data_18094 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the AF4-AF9 complex ; _BMRB_accession_number 18094 _BMRB_flat_file_name bmr18094.str _Entry_type original _Submission_date 2011-11-18 _Accession_date 2011-11-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of the AF9 AHD fused to AF4' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leach Benjamin I. . 2 Lumba Bhavna . . 3 Chang Ming-Jin . . 4 Cierpicki Tomasz . . 5 Johnson Stephanie A. . 6 Hemenway Charles S. . 7 Bushweller John H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 601 "13C chemical shifts" 446 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-15 update BMRB 'update entry citation' 2013-01-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Leukemia Fusion Target AF9 Is an Intrinsically Disordered Transcriptional Regulator that Recruits Multiple Partners via Coupled Folding and Binding.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23260655 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leach Benjamin I. . 2 Kuntimaddi Aravinda . . 3 Schmidt Charles R. . 4 Cierpicki Tomasz . . 5 Johnson Stephanie A. . 6 Bushweller John H. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 21 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 176 _Page_last 183 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'AF4-Af9 fusion' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AF4-Af9 fusion' $AF4-AF9_fus stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Fusion of a sequence from AF4 to the AHD of AF9' save_ ######################## # Monomeric polymers # ######################## save_AF4-AF9_fus _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'AF4-Af9 fusion' _Molecular_mass 9252.518 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; TRLPLPLRDTKLLSPLRDTP PPQSLMVKITLDLLSRIPQP PGKPMGSDKQIKNGECDKAY LDELVELHRRLMTLRERHIL QQIVNLIEETGHFHITNTTF DFDLCSLDKTTVRKLQSYLE TSGTS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 THR 2 738 ARG 3 739 LEU 4 740 PRO 5 741 LEU 6 742 PRO 7 743 LEU 8 744 ARG 9 745 ASP 10 746 THR 11 747 LYS 12 748 LEU 13 749 LEU 14 750 SER 15 751 PRO 16 752 LEU 17 753 ARG 18 754 ASP 19 755 THR 20 756 PRO 21 757 PRO 22 758 PRO 23 759 GLN 24 760 SER 25 761 LEU 26 762 MET 27 763 VAL 28 764 LYS 29 765 ILE 30 766 THR 31 767 LEU 32 768 ASP 33 769 LEU 34 770 LEU 35 771 SER 36 772 ARG 37 773 ILE 38 774 PRO 39 775 GLN 40 776 PRO 41 777 PRO 42 778 GLY 43 779 LYS 44 1000 PRO 45 1001 MET 46 1002 GLY 47 1490 SER 48 1491 ASP 49 1492 LYS 50 1493 GLN 51 1494 ILE 52 1495 LYS 53 1496 ASN 54 1497 GLY 55 1498 GLU 56 1499 CYS 57 1500 ASP 58 1501 LYS 59 1502 ALA 60 1503 TYR 61 1504 LEU 62 1505 ASP 63 1506 GLU 64 1507 LEU 65 1508 VAL 66 1509 GLU 67 1510 LEU 68 1511 HIS 69 1512 ARG 70 1513 ARG 71 1514 LEU 72 1515 MET 73 1516 THR 74 1517 LEU 75 1518 ARG 76 1519 GLU 77 1520 ARG 78 1521 HIS 79 1522 ILE 80 1523 LEU 81 1524 GLN 82 1525 GLN 83 1526 ILE 84 1527 VAL 85 1528 ASN 86 1529 LEU 87 1530 ILE 88 1531 GLU 89 1532 GLU 90 1533 THR 91 1534 GLY 92 1535 HIS 93 1536 PHE 94 1537 HIS 95 1538 ILE 96 1539 THR 97 1540 ASN 98 1541 THR 99 1542 THR 100 1543 PHE 101 1544 ASP 102 1545 PHE 103 1546 ASP 104 1547 LEU 105 1548 CYS 106 1549 SER 107 1550 LEU 108 1551 ASP 109 1552 LYS 110 1553 THR 111 1554 THR 112 1555 VAL 113 1556 ARG 114 1557 LYS 115 1558 LEU 116 1559 GLN 117 1560 SER 118 1561 TYR 119 1562 LEU 120 1563 GLU 121 1564 THR 122 1565 SER 123 1566 GLY 124 1567 THR 125 1568 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 19516 Protein_AF-9 55.20 69 100.00 100.00 4.83e-41 PDB 2LM0 "Solution Structure Of The Af4-af9 Complex" 100.00 125 100.00 100.00 4.86e-83 PDB 2MV7 "Solution Nmr Structure Of Dot1l In Complex With Af9 (dot1l-af9)" 55.20 69 100.00 100.00 4.83e-41 REF XP_007898203 "PREDICTED: protein AF-9 isoform X3 [Callorhinchus milii]" 55.20 573 97.10 100.00 5.37e-36 REF XP_010901183 "PREDICTED: protein AF-9 isoform X6 [Esox lucius]" 54.40 597 97.06 100.00 2.20e-35 REF XP_011595974 "PREDICTED: protein AF-9 [Aquila chrysaetos canadensis]" 63.20 858 97.47 100.00 1.06e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AF4-AF9_fus 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 _Details $AF4-AF9_fus 'recombinant technology' . Escherichia coli 'Rosetta 2 DE3' 'pET 32a' 'Thioredoxin coding region removed by Nde1 cleavage' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '400uM AF4-AF9 fusion' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling Bis-Tris 9.3 mM 'natural abundance' MES 15.8 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 5 % D-99% $AF4-AF9_fus 400 uM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details '2mM AF4-AF9 coexpressed' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 15.8 mM 'natural abundance' Bis-Tris 9.3 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 5 % D-99% $AF4-AF9_fus 2 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '400uM AF4-AF9 fusion' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling Bis-Tris 9.3 mM 'natural abundance' MES 15.8 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 5 % D-99% $AF4-AF9_fus 400 uM '[U-100% 13C; U-100% 15N]' '(3-acrylamidopropyl)-trimethylammonium chloride' 3.5 % 'natural abundance' 'acrylic acid' 3.5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '400uM AF4-AF9 fusion' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling Bis-Tris 9.3 mM 'natural abundance' MES 15.8 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 5 % D-99% $AF4-AF9_fus 400 uM '[U-100% 13C; U-100% 15N]' '(3-acrylamidopropyl)-trimethylammonium chloride' 3.5 % 'natural abundance' acrylamide 3.5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.27 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model US2 _Field_strength 800 _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_HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $Sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_2 save_ save_3D_HNCO_IPAP_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO IPAP' _Sample_label $sample_3 save_ save_3D_HNCO_IPAP_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO IPAP' _Sample_label $sample_4 save_ save_3D_HNCO_IPAP_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO IPAP' _Sample_label $sample_4 save_ save_3D_HNCO_IPAP_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO IPAP' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.0 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.75 internal indirect . . . 