C 39.265 0.09 1 576 610 54 ASN N N 122.698 0.10 1 577 610 54 ASN ND2 N 113.299 0.00 1 578 611 55 PRO HA H 4.434 0.01 1 579 611 55 PRO HB2 H 2.266 0.02 1 580 611 55 PRO HB3 H 1.907 0.01 1 581 611 55 PRO HG2 H 1.965 0.01 2 582 611 55 PRO HG3 H 1.965 0.01 2 583 611 55 PRO HD2 H 3.596 0.01 1 584 611 55 PRO HD3 H 3.530 0.01 1 585 611 55 PRO C C 175.623 0.00 1 586 611 55 PRO CA C 63.215 0.07 1 587 611 55 PRO CB C 32.445 0.06 1 588 611 55 PRO CG C 27.038 0.00 1 589 611 55 PRO CD C 49.613 0.00 1 590 612 56 ASP H H 8.119 0.01 1 591 612 56 ASP HA H 4.572 0.01 1 592 612 56 ASP HB2 H 2.670 0.02 1 593 612 56 ASP HB3 H 2.554 0.02 1 594 612 56 ASP C C 175.643 0.02 1 595 612 56 ASP CA C 55.735 0.01 1 596 612 56 ASP CB C 41.508 0.11 1 597 612 56 ASP N N 115.892 0.14 1 598 613 57 GLU H H 7.603 0.00 1 599 613 57 GLU HA H 4.874 0.00 1 600 613 57 GLU HB2 H 1.912 0.01 1 601 613 57 GLU HB3 H 1.792 0.01 1 602 613 57 GLU HG3 H 1.957 0.00 1 603 613 57 GLU C C 181.693 0.00 1 604 613 57 GLU CA C 55.754 0.24 1 605 613 57 GLU CB C 32.179 0.19 1 606 613 57 GLU CG C 36.918 0.00 1 607 613 57 GLU N N 118.542 0.12 1 608 614 58 ILE H H 8.889 0.08 1 609 614 58 ILE HA H 4.461 0.01 1 610 614 58 ILE HB H 1.762 0.00 1 611 614 58 ILE HG12 H 1.523 0.01 1 612 614 58 ILE HG13 H 1.002 0.01 1 613 614 58 ILE HG2 H 0.825 0.00 1 614 614 58 ILE HD1 H 0.796 0.01 1 615 614 58 ILE C C 172.849 0.00 1 616 614 58 ILE CA C 59.980 0.24 1 617 614 58 ILE CB C 40.848 0.08 1 618 614 58 ILE CG1 C 27.874 0.07 1 619 614 58 ILE CG2 C 16.971 0.07 1 620 614 58 ILE CD1 C 14.241 0.08 1 621 614 58 ILE N N 125.339 0.17 1 622 615 59 GLU H H 8.431 0.01 1 623 615 59 GLU HA H 4.989 0.00 1 624 615 59 GLU HB2 H 1.936 0.01 1 625 615 59 GLU HB3 H 1.753 0.01 1 626 615 59 GLU HG2 H 1.986 0.00 1 627 615 59 GLU HG3 H 1.848 0.01 1 628 615 59 GLU C C 174.486 0.00 1 629 615 59 GLU CA C 55.124 0.00 1 630 615 59 GLU CB C 31.768 0.08 1 631 615 59 GLU CG C 37.320 0.04 1 632 615 59 GLU N N 127.103 0.10 1 633 616 60 ILE H H 8.834 0.01 1 634 616 60 ILE HA H 4.145 0.01 1 635 616 60 ILE HB H 1.702 0.01 1 636 616 60 ILE HG12 H 1.404 0.01 1 637 616 60 ILE HG13 H 0.977 0.01 1 638 616 60 ILE HG2 H 0.591 0.02 1 639 616 60 ILE HD1 H 0.683 0.01 1 640 616 60 ILE C C 173.140 0.00 1 641 616 60 ILE CA C 59.593 0.06 1 642 616 60 ILE CB C 39.929 0.07 1 643 616 60 ILE CG1 C 24.834 0.02 1 644 616 60 ILE CG2 C 18.365 0.04 1 645 616 60 ILE CD1 C 13.642 0.07 1 646 616 60 ILE N N 125.536 0.03 1 647 617 61 ASP H H 8.799 0.01 1 648 617 61 ASP HA H 