0.251449530 water H 1 protons ppm 4.75 internal direct . . . 1 water N 15 protons ppm 4.75 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D HNCACB' '3D HNCO' '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 'AF4-Af9 fusion' _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 1 1 THR C C 174.884 0.000 1 2 1 1 THR CA C 62.047 0.002 1 3 1 1 THR CB C 69.894 0.021 1 4 1 1 THR N N 124.418 0.011 1 5 739 3 LEU H H 8.328 0.002 1 6 739 3 LEU CA C 52.997 0.000 1 7 739 3 LEU CB C 41.709 0.000 1 8 739 3 LEU N N 125.827 0.008 1 9 741 5 LEU H H 8.217 0.000 1 10 741 5 LEU N N 122.259 0.000 1 11 745 9 ASP C C 176.928 0.000 1 12 745 9 ASP CA C 54.351 0.000 1 13 745 9 ASP CB C 41.252 0.000 1 14 746 10 THR H H 8.085 0.001 1 15 746 10 THR C C 175.474 0.000 1 16 746 10 THR CA C 62.420 0.005 1 17 746 10 THR CB C 69.496 0.002 1 18 746 10 THR N N 115.230 0.015 1 19 747 11 LYS H H 8.289 0.002 1 20 747 11 LYS HA H 4.223 0.002 1 21 747 11 LYS HB2 H 1.762 0.001 1 22 747 11 LYS HB3 H 1.762 0.001 1 23 747 11 LYS HG2 H 1.370 0.009 1 24 747 11 LYS HG3 H 1.370 0.009 1 25 747 11 LYS HD2 H 1.627 0.002 1 26 747 11 LYS HD3 H 1.627 0.002 1 27 747 11 LYS HE2 H 2.943 0.002 1 28 747 11 LYS HE3 H 2.943 0.002 1 29 747 11 LYS C C 176.848 0.000 1 30 747 11 LYS CA C 56.732 0.076 1 31 747 11 LYS CB C 32.558 0.006 1 32 747 11 LYS CG C 24.963 0.018 1 33 747 11 LYS N N 123.120 0.011 1 34 748 12 LEU H H 8.009 0.002 1 35 748 12 LEU C C 177.299 0.000 1 36 748 12 LEU CA C 54.998 0.041 1 37 748 12 LEU CB C 42.206 0.060 1 38 748 12 LEU N N 122.149 0.012 1 39 749 13 LEU H H 8.079 0.001 1 40 749 13 LEU C C 177.266 0.000 1 41 749 13 LEU CA C 54.938 0.000 1 42 749 13 LEU CB C 42.232 0.000 1 43 749 13 LEU N N 122.750 0.015 1 44 750 14 SER H H 8.153 0.001 1 45 750 14 SER HA H 4.700 0.000 1 46 750 14 SER HB2 H 3.784 0.000 1 47 750 14 SER HB3 H 3.784 0.000 1 48 750 14 SER CA C 56.177 0.076 1 49 750 14 SER CB C 63.487 0.000 1 50 750 14 SER N N 117.445 0.019 1 51 751 15 PRO C C 176.780 0.000 1 52 751 15 PRO CA C 62.695 0.000 1 53 751 15 PRO CB C 31.888 0.000 1 54 752 16 LEU H H 8.183 0.001 1 55 752 16 LEU CA C 53.249 0.000 1 56 752 16 LEU CB C 41.704 0.000 1 57 752 16 LEU N N 123.515 0.014 1 58 753 17 ARG CA C 55.898 0.030 1 59 753 17 ARG CB C 30.999 0.000 1 60 754 18 ASP H H 8.279 0.004 1 61 754 18 ASP C C 176.308 0.042 1 62 754 18 ASP CA C 54.326 0.026 1 63 754 18 ASP CB C 41.215 0.000 1 64 754 18 ASP N N 121.429 0.031 1 65 755 19 THR H H 8.036 0.001 1 66 755 19 THR HA H 4.053 0.001 1 67 755 19 THR HB H 4.511 0.002 1 68 755 19 THR HG2 H 1.174 0.000 1 69 755 19 THR CA C 59.694 0.060 1 70 755 19 THR CB C 69.835 0.000 1 71 755 19 THR CG2 C 21.743 0.038 1 72 755 19 THR N N 116.727 0.016 1 73 758 22 PRO HA H 4.324 0.000 1 74 758 22 PRO HB2 H 2.165 0.000 2 75 758 22 PRO HB3 H 1.722 0.000 2 76 758 22 PRO C C 176.753 0.000 1 77 758 22 PRO CA C 62.780 0.032 1 78 758 22 PRO CB C 31.898 0.000 1 79 759 23 GLN H H 8.382 0.003 1 80 759 23 GLN HA H 4.190 0.001 1 81 759 23 GLN HB2 H 2.021 0.003 2 82 759 23 GLN HB3 H 1.875 0.001 2 83 759 23 GLN HG2 H 2.267 0.000 1 84 759 23 GLN HG3 H 2.267 0.000 1 85 759 23 GLN C C 175.858 0.017 1 86 759 23 GLN CA C 55.926 0.061 1 87 759 23 GLN CB C 29.715 0.116 1 88 759 23 GLN CG C 34.138 0.022 1 89 759 23 GLN N N 119.384 0.012 1 90 760 24 SER H H 7.716 0.005 1 91 760 24 SER HA H 4.561 0.002 1 92 760 24 SER HB2 H 3.596 0.001 2 93 760 24 SER HB3 H 3.476 0.003 2 94 760 24 SER C C 174.211 0.000 1 95 760 24 SER CA C 57.435 0.015 1 96 760 24 SER CB C 64.725 0.019 1 97 760 24 SER N N 114.596 0.038 1 98 761 25 LEU H H 8.852 0.053 1 99 761 25 LEU HA H 4.121 0.011 1 100 761 25 LEU HB2 H 1.566 0.013 2 101 761 25 LEU HB3 H 1.034 0.028 2 102 761 25 LEU HG H 1.197 0.005 1 103 761 25 LEU HD1 H 0.578 0.018 2 104 761 25 LEU HD2 H 0.439 0.003 2 105 761 25 LEU C C 175.483 0.000 1 106 761 25 LEU CA C 53.097 0.069 1 107 761 25 LEU CB C 44.013 0.082 1 108 761 25 LEU CG C 26.471 0.117 1 109 761 25 LEU CD1 C 23.650 0.088 1 110 761 25 LEU CD2 C 23.650 0.088 1 111 761 25 LEU N N 130.640 0.027 1 112 762 26 MET H H 8.310 0.020 1 113 762 26 MET HA H 4.707 0.012 1 114 762 26 MET HB2 H 2.414 0.004 2 115 762 26 MET HB3 H 2.154 0.006 2 116 762 26 MET HG2 H 1.831 0.007 2 117 762 26 MET HG3 H 1.792 0.003 2 118 762 26 MET HE H 1.892 0.006 1 119 762 26 MET C C 176.629 0.000 1 120 762 26 MET CA C 54.501 0.037 1 121 762 26 MET CB C 31.271 0.083 1 122 762 26 MET CG C 31.322 0.060 1 123 762 26 MET CE C 15.890 0.000 1 124 762 26 MET N N 122.222 0.029 1 125 763 27 VAL H H 9.438 0.009 1 126 763 27 VAL HA H 3.884 0.007 1 127 763 27 VAL HB H 0.590 0.006 1 128 763 27 VAL HG1 H 0.590 0.003 2 129 763 27 VAL HG2 H 0.698 0.003 2 130 763 27 VAL C C 174.561 0.000 1 131 763 27 VAL CA C 62.061 0.105 1 132 763 27 VAL CB C 31.753 0.098 1 133 763 27 VAL CG1 C 22.904 0.038 2 134 763 27 VAL CG2 C 23.093 0.044 2 135 763 27 VAL N N 133.196 0.027 1 136 764 28 LYS H H 7.117 0.011 1 137 764 28 LYS HA H 5.185 0.009 1 138 764 28 LYS HB2 H 1.571 0.006 2 139 764 28 LYS HB3 H 1.339 0.010 2 140 764 28 LYS HG2 H 1.200 0.005 2 141 764 28 LYS HG3 H 1.064 0.007 2 142 764 28 LYS HD2 H 1.511 0.003 1 143 764 28 LYS HD3 H 1.511 0.003 1 144 764 28 LYS HE2 H 2.858 0.006 2 145 764 28 LYS HE3 H 2.670 0.004 2 146 764 28 LYS C C 176.335 0.000 1 147 764 28 LYS CA C 55.068 0.095 1 148 764 28 LYS CB C 35.020 0.057 1 149 764 28 LYS CG C 24.580 0.036 1 150 764 28 LYS CD C 29.873 0.034 1 151 764 28 LYS CE C 42.364 0.023 1 152 764 28 LYS N N 124.882 0.039 1 153 765 29 ILE H H 9.558 0.010 1 154 765 29 ILE HA H 4.392 0.004 1 155 765 29 ILE HB H 2.042 0.011 1 156 765 29 ILE HG12 H 1.657 0.003 2 157 765 29 ILE HG13 H 1.320 0.009 2 158 765 29 ILE HG2 H 0.895 0.005 1 159 765 29 ILE HD1 H 0.912 0.005 1 160 765 29 ILE C C 176.765 0.000 1 161 765 29 ILE CA C 59.722 0.063 1 162 765 29 ILE CB C 40.765 0.057 1 163 765 29 ILE CG1 C 27.448 0.084 1 164 765 29 ILE CG2 C 17.672 0.066 1 165 765 29 ILE N N 125.882 0.026 1 166 766 30 THR H H 8.736 0.005 1 167 766 30 THR HA H 4.278 0.004 1 168 766 30 THR HB H 4.207 0.004 1 169 766 30 THR HG2 H 1.311 0.005 1 170 766 30 THR C C 175.835 0.000 1 171 766 30 THR CA C 63.911 0.098 1 172 766 30 THR CB C 68.717 0.172 1 173 766 30 THR CG2 C 22.795 0.075 1 174 766 30 THR N N 123.542 0.019 1 175 767 31 LEU H H 8.123 0.008 1 176 767 31 LEU HA H 3.783 0.006 1 177 767 31 LEU HB2 H 1.624 0.009 2 178 767 31 LEU HB3 H 1.412 0.008 2 179 767 31 LEU HG H 1.293 0.011 1 180 767 31 LEU HD1 H 0.784 0.005 2 181 767 31 LEU HD2 H 0.907 0.008 2 182 767 31 LEU C C 178.781 0.000 1 183 767 31 LEU CA C 57.819 0.106 1 184 767 31 LEU CB C 41.342 0.095 1 185 767 31 LEU CG C 26.879 0.058 1 186 767 31 LEU CD1 C 23.674 0.014 1 187 767 31 LEU CD2 C 23.674 0.014 1 188 767 31 LEU N N 124.299 0.025 1 189 768 32 ASP H H 8.062 0.004 1 190 768 32 ASP HA H 4.289 0.030 1 191 768 32 ASP HB2 H 2.605 0.003 1 192 768 32 ASP HB3 H 2.605 0.003 1 193 768 32 ASP C C 177.144 0.000 1 194 768 32 ASP CA C 55.783 0.163 1 195 768 32 ASP CB C 40.173 0.110 1 196 768 32 ASP N N 115.415 0.023 1 197 769 33 LEU H H 7.316 0.002 1 198 769 33 LEU HA H 4.209 0.004 1 199 769 33 LEU HB2 H 1.695 0.006 2 200 769 33 LEU HB3 H 1.457 0.017 2 201 769 33 LEU HG H 1.525 0.012 1 202 769 33 LEU HD1 H 0.888 0.005 2 203 769 33 LEU HD2 H 0.762 0.006 2 204 769 33 LEU C C 176.721 0.000 1 205 769 33 LEU CA C 55.086 0.052 1 206 769 33 LEU CB C 42.751 0.107 1 207 769 33 LEU CG C 27.066 0.013 1 208 769 33 LEU CD1 C 22.874 0.093 1 209 769 33 LEU CD2 C 22.874 0.093 1 210 769 33 LEU N N 117.728 0.014 1 211 770 34 LEU H H 7.382 0.005 1 212 770 34 LEU HA H 4.360 0.008 1 213 770 34 LEU HB2 H 1.730 0.009 2 214 770 34 LEU HB3 H 1.412 0.008 2 215 770 34 LEU HG H 1.640 0.006 1 216 770 34 LEU HD1 H 0.705 0.006 2 217 770 34 LEU HD2 H 0.458 0.007 2 218 770 34 LEU C C 177.145 0.000 1 219 770 34 LEU CA C 54.058 0.093 1 220 770 34 LEU CB C 42.067 0.093 1 221 770 34 LEU CG C 27.202 0.115 1 222 770 34 LEU CD1 C 22.208 0.068 1 223 770 34 LEU CD2 C 22.208 0.068 1 224 770 34 LEU N N 117.364 0.021 1 225 771 35 SER H H 8.389 0.024 1 226 771 35 SER HA H 4.351 0.003 1 227 771 35 SER HB2 H 3.776 0.012 2 228 771 35 SER HB3 H 3.732 0.013 2 229 771 35 SER C C 175.092 0.000 1 230 771 35 SER CA C 59.414 0.118 1 231 771 35 SER CB C 64.012 0.087 1 232 771 35 SER N N 116.791 0.017 1 233 772 36 ARG H H 8.199 0.018 1 234 772 36 ARG HA H 4.323 0.007 1 235 772 36 ARG HB2 H 1.713 0.005 1 236 772 36 ARG HB3 H 1.713 0.005 1 237 772 36 ARG HD2 H 3.146 0.002 1 238 772 36 ARG HD3 H 3.146 0.002 1 239 772 36 ARG C C 174.491 0.000 1 240 772 36 ARG CA C 55.625 0.131 1 241 772 36 ARG CB C 32.309 0.005 1 242 772 36 ARG CD C 43.502 0.000 1 243 772 36 ARG N N 124.973 0.028 1 244 773 37 ILE H H 8.620 0.024 1 245 773 37 ILE HA H 4.154 0.006 1 246 773 37 ILE HB H 1.727 0.007 1 247 773 37 ILE HG12 H 1.477 0.010 2 248 773 37 ILE HG13 H 0.980 0.011 2 249 773 37 ILE HG2 H 0.993 0.003 1 250 773 37 ILE HD1 H 0.829 0.003 1 251 773 37 ILE CA C 58.528 0.128 1 252 773 37 ILE CB C 38.912 0.082 1 253 773 37 ILE CG1 C 28.676 0.071 1 254 773 37 ILE CG2 C 17.987 0.064 1 255 773 37 ILE N N 127.679 0.034 1 256 774 38 PRO HA H 4.183 0.007 1 257 774 38 PRO HB2 H 2.152 0.007 2 258 774 38 PRO HB3 H 1.604 0.015 2 259 774 38 PRO HG2 H 1.411 0.011 2 260 774 38 PRO HG3 H 1.361 0.022 2 261 774 38 PRO HD2 H 3.872 0.010 2 262 774 38 PRO HD3 H 3.133 0.013 2 263 774 38 PRO CA C 63.030 0.156 1 264 774 38 PRO CB C 32.907 0.038 1 265 774 38 PRO CG C 27.964 0.035 1 266 774 38 PRO CD C 51.172 0.034 1 267 775 39 GLN H H 8.303 0.029 1 268 775 39 GLN HA H 4.587 0.034 1 269 775 39 GLN HB2 H 2.103 0.007 2 270 775 39 GLN HB3 H 1.882 0.002 2 271 775 39 GLN HG2 H 2.429 0.008 1 272 775 39 GLN HG3 H 2.429 0.008 1 273 775 39 GLN CA C 53.550 0.163 1 274 775 39 GLN CB C 28.429 0.385 1 275 775 39 GLN CG C 34.053 0.072 1 276 776 40 PRO HA H 4.545 0.047 1 277 776 40 PRO HB2 H 2.314 0.007 2 278 776 40 PRO HB3 H 1.840 0.025 2 279 776 40 PRO HG2 H 2.113 0.006 2 280 776 40 PRO HG3 H 1.971 0.010 2 281 776 40 PRO HD2 H 3.868 0.006 2 282 776 40 PRO HD3 H 3.628 0.007 2 283 776 40 PRO CA C 61.590 0.080 1 284 776 40 PRO CB C 31.060 0.049 1 285 776 40 PRO CD C 50.485 0.111 1 286 777 41 PRO HA H 4.405 0.002 1 287 777 41 PRO HB2 H 2.016 0.004 2 288 777 41 PRO HB3 H 1.873 0.002 2 289 777 41 PRO HG2 H 1.773 0.002 2 290 777 41 PRO HG3 H 1.550 0.005 2 291 777 41 PRO HD2 H 3.465 0.039 2 292 777 41 PRO HD3 H 3.302 0.003 2 293 777 41 PRO CB C 32.368 0.068 1 294 777 41 PRO CG C 27.336 0.049 1 295 777 41 PRO CD C 50.356 0.020 1 296 778 42 GLY H H 8.467 0.002 1 297 778 42 GLY HA2 H 3.976 0.000 1 298 778 42 GLY HA3 H 3.976 0.000 1 299 778 42 GLY CA C 45.394 0.040 1 300 779 43 LYS H H 7.846 0.002 1 301 779 43 LYS HA H 4.603 0.003 1 302 779 43 LYS HB2 H 1.648 0.002 2 303 779 43 LYS HB3 H 1.754 0.004 2 304 779 43 LYS HG2 H 1.371 0.002 1 305 779 43 LYS HG3 H 1.371 0.002 1 306 779 43 LYS CA C 53.939 0.063 1 307 779 43 LYS CB C 33.026 0.110 1 308 1000 44 PRO HA H 4.369 0.002 1 309 1000 44 PRO HB2 H 2.219 0.003 2 310 1000 44 PRO HB3 H 1.836 0.003 2 311 1000 44 PRO HG2 H 1.965 0.000 1 312 1000 44 PRO HG3 H 1.965 0.000 1 313 1000 44 PRO HD2 H 3.778 0.004 2 314 1000 44 PRO HD3 H 3.576 0.002 2 315 1000 44 PRO CA C 62.850 0.026 1 316 1000 44 PRO CB C 32.124 0.025 1 317 1000 44 PRO CG C 27.719 0.016 1 318 1000 44 PRO CD C 50.676 0.047 1 319 1001 45 MET H H 8.534 0.001 1 320 1490 47 SER H H 8.255 0.001 1 321 1490 47 SER C C 175.106 0.018 1 322 1490 47 SER CA C 58.499 0.023 1 323 1490 47 SER CB C 63.963 0.000 1 324 1490 47 SER N N 115.385 0.014 1 325 1491 48 ASP H H 8.465 0.002 1 326 1491 48 ASP HA H 4.558 0.000 1 327 1491 48 ASP HB2 H 2.634 0.000 1 328 1491 48 ASP HB3 H 2.634 0.000 