4.320 0.01 1 649 617 61 ASP HB2 H 2.776 0.01 1 650 617 61 ASP HB3 H 2.376 0.01 1 651 617 61 ASP C C 177.329 0.00 1 652 617 61 ASP CA C 57.665 0.06 1 653 617 61 ASP CB C 41.585 0.03 1 654 617 61 ASP N N 126.257 0.10 1 655 618 62 PHE HA H 4.238 0.01 1 656 618 62 PHE HB2 H 3.342 0.01 1 657 618 62 PHE HB3 H 3.060 0.01 1 658 618 62 PHE HD1 H 7.064 0.01 3 659 618 62 PHE HD2 H 7.064 0.01 3 660 618 62 PHE HE1 H 7.051 0.00 3 661 618 62 PHE HE2 H 7.051 0.00 3 662 618 62 PHE CA C 58.786 0.06 1 663 618 62 PHE CB C 37.863 0.13 1 664 619 63 GLU HA H 4.352 0.01 1 665 619 63 GLU HB2 H 2.171 0.01 2 666 619 63 GLU HB3 H 2.171 0.01 2 667 619 63 GLU HG2 H 2.419 0.01 1 668 619 63 GLU HG3 H 2.373 0.00 1 669 619 63 GLU C C 177.070 0.00 1 670 619 63 GLU CA C 57.723 0.02 1 671 619 63 GLU CB C 29.738 0.05 1 672 619 63 GLU CG C 36.531 0.06 1 673 620 64 THR H H 7.518 0.01 1 674 620 64 THR HA H 4.459 0.02 1 675 620 64 THR HB H 4.420 0.01 1 676 620 64 THR HG2 H 1.121 0.00 1 677 620 64 THR C C 174.055 0.00 1 678 620 64 THR CA C 61.558 0.11 1 679 620 64 THR CB C 69.939 0.12 1 680 620 64 THR CG2 C 21.645 0.02 1 681 620 64 THR N N 106.625 0.11 1 682 621 65 LEU H H 6.733 0.01 1 683 621 65 LEU HA H 4.362 0.01 1 684 621 65 LEU HB2 H 1.516 0.01 1 685 621 65 LEU HB3 H 1.286 0.01 1 686 621 65 LEU HG H 1.843 0.00 1 687 621 65 LEU HD1 H 0.710 0.01 1 688 621 65 LEU HD2 H 0.581 0.01 1 689 621 65 LEU C C 175.953 0.00 1 690 621 65 LEU CA C 54.186 0.19 1 691 621 65 LEU CB C 43.227 0.16 1 692 621 65 LEU CG C 26.540 0.12 1 693 621 65 LEU CD1 C 23.303 0.05 1 694 621 65 LEU CD2 C 26.315 0.00 1 695 621 65 LEU N N 121.031 0.06 1 696 622 66 LYS H H 10.031 0.00 1 697 622 66 LYS HA H 4.270 0.01 1 698 622 66 LYS HB2 H 1.909 0.01 1 699 622 66 LYS HB3 H 1.769 0.02 1 700 622 66 LYS HG2 H 1.702 0.02 2 701 622 66 LYS HG3 H 1.702 0.02 2 702 622 66 LYS HD2 H 1.347 0.01 1 703 622 66 LYS HD3 H 1.347 0.01 1 704 622 66 LYS HE2 H 3.159 0.01 2 705 622 66 LYS HE3 H 3.159 0.01 2 706 622 66 LYS C C 176.385 0.00 1 707 622 66 LYS CA C 55.859 0.04 1 708 622 66 LYS CB C 32.666 0.11 1 709 622 66 LYS CG C 26.185 0.00 1 710 622 66 LYS CD C 28.919 0.00 1 711 622 66 LYS CE C 42.927 0.00 1 712 622 66 LYS N N 123.877 0.09 1 713 623 67 PRO HA H 4.155 0.00 1 714 623 67 PRO HB2 H 2.159 0.01 1 715 623 67 PRO HB3 H 1.964 0.01 1 716 623 67 PRO CA C 66.358 0.00 1 717 623 67 PRO CB C 32.517 0.03 1 718 624 68 THR H H 7.751 0.01 1 719 624 68 THR HA H 3.965 0.01 1 720 624 68 THR HB H 4.191 0.01 1 721 624 68 THR HG2 H 1.267 0.01 1 