1 329 1491 48 ASP C C 176.560 0.000 1 330 1491 48 ASP CA C 54.537 0.020 1 331 1491 48 ASP CB C 40.976 0.107 1 332 1491 48 ASP N N 122.366 0.010 1 333 1492 49 LYS H H 8.157 0.001 1 334 1492 49 LYS C C 176.700 0.000 1 335 1492 49 LYS CA C 56.069 0.120 1 336 1492 49 LYS CB C 32.852 0.015 1 337 1492 49 LYS N N 121.127 0.013 1 338 1493 50 GLN H H 8.267 0.003 1 339 1493 50 GLN HA H 4.272 0.001 1 340 1493 50 GLN HB2 H 2.013 0.000 2 341 1493 50 GLN HB3 H 1.929 0.000 2 342 1493 50 GLN HG2 H 2.289 0.005 1 343 1493 50 GLN HG3 H 2.289 0.005 1 344 1493 50 GLN C C 176.313 0.000 1 345 1493 50 GLN CA C 55.772 0.013 1 346 1493 50 GLN CB C 29.527 0.064 1 347 1493 50 GLN CG C 33.998 0.030 1 348 1493 50 GLN N N 121.294 0.047 1 349 1493 50 GLN NE2 N 112.025 0.103 1 350 1494 51 ILE H H 8.186 0.001 1 351 1494 51 ILE HA H 4.078 0.003 1 352 1494 51 ILE HB H 1.798 0.002 1 353 1494 51 ILE HG12 H 1.440 0.002 2 354 1494 51 ILE HG13 H 1.145 0.004 2 355 1494 51 ILE HG2 H 0.838 0.002 1 356 1494 51 ILE HD1 H 0.819 0.012 1 357 1494 51 ILE C C 176.452 0.000 1 358 1494 51 ILE CA C 61.097 0.019 1 359 1494 51 ILE CB C 38.668 0.079 1 360 1494 51 ILE CG1 C 27.750 0.017 1 361 1494 51 ILE CG2 C 17.886 0.011 1 362 1494 51 ILE N N 122.922 0.016 1 363 1495 52 LYS H H 8.405 0.002 1 364 1495 52 LYS HA H 4.335 0.000 1 365 1495 52 LYS HB2 H 1.776 0.000 2 366 1495 52 LYS HB3 H 1.685 0.000 2 367 1495 52 LYS C C 176.491 0.000 1 368 1495 52 LYS CA C 55.882 0.006 1 369 1495 52 LYS CB C 33.192 0.099 1 370 1495 52 LYS N N 125.911 0.008 1 371 1496 53 ASN H H 8.497 0.003 1 372 1496 53 ASN C C 176.199 0.000 1 373 1496 53 ASN CA C 53.526 0.005 1 374 1496 53 ASN CB C 38.971 0.019 1 375 1496 53 ASN N N 120.951 0.016 1 376 1497 54 GLY H H 8.415 0.002 1 377 1497 54 GLY C C 174.680 0.015 1 378 1497 54 GLY CA C 45.397 0.038 1 379 1497 54 GLY N N 109.514 0.025 1 380 1498 55 GLU H H 8.218 0.001 1 381 1498 55 GLU HA H 4.274 0.000 1 382 1498 55 GLU HB2 H 1.990 0.000 2 383 1498 55 GLU HB3 H 1.910 0.000 2 384 1498 55 GLU HG2 H 2.190 0.001 1 385 1498 55 GLU HG3 H 2.190 0.001 1 386 1498 55 GLU C C 176.760 0.000 1 387 1498 55 GLU CA C 56.518 0.000 1 388 1498 55 GLU CB C 30.270 0.000 1 389 1498 55 GLU CG C 36.428 0.015 1 390 1498 55 GLU N N 120.311 0.019 1 391 1499 56 CYS H H 8.464 0.002 1 392 1499 56 CYS HA H 4.527 0.002 1 393 1499 56 CYS HB2 H 2.891 0.002 1 394 1499 56 CYS HB3 H 2.891 0.002 1 395 1499 56 CYS C C 174.513 0.000 1 396 1499 56 CYS CA C 58.460 0.037 1 397 1499 56 CYS CB C 28.563 0.151 1 398 1499 56 CYS N N 120.953 0.016 1 399 1500 57 ASP H H 8.339 0.002 1 400 1500 57 ASP HA H 4.645 0.000 1 401 1500 57 ASP HB2 H 2.797 0.009 1 402 1500 57 ASP HB3 H 2.797 0.009 1 403 1500 57 ASP C C 176.378 0.000 1 404 1500 57 ASP CA C 53.363 0.014 1 405 1500 57 ASP CB C 42.006 0.228 1 406 1500 57 ASP N N 124.082 0.020 1 407 1501 58 LYS H H 8.495 0.002 1 408 1501 58 LYS HA H 3.898 0.002 1 409 1501 58 LYS HB2 H 1.823 0.007 1 410 1501 58 LYS HB3 H 1.823 0.007 1 411 1501 58 LYS HG2 H 1.450 0.001 1 412 1501 58 LYS HG3 H 1.450 0.001 1 413 1501 58 LYS HD2 H 1.576 0.000 1 414 1501 58 LYS HD3 H 1.576 0.000 1 415 1501 58 LYS HE2 H 2.989 0.004 1 416 1501 58 LYS HE3 H 2.989 0.004 1 417 1501 58 LYS CA C 59.595 0.105 1 418 1501 58 LYS CB C 32.672 0.098 1 419 1501 58 LYS CG C 25.324 0.021 1 420 1501 58 LYS CD C 28.775 0.000 1 421 1501 58 LYS CE C 42.481 0.019 1 422 1501 58 LYS N N 124.039 0.027 1 423 1502 59 ALA H H 8.175 0.000 1 424 1502 59 ALA HA H 4.176 0.004 1 425 1502 59 ALA HB H 1.457 0.002 1 426 1502 59 ALA C C 180.243 0.000 1 427 1502 59 ALA CA C 55.011 0.024 1 428 1502 59 ALA CB C 18.125 0.175 1 429 1502 59 ALA N N 120.082 0.012 1 430 1503 60 TYR H H 7.777 0.003 1 431 1503 60 TYR HA H 4.464 0.003 1 432 1503 60 TYR HB2 H 3.217 0.003 2 433 1503 60 TYR HB3 H 2.904 0.004 2 434 1503 60 TYR HD1 H 7.110 0.008 3 435 1503 60 TYR HD2 H 7.110 0.008 3 436 1503 60 TYR HE1 H 6.702 0.002 3 437 1503 60 TYR HE2 H 6.702 0.002 3 438 1503 60 TYR CA C 60.230 0.048 1 439 1503 60 TYR CB C 38.627 0.006 1 440 1503 60 TYR N N 120.224 0.021 1 441 1504 61 LEU H H 8.176 0.004 1 442 1504 61 LEU HA H 3.763 0.028 1 443 1504 61 LEU HB2 H 1.654 0.004 1 444 1504 61 LEU HB3 H 1.654 0.004 1 445 1504 61 LEU HG H 1.658 0.001 1 446 1504 61 LEU HD1 H 0.828 0.000 2 447 1504 61 LEU HD2 H 0.812 0.004 2 448 1504 61 LEU C C 178.906 0.000 1 449 1504 61 LEU CA C 58.371 0.114 1 450 1504 61 LEU CB C 41.168 0.144 1 451 1504 61 LEU CG C 27.361 0.000 1 452 1504 61 LEU CD1 C 24.577 0.028 1 453 1504 61 LEU CD2 C 24.577 0.028 1 454 1504 61 LEU N N 120.069 0.018 1 455 1505 62 ASP H H 8.316 0.003 1 456 1505 62 ASP HA H 4.280 0.012 1 457 1505 62 ASP HB2 H 2.796 0.003 2 458 1505 62 ASP HB3 H 2.558 0.005 2 459 1505 62 ASP C C 179.725 0.000 1 460 1505 62 ASP CA C 57.709 0.107 1 461 1505 62 ASP CB C 39.842 0.151 1 462 1505 62 ASP N N 118.174 0.026 1 463 1506 63 GLU H H 7.617 0.009 1 464 1506 63 GLU HA H 4.003 0.003 1 465 1506 63 GLU HB2 H 2.259 0.013 2 466 1506 63 GLU HB3 H 1.956 0.035 2 467 1506 63 GLU HG2 H 2.498 0.011 2 468 1506 63 GLU HG3 H 2.034 0.023 2 469 1506 63 GLU C C 179.820 0.000 1 470 1506 63 GLU CA C 59.991 0.070 1 471 1506 63 GLU CB C 29.670 0.091 1 472 1506 63 GLU CG C 36.780 0.079 1 473 1506 63 GLU N N 121.259 0.026 1 474 1507 64 LEU H H 8.193 0.009 1 475 1507 64 LEU HA H 3.851 0.011 1 476 1507 64 LEU HB2 H 1.876 0.017 2 477 1507 64 LEU HB3 H 1.125 0.021 2 478 1507 64 LEU HG H 1.223 0.006 1 479 1507 64 LEU HD1 H 0.574 0.012 2 480 1507 64 LEU HD2 H 0.572 0.007 2 481 1507 64 LEU C C 178.784 0.000 1 482 1507 64 LEU CA C 58.032 0.057 1 483 1507 64 LEU CB C 41.989 0.043 1 484 1507 64 LEU CG C 25.856 0.037 1 485 1507 64 LEU CD1 C 23.278 0.147 1 486 1507 64 LEU CD2 C 23.278 0.147 1 487 1507 64 LEU N N 121.432 0.080 1 488 1508 65 VAL H H 8.519 0.084 1 489 1508 65 VAL HA H 3.458 0.015 1 490 1508 65 VAL HB H 2.140 0.019 1 491 1508 65 VAL HG1 H 0.891 0.020 2 492 1508 65 VAL HG2 H 0.996 0.024 2 493 1508 65 VAL C C 178.861 0.000 1 494 1508 65 VAL CA C 67.252 0.108 1 495 1508 65 VAL CB C 32.049 0.093 1 496 1508 65 VAL CG1 C 21.259 0.092 2 497 1508 65 VAL CG2 C 23.668 0.089 2 498 1508 65 VAL N N 120.967 0.025 1 499 1509 66 GLU H H 7.436 0.013 1 500 1509 66 GLU HA H 4.254 0.011 1 501 1509 66 GLU HB2 H 2.069 0.003 2 502 1509 66 GLU HB3 H 1.991 0.006 2 503 1509 66 GLU HG2 H 2.353 0.008 2 504 1509 66 GLU HG3 H 2.234 0.010 2 505 1509 66 GLU C C 178.213 0.000 1 506 1509 66 GLU CA C 58.730 0.156 1 507 1509 66 GLU CB C 29.109 0.175 1 508 1509 66 GLU N N 120.423 0.022 1 509 1510 67 LEU H H 8.088 0.030 1 510 1510 67 LEU HA H 4.091 0.008 1 511 1510 67 LEU HB2 H 1.966 0.008 2 512 1510 67 LEU HB3 H 1.633 0.008 2 513 1510 67 LEU HG H 1.617 0.007 1 514 1510 67 LEU HD1 H 0.921 0.009 2 515 1510 67 LEU HD2 H 0.957 0.005 2 516 1510 67 LEU C C 178.015 0.000 1 517 1510 67 LEU CA C 57.934 0.146 1 518 1510 67 LEU CB C 42.051 0.095 1 519 1510 67 LEU CD1 C 27.738 0.120 1 520 1510 67 LEU CD2 C 27.738 0.120 1 521 1510 67 LEU N N 121.566 0.020 1 522 1511 68 HIS H H 8.912 0.020 1 523 1511 68 HIS HA H 3.646 0.005 1 524 1511 68 HIS HB2 H 3.322 0.005 2 525 1511 68 HIS HB3 H 3.029 0.006 2 526 1511 68 HIS HD2 H 6.394 0.003 1 527 1511 68 HIS HE1 H 7.579 0.000 1 528 1511 68 HIS C C 176.509 0.000 1 529 1511 68 HIS CA C 62.167 0.115 1 530 1511 68 HIS CB C 31.576 0.057 1 531 1511 68 HIS CD2 C 116.853 0.100 1 532 1511 68 HIS N N 119.689 0.021 1 533 1512 69 ARG H H 7.770 0.025 1 534 1512 69 ARG HA H 3.818 0.007 1 535 1512 69 ARG HB2 H 2.008 0.004 1 536 1512 69 ARG HB3 H 2.008 0.004 1 537 1512 69 ARG HG2 H 1.749 0.006 2 538 1512 69 ARG HG3 H 1.546 0.007 2 539 1512 69 ARG HD2 H 3.259 0.001 2 540 1512 69 ARG HD3 H 3.138 0.008 2 541 1512 69 ARG HE H 6.845 0.000 1 542 1512 69 ARG C C 179.593 0.000 1 543 1512 69 ARG CA C 59.499 0.101 1 544 1512 69 ARG CB C 30.194 0.139 1 545 1512 69 ARG CG C 27.338 0.000 1 546 1512 69 ARG CD C 43.304 0.000 1 547 1512 69 ARG N N 117.806 0.018 1 548 1512 69 ARG NE N 94.692 0.000 1 549 1513 70 ARG H H 7.986 0.007 1 550 1513 70 ARG HA H 3.954 0.004 1 551 1513 70 ARG HB2 H 1.896 0.008 1 552 1513 70 ARG HB3 H 1.896 0.008 1 553 1513 70 ARG HG2 H 1.632 0.006 1 554 1513 70 ARG HG3 H 1.632 0.006 1 555 1513 70 ARG HD2 H 3.217 0.004 2 556 1513 70 ARG HD3 H 3.123 0.007 2 557 1513 70 ARG HE H 7.439 0.008 1 558 1513 70 ARG C C 179.716 0.000 1 559 1513 70 ARG CA C 59.072 0.142 1 560 1513 70 ARG CB C 30.912 0.106 1 561 1513 70 ARG CG C 27.742 0.059 1 562 1513 70 ARG CD C 43.596 0.056 1 563 1513 70 ARG CZ C 162.711 0.000 1 564 1513 70 ARG N N 117.968 0.032 1 565 1513 70 ARG NE N 84.358 0.022 1 566 1514 71 LEU H H 8.811 0.005 1 567 1514 71 LEU HA H 3.987 0.005 1 568 1514 71 LEU HB2 H 1.923 0.006 2 569 1514 71 LEU HB3 H 1.245 0.006 2 570 1514 71 LEU HG H 1.992 0.006 1 571 1514 71 LEU HD1 H 1.036 0.006 2 572 1514 71 LEU HD2 H 0.957 0.003 2 573 1514 71 LEU C C 178.790 0.000 1 574 1514 71 LEU CA C 57.965 0.089 1 575 1514 71 LEU CB C 42.367 0.112 1 576 1514 71 LEU CG C 28.153 0.758 1 577 1514 71 LEU CD1 C 24.783 0.042 1 578 1514 71 LEU CD2 C 24.783 0.042 1 579 1514 71 LEU N N 119.234 0.025 1 580 1515 72 MET H H 7.814 0.009 1 581 1515 72 MET HA H 4.462 0.005 1 582 1515 72 MET HB2 H 2.134 0.049 2 583 1515 72 MET HB3 H 2.029 0.006 2 584 1515 72 MET HG2 H 2.275 0.006 1 585 1515 72 MET HG3 H 2.275 0.006 1 586 1515 72 MET HE H 2.070 0.032 1 587 1515 72 MET C C 178.092 0.000 1 588 1515 72 MET CA C 56.137 0.079 1 589 1515 72 MET CB C 31.146 0.051 1 590 1515 72 MET CG C 31.886 0.041 1 591 1515 72 MET CE C 15.991 0.000 1 592 1515 72 MET N N 114.414 0.026 1 593 1516 73 THR H H 7.298 0.004 1 594 1516 73 THR HA H 4.391 0.006 1 595 1516 73 THR HB H 4.392 0.010 1 596 1516 73 THR HG2 H 1.235 0.004 1 597 1516 73 THR C C 175.040 0.000 1 598 1516 73 THR CA C 61.506 0.107 1 599 1516 73 THR CB C 70.038 0.152 1 600 1516 73 THR CG2 C 21.849 0.024 1 601 1516 73 THR N N 107.705 0.021 1 602 1517 74 LEU H H 7.000 0.002 1 603 1517 74 LEU HA H 4.236 0.003 1 604 1517 74 LEU HB2 H 1.798 0.011 2 605 1517 74 LEU HB3 H 1.733 0.010 2 606 1517 74 LEU HG H 1.605 0.004 1 607 1517 74 LEU HD1 H 1.032 0.006 2 608 1517 74 LEU HD2 H 0.855 0.003 2 609 1517 74 LEU C C 177.685 0.000 1 610 1517 74 LEU CA C 56.287 0.056 1 611 1517 74 LEU CB C 43.250 0.082 1 612 1517 74 LEU CD1 C 26.219 0.014 1 613 1517 74 LEU CD2 C 26.219 0.014 1 614 1517 74 LEU N N 124.177 0.023 1 615 1518 75 ARG H H 9.079 0.003 1 616 1518 75 ARG HA H 4.523 0.010 1 617 1518 75 ARG HB2 H 2.044 0.006 2 618 1518 75 ARG HB3 H 1.638 0.007 2 619 1518 75 ARG HD2 H 3.161 0.008 1 620 1518 75 ARG HD3 H 3.161 0.008 1 621 1518 75 ARG C C 175.306 0.000 1 622 1518 75 ARG CA C 54.512 0.040 1 623 1518 75 ARG CB C 31.697 0.072 1 624 1518 75 ARG CD C 42.903 0.033 1 625 1518 75 ARG N N 123.011 0.016 1 626 1519 76 GLU H H 6.683 0.009 1 627 1519 76 GLU HA H 4.325 0.007 1 628 1519 76 GLU HB2 H 2.208 0.003 2 629 1519 76 GLU HB3 H 1.841 0.003 2 630 1519 76 GLU HG2 H 2.420 0.004 1 631 1519 76 GLU HG3 H 2.420 0.004 1 632 1519 76 GLU C C 177.053 0.000 1 633 1519 76 GLU CA C 57.219 0.118 1 634 1519 76 GLU CB C 30.098 0.095 1 635 1519 76 GLU CG C 37.125 0.018 1 636 1519 76 GLU N N 120.974 0.022 1 637 1520 77 ARG H H 8.726 0.003 1 638 1520 77 ARG HA H 3.748 0.004 1 639 1520 77 ARG HB2 H 1.966 0.003 2 640 1520 77 ARG HB3 H 1.750 0.010 2 641 1520 77 ARG HD2 H 3.257 0.002 2 642 1520 77 ARG HD3 H 3.166 0.013 2 643 1520 77 ARG CA C 60.890 0.103 1 644 1520 77 ARG CB C 30.640 0.055 1 645 1520 77 ARG CD C 43.464 0.000 1 646 1520 77 ARG N N 126.949 0.017 1 647 1521 78 HIS HA H 4.356 0.004 1 648 1521 78 HIS HB2 H 3.332 0.004 2 649 1521 78 HIS HB3 H 3.262 0.026 2 650 1521 78 HIS HD2 H 7.100 0.004 1 651 1521 78 HIS HE1 H 10.199 0.000 1 652 1521 78 HIS C C 177.934 0.000 1 653 1521 78 HIS CA C 59.689 0.088 1 654 1521 78 HIS CB C 28.616 0.049 1 655 1521 78 HIS CD2 C 119.865 0.036 1 656 1522 79 ILE H H 7.424 0.014 1 657 1522 79 ILE HA H 3.773 0.005 1 658 1522 79 ILE HB H 1.737 0.003 1 659 1522 79 ILE HG12 H 1.320 0.005 2 660 1522 79 ILE HG13 H 1.015 0.006 2 661 1522 79 ILE HG2 H 0.878 0.005 1 662 1522 79 ILE HD1 H 0.834 0.003 1 663 1522 79 ILE C C 178.017 0.000 1 664 1522 79 ILE CA C 