722 624 68 THR C C 176.732 0.00 1 723 624 68 THR CA C 64.849 0.05 1 724 624 68 THR CB C 68.409 0.05 1 725 624 68 THR CG2 C 22.935 0.05 1 726 624 68 THR N N 105.764 0.09 1 727 625 69 THR H H 7.291 0.00 1 728 625 69 THR HA H 3.726 0.01 1 729 625 69 THR HB H 4.423 0.00 1 730 625 69 THR HG2 H 1.127 0.00 1 731 625 69 THR C C 175.380 0.00 1 732 625 69 THR CA C 66.246 0.06 1 733 625 69 THR CB C 67.656 0.05 1 734 625 69 THR CG2 C 24.332 0.08 1 735 625 69 THR N N 121.253 0.07 1 736 626 70 LEU H H 7.691 0.00 1 737 626 70 LEU HA H 3.654 0.01 1 738 626 70 LEU HB2 H 1.867 0.01 1 739 626 70 LEU HB3 H 1.534 0.01 1 740 626 70 LEU HG H 1.709 0.01 1 741 626 70 LEU HD1 H 0.809 0.01 1 742 626 70 LEU HD2 H 0.597 0.00 1 743 626 70 LEU C C 178.082 0.00 1 744 626 70 LEU CA C 58.791 0.02 1 745 626 70 LEU CB C 41.219 0.11 1 746 626 70 LEU CG C 26.372 0.06 1 747 626 70 LEU CD1 C 24.086 0.00 1 748 626 70 LEU N N 120.320 0.11 1 749 627 71 ARG H H 8.067 0.01 1 750 627 71 ARG HA H 4.090 0.02 1 751 627 71 ARG HB2 H 2.076 0.03 1 752 627 71 ARG HB3 H 1.925 0.02 1 753 627 71 ARG HG2 H 1.601 0.01 2 754 627 71 ARG HG3 H 1.601 0.01 2 755 627 71 ARG HD2 H 3.152 0.01 2 756 627 71 ARG HD3 H 3.152 0.01 2 757 627 71 ARG C C 178.183 0.00 1 758 627 71 ARG CA C 57.769 0.04 1 759 627 71 ARG CB C 29.321 0.06 1 760 627 71 ARG CG C 27.204 0.00 1 761 627 71 ARG CD C 42.940 0.00 1 762 627 71 ARG N N 115.848 0.08 1 763 628 72 GLU H H 7.917 0.01 1 764 628 72 GLU HA H 4.146 0.01 1 765 628 72 GLU HB2 H 2.083 0.02 1 766 628 72 GLU HB3 H 1.976 0.01 1 767 628 72 GLU HG2 H 2.310 0.01 1 768 628 72 GLU HG3 H 2.216 0.02 1 769 628 72 GLU C C 179.005 0.00 1 770 628 72 GLU CA C 59.825 0.11 1 771 628 72 GLU CB C 29.033 0.09 1 772 628 72 GLU CG C 35.878 0.00 1 773 628 72 GLU N N 122.807 0.08 1 774 629 73 LEU H H 8.386 0.00 1 775 629 73 LEU HA H 4.083 0.01 1 776 629 73 LEU HB2 H 2.144 0.01 1 777 629 73 LEU HB3 H 1.363 0.01 1 778 629 73 LEU HG H 1.848 0.01 1 779 629 73 LEU HD1 H 0.924 0.01 1 780 629 73 LEU HD2 H 0.745 0.01 1 781 629 73 LEU C C 177.099 0.02 1 782 629 73 LEU CA C 58.389 0.05 1 783 629 73 LEU CB C 43.126 0.04 1 784 629 73 LEU CG C 26.335 0.11 1 785 629 73 LEU CD1 C 25.153 0.03 1 786 629 73 LEU CD2 C 25.427 0.03 1 787 629 73 LEU N N 120.037 0.08 1 788 630 74 GLU H H 8.522 0.01 1 789 630 74 GLU HA H 3.763 0.01 1 790 630 74 GLU HB2 H 2.366 0.00 1 791 630 74 GLU HB3 H 1.901 0.01 1 792 630 74 GLU HG2 H 2.198 0.01 1 793 630 74 GLU HG3 H 2.041 0.02 1 794 630 74 GLU C C 177.358 0.01 1 795 630 74 