63.523 0.127 1 665 1522 79 ILE CB C 37.866 0.076 1 666 1522 79 ILE CG1 C 28.676 0.071 1 667 1522 79 ILE CG2 C 18.460 0.066 1 668 1522 79 ILE N N 120.474 0.023 1 669 1523 80 LEU H H 7.934 0.005 1 670 1523 80 LEU HA H 3.807 0.010 1 671 1523 80 LEU HB2 H 1.737 0.003 2 672 1523 80 LEU HB3 H 1.016 0.006 2 673 1523 80 LEU HG H 1.516 0.006 1 674 1523 80 LEU HD1 H 0.698 0.005 2 675 1523 80 LEU HD2 H 0.825 0.012 2 676 1523 80 LEU C C 178.242 0.000 1 677 1523 80 LEU CA C 58.441 0.072 1 678 1523 80 LEU CB C 42.031 0.084 1 679 1523 80 LEU CG C 27.429 0.000 1 680 1523 80 LEU CD1 C 23.328 0.024 1 681 1523 80 LEU CD2 C 23.328 0.024 1 682 1523 80 LEU N N 119.328 0.011 1 683 1524 81 GLN H H 7.706 0.008 1 684 1524 81 GLN HA H 3.607 0.004 1 685 1524 81 GLN HB2 H 2.389 0.010 2 686 1524 81 GLN HB3 H 1.958 0.006 2 687 1524 81 GLN HG2 H 2.245 0.010 2 688 1524 81 GLN HG3 H 2.104 0.007 2 689 1524 81 GLN C C 177.664 0.000 1 690 1524 81 GLN CA C 58.364 0.125 1 691 1524 81 GLN CB C 28.540 0.150 1 692 1524 81 GLN CG C 34.216 0.010 1 693 1524 81 GLN N N 116.499 0.023 1 694 1525 82 GLN H H 7.366 0.003 1 695 1525 82 GLN HA H 3.753 0.005 1 696 1525 82 GLN HB2 H 1.845 0.011 2 697 1525 82 GLN HB3 H 1.455 0.004 2 698 1525 82 GLN HG2 H 2.072 0.008 2 699 1525 82 GLN HG3 H 1.912 0.017 2 700 1525 82 GLN C C 179.206 0.000 1 701 1525 82 GLN CA C 59.166 0.109 1 702 1525 82 GLN CB C 28.529 0.181 1 703 1525 82 GLN CG C 33.977 0.033 1 704 1525 82 GLN N N 117.794 0.030 1 705 1526 83 ILE H H 8.055 0.008 1 706 1526 83 ILE HA H 3.391 0.004 1 707 1526 83 ILE HB H 2.045 0.006 1 708 1526 83 ILE HG12 H 1.796 0.010 2 709 1526 83 ILE HG13 H 1.020 0.006 2 710 1526 83 ILE HG2 H 0.782 0.003 1 711 1526 83 ILE HD1 H 0.791 0.004 1 712 1526 83 ILE C C 176.913 0.000 1 713 1526 83 ILE CA C 65.946 0.111 1 714 1526 83 ILE CB C 37.761 0.097 1 715 1526 83 ILE CG1 C 29.866 0.027 1 716 1526 83 ILE CG2 C 16.830 0.076 1 717 1526 83 ILE N N 120.404 0.015 1 718 1527 84 VAL H H 8.011 0.007 1 719 1527 84 VAL HA H 2.804 0.010 1 720 1527 84 VAL HB H 1.598 0.006 1 721 1527 84 VAL HG1 H -0.080 0.004 2 722 1527 84 VAL HG2 H 0.345 0.014 2 723 1527 84 VAL C C 177.127 0.000 1 724 1527 84 VAL CA C 66.776 0.124 1 725 1527 84 VAL CB C 30.447 0.090 1 726 1527 84 VAL CG1 C 20.197 0.106 2 727 1527 84 VAL CG2 C 23.479 0.072 2 728 1527 84 VAL N N 120.403 0.022 1 729 1528 85 ASN H H 8.380 0.008 1 730 1528 85 ASN HA H 4.019 0.012 1 731 1528 85 ASN HB2 H 3.100 0.000 2 732 1528 85 ASN HB3 H 2.885 0.000 2 733 1528 85 ASN C C 178.066 0.000 1 734 1528 85 ASN CA C 55.615 0.145 1 735 1528 85 ASN CB C 35.948 0.898 1 736 1528 85 ASN N N 118.833 0.029 1 737 1529 86 LEU H H 7.515 0.003 1 738 1529 86 LEU HA H 4.142 0.021 1 739 1529 86 LEU HB2 H 1.974 0.007 2 740 1529 86 LEU HB3 H 1.817 0.005 2 741 1529 86 LEU HG H 1.420 0.013 1 742 1529 86 LEU HD1 H 0.940 0.007 2 743 1529 86 LEU HD2 H 0.873 0.008 2 744 1529 86 LEU C C 178.923 0.000 1 745 1529 86 LEU CA C 57.951 0.100 1 746 1529 86 LEU CB C 42.156 0.085 1 747 1529 86 LEU CG C 27.459 0.002 1 748 1529 86 LEU CD1 C 26.892 0.072 1 749 1529 86 LEU CD2 C 26.892 0.072 1 750 1529 86 LEU N N 121.275 0.037 1 751 1530 87 ILE H H 8.365 0.004 1 752 1530 87 ILE HA H 3.628 0.008 1 753 1530 87 ILE HB H 1.756 0.010 1 754 1530 87 ILE HG12 H 1.476 0.009 2 755 1530 87 ILE HG13 H -0.349 0.004 2 756 1530 87 ILE HG2 H 0.622 0.003 1 757 1530 87 ILE HD1 H 0.221 0.002 1 758 1530 87 ILE C C 180.385 0.000 1 759 1530 87 ILE CA C 61.283 0.119 1 760 1530 87 ILE CB C 34.445 0.109 1 761 1530 87 ILE CG1 C 25.507 0.075 1 762 1530 87 ILE CG2 C 18.633 0.062 1 763 1530 87 ILE N N 118.050 0.020 1 764 1531 88 GLU H H 9.263 0.005 1 765 1531 88 GLU HA H 3.958 0.010 1 766 1531 88 GLU HB2 H 2.093 0.005 2 767 1531 88 GLU HB3 H 1.630 0.007 2 768 1531 88 GLU HG2 H 2.131 0.022 1 769 1531 88 GLU HG3 H 2.131 0.022 1 770 1531 88 GLU C C 178.816 0.000 1 771 1531 88 GLU CA C 59.126 0.173 1 772 1531 88 GLU CB C 29.044 0.108 1 773 1531 88 GLU CG C 35.826 0.016 1 774 1531 88 GLU N N 124.263 0.022 1 775 1532 89 GLU H H 7.098 0.012 1 776 1532 89 GLU HA H 4.064 0.002 1 777 1532 89 GLU HB2 H 2.178 0.004 1 778 1532 89 GLU HB3 H 2.178 0.004 1 779 1532 89 GLU HG2 H 2.508 0.004 2 780 1532 89 GLU HG3 H 2.282 0.003 2 781 1532 89 GLU C C 178.066 0.000 1 782 1532 89 GLU CA C 59.056 0.146 1 783 1532 89 GLU CB C 29.835 0.075 1 784 1532 89 GLU CG C 36.378 0.034 1 785 1532 89 GLU N N 116.673 0.015 1 786 1533 90 THR H H 7.644 0.005 1 787 1533 90 THR HA H 4.315 0.008 1 788 1533 90 THR HB H 4.349 0.006 1 789 1533 90 THR HG2 H 1.488 0.005 1 790 1533 90 THR C C 176.800 0.000 1 791 1533 90 THR CA C 63.245 0.126 1 792 1533 90 THR CB C 71.512 0.121 1 793 1533 90 THR CG2 C 22.380 0.014 1 794 1533 90 THR N N 107.339 0.023 1 795 1534 91 GLY H H 7.635 0.012 1 796 1534 91 GLY HA2 H 4.225 0.014 1 797 1534 91 GLY HA3 H 4.225 0.014 1 798 1534 91 GLY C C 174.460 0.000 1 799 1534 91 GLY CA C 45.692 0.037 1 800 1534 91 GLY N N 106.440 0.056 1 801 1535 92 HIS H H 8.382 0.013 1 802 1535 92 HIS HA H 4.902 0.002 1 803 1535 92 HIS HB2 H 3.157 0.011 1 804 1535 92 HIS HB3 H 3.157 0.011 1 805 1535 92 HIS HD2 H 7.165 0.008 1 806 1535 92 HIS C C 173.667 0.000 1 807 1535 92 HIS CA C 53.965 0.067 1 808 1535 92 HIS CB C 27.357 0.049 1 809 1535 92 HIS CD2 C 120.226 0.040 1 810 1535 92 HIS N N 121.010 0.030 1 811 1536 93 PHE H H 7.082 0.006 1 812 1536 93 PHE HA H 5.251 0.008 1 813 1536 93 PHE HB2 H 2.609 0.011 2 814 1536 93 PHE HB3 H 2.108 0.013 2 815 1536 93 PHE HD1 H 6.543 0.005 3 816 1536 93 PHE HD2 H 6.543 0.005 3 817 1536 93 PHE HE1 H 6.418 0.012 3 818 1536 93 PHE HE2 H 6.418 0.012 3 819 1536 93 PHE HZ H 6.185 0.023 1 820 1536 93 PHE C C 173.564 0.000 1 821 1536 93 PHE CA C 55.687 0.099 1 822 1536 93 PHE CB C 41.944 0.237 1 823 1536 93 PHE CZ C 129.398 0.109 1 824 1536 93 PHE N N 115.458 0.027 1 825 1537 94 HIS H H 8.962 0.005 1 826 1537 94 HIS HA H 4.598 0.010 1 827 1537 94 HIS HB2 H 2.966 0.002 2 828 1537 94 HIS HB3 H 2.962 0.012 2 829 1537 94 HIS HD2 H 6.950 0.001 1 830 1537 94 HIS C C 173.122 0.000 1 831 1537 94 HIS CA C 54.948 0.091 1 832 1537 94 HIS CB C 32.657 0.074 1 833 1537 94 HIS CD2 C 120.045 0.055 1 834 1537 94 HIS N N 116.652 0.018 1 835 1538 95 ILE H H 8.635 0.030 1 836 1538 95 ILE HA H 4.891 0.004 1 837 1538 95 ILE HB H 1.867 0.004 1 838 1538 95 ILE HG12 H 1.730 0.017 2 839 1538 95 ILE HG13 H 1.323 0.003 2 840 1538 95 ILE HG2 H 1.142 0.004 1 841 1538 95 ILE HD1 H 1.057 0.020 1 842 1538 95 ILE C C 176.792 0.000 1 843 1538 95 ILE CA C 60.095 0.200 1 844 1538 95 ILE CB C 39.358 0.095 1 845 1538 95 ILE CG1 C 28.677 0.074 1 846 1538 95 ILE CG2 C 18.366 0.072 1 847 1538 95 ILE N N 123.784 0.023 1 848 1539 96 THR H H 9.211 0.004 1 849 1539 96 THR HA H 4.872 0.012 1 850 1539 96 THR HB H 4.716 0.012 1 851 1539 96 THR HG2 H 1.131 0.007 1 852 1539 96 THR C C 174.348 0.000 1 853 1539 96 THR CA C 60.388 0.050 1 854 1539 96 THR CB C 70.556 0.185 1 855 1539 96 THR N N 120.094 0.016 1 856 1540 97 ASN H H 8.502 0.003 1 857 1540 97 ASN HA H 4.496 0.004 1 858 1540 97 ASN HB2 H 2.891 0.009 1 859 1540 97 ASN HB3 H 2.891 0.009 1 860 1540 97 ASN C C 176.862 0.000 1 861 1540 97 ASN CA C 56.079 0.103 1 862 1540 97 ASN CB C 38.358 0.141 1 863 1540 97 ASN N N 113.945 0.024 1 864 1541 98 THR H H 7.867 0.004 1 865 1541 98 THR HA H 4.622 0.008 1 866 1541 98 THR HB H 4.343 0.003 1 867 1541 98 THR HG2 H 1.120 0.003 1 868 1541 98 THR C C 176.178 0.000 1 869 1541 98 THR CA C 61.812 0.091 1 870 1541 98 THR CB C 71.804 0.146 1 871 1541 98 THR CG2 C 22.559 0.025 1 872 1541 98 THR N N 103.139 0.046 1 873 1542 99 THR H H 8.106 0.010 1 874 1542 99 THR HA H 5.242 0.007 1 875 1542 99 THR HB H 3.958 0.002 1 876 1542 99 THR HG2 H 0.969 0.004 1 877 1542 99 THR C C 171.830 0.000 1 878 1542 99 THR CA C 61.139 0.133 1 879 1542 99 THR CB C 72.701 0.150 1 880 1542 99 THR CG2 C 22.698 0.077 1 881 1542 99 THR N N 115.255 0.022 1 882 1543 100 PHE H H 9.310 0.005 1 883 1543 100 PHE HA H 4.742 0.012 1 884 1543 100 PHE HB2 H 3.148 0.004 2 885 1543 100 PHE HB3 H 2.641 0.004 2 886 1543 100 PHE HD1 H 7.039 0.008 3 887 1543 100 PHE HD2 H 7.039 0.008 3 888 1543 100 PHE HE1 H 6.952 0.005 3 889 1543 100 PHE HE2 H 6.952 0.005 3 890 1543 100 PHE C C 174.024 0.000 1 891 1543 100 PHE CA C 57.685 0.020 1 892 1543 100 PHE CB C 41.635 0.104 1 893 1543 100 PHE N N 122.413 0.020 1 894 1544 101 ASP H H 8.597 0.003 1 895 1544 101 ASP HA H 6.055 0.006 1 896 1544 101 ASP HB2 H 2.376 0.008 2 897 1544 101 ASP HB3 H 2.329 0.013 2 898 1544 101 ASP C C 176.611 0.000 1 899 1544 101 ASP CA C 52.634 0.073 1 900 1544 101 ASP CB C 41.889 0.112 1 901 1544 101 ASP N N 127.805 0.023 1 902 1545 102 PHE H H 8.579 0.004 1 903 1545 102 PHE HA H 4.815 0.005 1 904 1545 102 PHE HB2 H 3.250 0.009 2 905 1545 102 PHE HB3 H 2.969 0.011 2 906 1545 102 PHE HD1 H 6.975 0.006 3 907 1545 102 PHE HD2 H 6.975 0.006 3 908 1545 102 PHE HE1 H 7.087 0.006 3 909 1545 102 PHE HE2 H 7.087 0.006 3 910 1545 102 PHE C C 172.562 0.000 1 911 1545 102 PHE CA C 56.480 0.061 1 912 1545 102 PHE CB C 41.862 0.061 1 913 1545 102 PHE N N 114.572 0.028 1 914 1546 103 ASP H H 9.166 0.010 1 915 1546 103 ASP HA H 5.005 0.006 1 916 1546 103 ASP HB2 H 2.896 0.010 2 917 1546 103 ASP HB3 H 2.511 0.008 2 918 1546 103 ASP C C 179.310 0.000 1 919 1546 103 ASP CA C 52.028 0.141 1 920 1546 103 ASP CB C 42.857 0.099 1 921 1546 103 ASP N N 121.968 0.021 1 922 1547 104 LEU H H 8.886 0.007 1 923 1547 104 LEU HA H 4.078 0.009 1 924 1547 104 LEU HB2 H 1.961 0.012 2 925 1547 104 LEU HB3 H 1.623 0.006 2 926 1547 104 LEU HG H 1.012 0.000 1 927 1547 104 LEU HD1 H 1.026 0.003 2 928 1547 104 LEU HD2 H 0.996 0.007 2 929 1547 104 LEU C C 178.734 0.000 1 930 1547 104 LEU CA C 58.394 0.048 1 931 1547 104 LEU CB C 43.337 0.102 1 932 1547 104 LEU CD1 C 24.442 0.042 1 933 1547 104 LEU CD2 C 24.442 0.042 1 934 1547 104 LEU N N 126.902 0.023 1 935 1548 105 CYS H H 8.646 0.006 1 936 1548 105 CYS HA H 3.992 0.011 1 937 1548 105 CYS HB2 H 3.062 0.031 2 938 1548 105 CYS HB3 H 2.937 0.034 2 939 1548 105 CYS C C 175.341 0.000 1 940 1548 105 CYS CA C 61.444 0.020 1 941 1548 105 CYS CB C 27.363 0.109 1 942 1548 105 CYS N N 113.832 0.024 1 943 1549 106 SER H H 7.670 0.008 1 944 1549 106 SER HA H 4.435 0.007 1 945 1549 106 SER HB2 H 3.903 0.005 2 946 1549 106 SER HB3 H 3.748 0.009 2 947 1549 106 SER C C 174.273 0.000 1 948 1549 106 SER CA C 58.652 0.002 1 949 1549 106 SER CB C 64.736 0.082 1 950 1549 106 SER N N 113.104 0.031 1 951 1550 107 LEU H H 6.748 0.004 1 952 1550 107 LEU HA H 4.478 0.006 1 953 1550 107 LEU HB2 H 1.438 0.011 2 954 1550 107 LEU HB3 H 1.871 0.004 2 955 1550 107 LEU HG H 2.185 0.006 1 956 1550 107 LEU HD1 H 0.991 0.006 2 957 1550 107 LEU HD2 H 0.979 0.006 2 958 1550 107 LEU C C 177.072 0.000 1 959 1550 107 LEU CA C 53.555 0.129 1 960 1550 107 LEU CB C 43.715 0.065 1 961 1550 107 LEU CG C 26.533 0.113 1 962 1550 107 LEU CD1 C 22.308 0.073 1 963 1550 107 LEU CD2 C 22.308 0.073 1 964 1550 107 LEU N N 118.485 0.022 1 965 1551 108 ASP H H 8.989 0.019 1 966 1551 108 ASP HA H 4.617 0.007 1 967 1551 108 ASP HB2 H 2.983 0.007 2 968 1551 108 ASP HB3 H 2.784 0.009 2 969 1551 108 ASP C C 176.711 0.000 1 970 1551 108 ASP CA C 53.361 0.164 1 971 1551 108 ASP CB C 42.094 0.095 1 972 1551 108 ASP N N 121.483 0.019 1 973 1552 109 LYS H H 8.604 0.004 1 974 1552 109 LYS HA H 4.107 0.006 1 975 1552 109 LYS HB2 H 1.714 0.015 1 976 1552 109 LYS HB3 H 1.714 0.015 1 977 1552 109 LYS HG2 H 1.278 0.024 1 978 1552 109 LYS HG3 H 1.278 0.024 1 979 1552 109 LYS HD2 H 1.399 0.017 1 980 1552 109 LYS HD3 H 1.399 0.017 1 981 1552 109 LYS HE2 H 2.423 0.027 2 982 1552 109 LYS HE3 H 2.206 0.040 2 983 1552 109 LYS C C 178.994 0.000 1 984 1552 109 LYS CA C 60.347 0.077 1 985 1552 109 LYS CB C 32.422 0.026 1 986 1552 109 LYS CG C 25.935 0.039 1 987 1552 109 LYS CD C 29.709 0.015 1 988 1552 109 LYS CE C 41.762 0.071 1 989 1552 109 LYS N N 121.352 0.017 1 990 1553 110 THR H H 8.198 0.008 1 991 1553 110 THR HA H 3.880 0.013 1 992 1553 110 THR HB H 4.166 0.003 1 993 1553 110 THR HG2 H 1.225 0.006 1 994 1553 110 THR C C 177.312 0.000 1 995 1553 110 THR CA C 66.326 0.103 1 996 1553 110 THR CB C 68.373 0.185 1 997 