GLU CA C 60.111 0.02 1 796 630 74 GLU CB C 30.760 0.08 1 797 630 74 GLU CG C 36.116 0.00 1 798 630 74 GLU N N 120.344 0.11 1 799 631 75 ARG H H 8.036 0.01 1 800 631 75 ARG HA H 3.955 0.01 1 801 631 75 ARG HB2 H 2.009 0.01 1 802 631 75 ARG HB3 H 1.895 0.01 1 803 631 75 ARG HG2 H 1.572 0.01 2 804 631 75 ARG HG3 H 1.572 0.01 2 805 631 75 ARG HD2 H 3.294 0.01 1 806 631 75 ARG HD3 H 3.185 0.01 1 807 631 75 ARG C C 178.716 0.01 1 808 631 75 ARG CA C 60.188 0.02 1 809 631 75 ARG CB C 30.617 0.12 1 810 631 75 ARG CG C 27.472 0.00 1 811 631 75 ARG CD C 43.543 0.00 1 812 631 75 ARG N N 118.678 0.09 1 813 632 76 TYR H H 8.125 0.00 1 814 632 76 TYR HA H 4.311 0.01 1 815 632 76 TYR HB2 H 3.312 0.01 1 816 632 76 TYR HB3 H 2.909 0.01 1 817 632 76 TYR HD1 H 6.895 0.00 3 818 632 76 TYR HD2 H 6.895 0.00 3 819 632 76 TYR HE1 H 6.685 0.00 3 820 632 76 TYR HE2 H 6.685 0.00 3 821 632 76 TYR C C 178.141 0.00 1 822 632 76 TYR CA C 61.639 0.01 1 823 632 76 TYR CB C 38.339 0.13 1 824 632 76 TYR N N 120.774 0.08 1 825 633 77 VAL H H 9.078 0.00 1 826 633 77 VAL HA H 3.161 0.01 1 827 633 77 VAL HB H 2.101 0.01 1 828 633 77 VAL HG1 H 1.085 0.01 1 829 633 77 VAL HG2 H 0.898 0.01 1 830 633 77 VAL C C 177.202 0.02 1 831 633 77 VAL CA C 67.593 0.12 1 832 633 77 VAL CB C 31.664 0.12 1 833 633 77 VAL CG1 C 23.798 0.04 1 834 633 77 VAL CG2 C 22.177 0.00 1 835 633 77 VAL N N 121.502 0.09 1 836 634 78 LYS H H 8.200 0.01 1 837 634 78 LYS HA H 4.152 0.01 1 838 634 78 LYS HB2 H 2.167 0.01 1 839 634 78 LYS HB3 H 1.986 0.01 1 840 634 78 LYS HG2 H 1.407 0.02 1 841 634 78 LYS HG3 H 0.960 0.01 1 842 634 78 LYS C C 178.519 0.00 1 843 634 78 LYS CA C 60.239 0.03 1 844 634 78 LYS CB C 32.332 0.04 1 845 634 78 LYS CG C 26.593 0.00 1 846 634 78 LYS N N 118.781 0.07 1 847 635 79 SER H H 7.613 0.00 1 848 635 79 SER HA H 4.252 0.01 1 849 635 79 SER HB2 H 3.991 0.01 2 850 635 79 SER HB3 H 3.991 0.01 2 851 635 79 SER C C 175.451 0.00 1 852 635 79 SER CA C 61.228 0.15 1 853 635 79 SER CB C 62.987 0.25 1 854 635 79 SER N N 114.053 0.08 1 855 636 80 CYS H H 7.481 0.01 1 856 636 80 CYS HA H 4.168 0.01 1 857 636 80 CYS HB2 H 2.862 0.01 1 858 636 80 CYS HB3 H 2.399 0.01 1 859 636 80 CYS C C 175.491 0.00 1 860 636 80 CYS CA C 62.090 0.12 1 861 636 80 CYS CB C 28.128 0.12 1 862 636 80 CYS N N 118.618 0.07 1 863 637 81 LEU H H 7.599 0.01 1 864 637 81 LEU HA H 4.280 0.01 1 865 637 81 LEU HB2 H 1.624 0.01 1 866 637 81 LEU HB3 H 1.489 0.02 1 867 637 81 LEU HG H 1.585 0.01 1 868 637 81 LEU HD1 H 0.740 0.01 1 869 637 81 LEU HD2 H 0.708 0.01 1 870 637 81 LEU C C 176.473 0.01 1 871 637 81 LEU CA C 55.606 0.02 1 872 637 81 LEU CB C 42.560 0.05 1 873 637 81 LEU CG C 26.693 0.00 1 874 637 81 LEU CD1 C 25.553 0.07 1 875 637 81 LEU CD2 C 22.723 0.11 1 876 637 81 LEU N N 119.119 0.08 1 877 638 82 GLN H H 7.803 0.00 1 878 638 82 GLN HA H 4.198 0.02 1 879 638 82 GLN HB2 H 2.030 0.01 1 880 638 82 GLN HB3 H 1.916 0.01 1 881 638 82 GLN HG2 H 2.338 0.01 2 882 638 82 GLN HG3 H 2.338 0.01 2 883 638 82 GLN HE21 H 7.528 0.00 1 884 638 82 GLN HE22 H 6.807 0.00 1 885 638 82 GLN C C 175.284 0.01 1 886 638 82 GLN CA C 56.553 0.02 1 887 638 82 GLN CB C 29.086 0.06 1 888 638 82 GLN CG C 33.846 0.00 1 889 638 82 GLN N N 119.333 0.08 1 890 638 82 GLN NE2 N 111.511 0.00 1 891 639 83 LYS H H 8.163 0.01 1 892 639 83 LYS HA H 4.251 0.01 1 893 639 83 LYS HB2 H 1.797 0.01 1 894 639 83 LYS HB3 H 1.705 0.03 1 895 639 83 LYS HG2 H 1.413 0.02 1 896 639 83 LYS HG3 H 1.372 0.01 1 897 639 83 LYS HD2 H 1.640 0.01 2 898 639 83 LYS HD3 H 1.640 0.01 2 899 639 83 LYS HE2 H 2.954 0.01 1 900 639 83 LYS HE3 H 2.954 0.01 1 901 639 83 LYS C C 175.870 0.00 1 902 639 83 LYS CA C 56.700 0.02 1 903 639 83 LYS CB C 32.947 0.07 1 904 639 83 LYS CG C 24.861 0.04 1 905 639 83 LYS CD C 29.081 0.00 1 906 639 83 LYS CE C 42.184 0.00 1 907 639 83 LYS N N 122.107 0.08 1 908 640 84 LYS H H 8.258 0.01 1 909 640 84 LYS HA H 4.198 0.02 1 910 640 84 LYS HB2 H 1.798 0.01 1 911 640 84 LYS HB3 H 1.694 0.01 1 912 640 84 LYS C C 175.678 0.00 1 913 640 84 LYS CA C 56.635 0.06 1 914 640 84 LYS CB C 33.150 0.00 1 915 640 84 LYS N N 122.448 0.12 1 916 642 86 ARG HA H 4.273 0.01 1 917 642 86 ARG HB2 H 1.783 0.02 1 918 642 86 ARG HB3 H 1.712 0.01 1 919 642 86 ARG HG2 H 1.557 0.01 2 920 642 86 ARG HG3 H 1.557 0.01 2 921 642 86 ARG HD2 H 3.139 0.01 2 922 642 86 ARG HD3 H 3.139 0.01 2 923 642 86 ARG C C 174.129 0.00 1 924 642 86 ARG CA C 56.386 0.11 1 925 642 86 ARG CB C 31.049 0.10 1 926 642 86 ARG CG C 26.854 0.00 1 927 642 86 ARG CD C 43.412 0.00 1 928 643 87 LYS H H 8.042 0.00 1 929 643 87 LYS C C 181.485 0.00 1 930 643 87 LYS CA C 53.920 0.04 1 931 643 87 LYS CB C 34.657 0.00 1 932 643 87 LYS N N 122.646 0.09 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D 13C/15N (F2/F1) Filtered, 1H-1H NOESY' '2D 13C/15N (F2/F1) Filtered, 1H-1H NOESY' '2D 13C/15N (F2/F1) Filtered, 1H-1H TOCSY' '3D HCCH-TOCSY' '3D HCCH-COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D HNCO' '2D 1H-15N HSQC' '3D HN(CA)CO' '3D