1553 110 THR CG2 C 22.306 0.069 1 998 1553 110 THR N N 113.548 0.016 1 999 1554 111 THR H H 7.894 0.007 1 1000 1554 111 THR HA H 3.786 0.006 1 1001 1554 111 THR HB H 4.269 0.010 1 1002 1554 111 THR HG2 H 1.135 0.007 1 1003 1554 111 THR C C 176.540 0.000 1 1004 1554 111 THR CA C 66.991 0.012 1 1005 1554 111 THR CB C 67.647 0.215 1 1006 1554 111 THR CG2 C 23.089 0.061 1 1007 1554 111 THR N N 121.030 0.106 1 1008 1555 112 VAL H H 7.843 0.007 1 1009 1555 112 VAL HA H 3.358 0.004 1 1010 1555 112 VAL HB H 2.279 0.006 1 1011 1555 112 VAL HG1 H 0.820 0.003 2 1012 1555 112 VAL HG2 H 1.050 0.004 2 1013 1555 112 VAL C C 177.549 0.000 1 1014 1555 112 VAL CA C 68.400 0.132 1 1015 1555 112 VAL CB C 31.812 0.115 1 1016 1555 112 VAL CG1 C 20.603 0.083 2 1017 1555 112 VAL CG2 C 24.603 0.095 2 1018 1555 112 VAL N N 122.673 0.014 1 1019 1556 113 ARG H H 8.342 0.011 1 1020 1556 113 ARG HA H 4.391 0.004 1 1021 1556 113 ARG HB2 H 1.956 0.013 2 1022 1556 113 ARG HB3 H 1.877 0.003 2 1023 1556 113 ARG HG2 H 1.781 0.006 1 1024 1556 113 ARG HG3 H 1.781 0.006 1 1025 1556 113 ARG HD2 H 3.275 0.007 2 1026 1556 113 ARG HD3 H 3.139 0.010 2 1027 1556 113 ARG HE H 7.395 0.000 1 1028 1556 113 ARG C C 179.838 0.000 1 1029 1556 113 ARG CA C 58.748 0.097 1 1030 1556 113 ARG CB C 29.379 0.102 1 1031 1556 113 ARG CG C 28.234 0.052 1 1032 1556 113 ARG CD C 43.026 0.094 1 1033 1556 113 ARG N N 118.671 0.022 1 1034 1556 113 ARG NE N 85.010 0.000 1 1035 1557 114 LYS H H 7.690 0.007 1 1036 1557 114 LYS HA H 3.910 0.004 1 1037 1557 114 LYS HB2 H 1.903 0.005 2 1038 1557 114 LYS HB3 H 1.673 0.005 2 1039 1557 114 LYS HG2 H 1.411 0.003 2 1040 1557 114 LYS HG3 H 1.334 0.035 2 1041 1557 114 LYS HD2 H 1.580 0.006 1 1042 1557 114 LYS HD3 H 1.580 0.006 1 1043 1557 114 LYS HE2 H 2.880 0.001 2 1044 1557 114 LYS HE3 H 2.802 0.001 2 1045 1557 114 LYS C C 178.827 0.000 1 1046 1557 114 LYS CA C 59.433 0.088 1 1047 1557 114 LYS CB C 32.285 0.089 1 1048 1557 114 LYS CG C 25.698 0.204 1 1049 1557 114 LYS CD C 29.705 0.055 1 1050 1557 114 LYS N N 121.127 0.020 1 1051 1558 115 LEU H H 8.175 0.002 1 1052 1558 115 LEU HA H 3.741 0.014 1 1053 1558 115 LEU HB2 H 2.255 0.009 2 1054 1558 115 LEU HB3 H 1.409 0.006 2 1055 1558 115 LEU HG H 1.883 0.006 1 1056 1558 115 LEU HD1 H 0.891 0.007 2 1057 1558 115 LEU HD2 H 0.912 0.006 2 1058 1558 115 LEU C C 178.698 0.000 1 1059 1558 115 LEU CA C 58.810 0.116 1 1060 1558 115 LEU CB C 42.835 0.065 1 1061 1558 115 LEU CG C 27.136 0.000 1 1062 1558 115 LEU CD1 C 25.914 0.032 1 1063 1558 115 LEU CD2 C 25.914 0.032 1 1064 1558 115 LEU N N 120.425 0.045 1 1065 1559 116 GLN H H 8.364 0.011 1 1066 1559 116 GLN HA H 3.866 0.007 1 1067 1559 116 GLN HB2 H 2.369 0.004 2 1068 1559 116 GLN HB3 H 2.012 0.005 2 1069 1559 116 GLN HG2 H 2.565 0.006 2 1070 1559 116 GLN HG3 H 2.258 0.005 2 1071 1559 116 GLN C C 179.360 0.000 1 1072 1559 116 GLN CA C 59.558 0.102 1 1073 1559 116 GLN CB C 28.665 0.061 1 1074 1559 116 GLN CG C 35.253 0.071 1 1075 1559 116 GLN N N 115.532 0.026 1 1076 1560 117 SER H H 7.925 0.004 1 1077 1560 117 SER HA H 4.270 0.004 1 1078 1560 117 SER HB2 H 3.942 0.005 1 1079 1560 117 SER HB3 H 3.942 0.005 1 1080 1560 117 SER C C 177.280 0.000 1 1081 1560 117 SER CA C 61.522 0.029 1 1082 1560 117 SER CB C 62.880 0.149 1 1083 1560 117 SER N N 115.732 0.023 1 1084 1561 118 TYR H H 7.895 0.004 1 1085 1561 118 TYR HA H 4.563 0.003 1 1086 1561 118 TYR HB2 H 3.166 0.008 2 1087 1561 118 TYR HB3 H 3.003 0.008 2 1088 1561 118 TYR HD1 H 6.930 0.005 3 1089 1561 118 TYR HD2 H 6.930 0.005 3 1090 1561 118 TYR HE1 H 6.636 0.009 3 1091 1561 118 TYR HE2 H 6.636 0.009 3 1092 1561 118 TYR C C 178.102 0.000 1 1093 1561 118 TYR CA C 58.545 0.126 1 1094 1561 118 TYR CB C 37.090 0.075 1 1095 1561 118 TYR N N 121.367 0.122 1 1096 1562 119 LEU H H 7.592 0.005 1 1097 1562 119 LEU HA H 4.189 0.020 1 1098 1562 119 LEU HB2 H 1.826 0.005 2 1099 1562 119 LEU HB3 H 1.643 0.004 2 1100 1562 119 LEU HG H 1.832 0.004 1 1101 1562 119 LEU HD1 H 0.819 0.003 2 1102 1562 119 LEU HD2 H 0.804 0.005 2 1103 1562 119 LEU C C 178.242 0.000 1 1104 1562 119 LEU CA C 56.178 0.098 1 1105 1562 119 LEU CB C 41.907 0.154 1 1106 1562 119 LEU CG C 27.491 0.052 1 1107 1562 119 LEU CD1 C 23.878 0.083 1 1108 1562 119 LEU CD2 C 23.878 0.083 1 1109 1562 119 LEU N N 117.351 0.023 1 1110 1563 120 GLU H H 7.714 0.005 1 1111 1563 120 GLU HA H 4.272 0.007 1 1112 1563 120 GLU HB2 H 2.126 0.011 1 1113 1563 120 GLU HB3 H 2.126 0.011 1 1114 1563 120 GLU HG2 H 2.369 0.008 2 1115 1563 120 GLU HG3 H 2.329 0.030 2 1116 1563 120 GLU C C 177.634 0.000 1 1117 1563 120 GLU CA C 57.653 0.122 1 1118 1563 120 GLU CB C 29.945 0.001 1 1119 1563 120 GLU CG C 36.246 0.052 1 1120 1563 120 GLU N N 119.535 0.029 1 1121 1564 121 THR H H 7.971 0.004 1 1122 1564 121 THR HA H 4.387 0.003 1 1123 1564 121 THR HB H 4.338 0.001 1 1124 1564 121 THR HG2 H 1.239 0.005 1 1125 1564 121 THR C C 175.579 0.008 1 1126 1564 121 THR CA C 62.427 0.279 1 1127 1564 121 THR CB C 69.518 0.195 1 1128 1564 121 THR CG2 C 21.845 0.020 1 1129 1564 121 THR N N 112.293 0.033 1 1130 1565 122 SER H H 8.077 0.001 1 1131 1565 122 SER HA H 3.893 0.010 1 1132 1565 122 SER HB2 H 4.411 0.001 1 1133 1565 122 SER HB3 H 4.411 0.001 1 1134 1565 122 SER C C 175.723 0.069 1 1135 1565 122 SER CA C 59.008 0.076 1 1136 1565 122 SER CB C 63.950 0.003 1 1137 1565 122 SER N N 117.569 0.035 1 1138 1566 123 GLY H H 8.446 0.003 1 1139 1566 123 GLY C C 175.046 0.014 1 1140 1566 123 GLY CA C 45.626 0.046 1 1141 1566 123 GLY N N 110.889 0.034 1 1142 1567 124 THR H H 8.010 0.002 1 1143 1567 124 THR HA H 4.395 0.001 1 1144 1567 124 THR HB H 4.255 0.000 1 1145 1567 124 THR C C 174.665 0.013 1 1146 1567 124 THR CA C 61.728 0.075 1 1147 1567 124 THR CB C 69.955 0.008 1 1148 1567 124 THR N N 113.055 0.023 1 1149 1568 125 SER H H 7.989 0.001 1 1150 1568 125 SER HA H 3.816 0.003 1 1151 1568 125 SER HB2 H 4.245 0.002 1 1152 1568 125 SER HB3 H 4.245 0.002 1 1153 1568 125 SER CA C 60.170 0.076 1 1154 1568 125 SER CB C 64.819 0.003 1 1155 1568 125 SER N N 123.642 0.032 1 stop_ save_