H(CC)(CO)HN' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_3 $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 1591 1 ARG H H 8.244 0.00 1 2 1591 1 ARG HA H 4.341 0.00 1 3 1591 1 ARG HB2 H 1.826 0.03 2 4 1591 1 ARG HB3 H 1.826 0.03 2 5 1591 1 ARG HG2 H 1.719 0.00 1 6 1591 1 ARG HG3 H 1.626 0.00 1 7 1591 1 ARG HD2 H 3.175 0.00 1 8 1591 1 ARG HD3 H 2.755 0.00 1 9 1592 2 SER H H 7.998 0.01 1 10 1592 2 SER HA H 4.244 0.00 1 11 1592 2 SER HB2 H 3.810 0.00 1 12 1593 3 VAL H H 8.126 0.00 1 13 1593 3 VAL HA H 4.142 0.00 1 14 1593 3 VAL HB H 2.086 0.00 1 15 1593 3 VAL HG1 H 0.900 0.01 1 16 1594 4 LYS H H 7.917 0.00 1 17 1594 4 LYS HA H 3.819 0.01 1 18 1595 5 VAL H H 8.520 0.00 1 19 1595 5 VAL HA H 4.150 0.01 1 20 1595 5 VAL HB H 1.947 0.01 1 21 1595 5 VAL HG1 H 0.841 0.01 1 22 1595 5 VAL HG2 H 0.757 0.02 1 23 1596 6 LYS H H 8.163 0.01 1 24 1596 6 LYS HA H 4.294 0.01 1 25 1596 6 LYS HB2 H 1.732 0.01 2 26 1596 6 LYS HB3 H 1.732 0.01 2 27 1596 6 LYS HG2 H 1.536 0.00 2 28 1596 6 LYS HG3 H 1.536 0.00 2 29 1596 6 LYS HD2 H 1.604 0.01 2 30 1596 6 LYS HD3 H 1.604 0.01 2 31 1597 7 ILE H H 7.612 0.00 1 32 1597 7 ILE HA H 4.339 0.01 1 33 1597 7 ILE HB H 1.870 0.01 1 34 1597 7 ILE HG12 H 1.369 0.01 1 35 1597 7 ILE HG13 H 0.983 0.00 1 36 1597 7 ILE HG2 H 0.765 0.02 1 37 1597 7 ILE HD1 H 0.684 0.01 1 38 1598 8 LYS H H 8.404 0.01 1 39 1598 8 LYS HA H 4.367 0.01 1 40 1598 8 LYS HB3 H 1.776 0.00 1 41 1598 8 LYS HG2 H 1.368 0.00 1 42 1598 8 LYS HG3 H 1.244 0.04 1 43 1598 8 LYS HD2 H 1.637 0.01 2 44 1598 8 LYS HD3 H 1.637 0.01 2 45 1598 8 LYS HE2 H 2.859 0.02 2 46 1598 8 LYS HE3 H 2.859 0.02 2 47 1599 9 LEU H H 8.359 0.01 1 48 1599 9 LEU HA H 4.386 0.01 1 49 1599 9 LEU HB2 H 1.884 0.04 1 50 1599 9 LEU HB3 H 1.630 0.01 1 51 1599 9 LEU HG H 1.553 0.01 1 52 1599 9 LEU HD1 H 0.811 0.01 1 53 1599 9 LEU HD2 H 0.724 0.01 1 54 1600 10 GLY H H 7.783 0.00 1 55 1600 10 GLY HA2 H 3.793 0.00 1 56 1600 10 GLY HA3 H 3.673 0.00 1 57 1601 11 ARG H H 8.029 0.00 1 58 1601 11 ARG HA H 4.486 0.01 1 59 1601 11 ARG HB2 H 1.408 0.02 1 60 1601 11 ARG HB3 H 1.286 0.00 1 61 1601 11 ARG HG2 H 1.696 0.00 1 62 1601 11 ARG HG3 H 1.615 0.00 1 63 1602 12 LYS H H 7.880 0.00 1 64 1602 12 LYS HA H 4.117 0.01 1 65 1602 12 LYS HB2 H 1.761 0.01 2 66 1602 12 LYS HB3 H 1.761 0.01 2 67 1602 12 LYS HG2 H 1.352 0.00 2 68 1602 12 LYS HG3 H 1.352 0.00 2 69 1602 12 LYS HD2 H 1.663 0.01 2 70 1602 12 LYS HD3 H 1.663 0.01 2 71 1602 12 LYS HE2 H 2.634 0.00 1 72 1602 12 LYS HE3 H 2.515 0.00 1 stop_ save_