data_25347 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of 53BP1 tandem Tudor domains in complex with a p53K370me2 peptide ; _BMRB_accession_number 25347 _BMRB_flat_file_name bmr25347.str _Entry_type original _Submission_date 2014-11-15 _Accession_date 2014-11-15 _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 Cui Gaofeng . . 2 Botuyan 'Maria Victoria' . . 3 Mer Georges . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 804 "13C chemical shifts" 585 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-29 update BMRB 'update entry citation' 2014-12-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25348 '53BP1 tandem Tudor domains in complex with a p53K382me2 peptide' stop_ _Original_release_date 2014-11-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural plasticity of methyllysine recognition by the tandem tudor domain of 53BP1. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25579814 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tong Qiong . . 2 Cui Gaofeng . . 3 Botuyan 'Maria Victoria' . . 4 Rothbart Scott B. . 5 Hayashi Ryo . . 6 Musselman Catherine A. . 7 Singh Namit . . 8 Appela Ettore . . 9 Strahl Brian D. . 10 Mer Georges . . 11 Kutateladze Tatiana G. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 23 _Journal_issue 2 _Journal_ISSN 1878-4186 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 312 _Page_last 321 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '53BP1 tandem Tudor domains in complex with a p53K370me2 peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13944.895 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; GHMNSFVGLRVVAKWSSNGY FYSGKITRDVGAGKYKLLFD DGYECDVLGKDILLCDPIPL DTEVTALSEDEYFSAGVVKG HRKESGELYYSIEKEGQRKW YKRMAVILSLEQGNRLREQY GLG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 HIS 3 -1 MET 4 1484 ASN 5 1485 SER 6 1486 PHE 7 1487 VAL 8 1488 GLY 9 1489 LEU 10 1490 ARG 11 1491 VAL 12 1492 VAL 13 1493 ALA 14 1494 LYS 15 1495 TRP 16 1496 SER 17 1497 SER 18 1498 ASN 19 1499 GLY 20 1500 TYR 21 1501 PHE 22 1502 TYR 23 1503 SER 24 1504 GLY 25 1505 LYS 26 1506 ILE 27 1507 THR 28 1508 ARG 29 1509 ASP 30 1510 VAL 31 1511 GLY 32 1512 ALA 33 1513 GLY 34 1514 LYS 35 1515 TYR 36 1516 LYS 37 1517 LEU 38 1518 LEU 39 1519 PHE 40 1520 ASP 41 1521 ASP 42 1522 GLY 43 1523 TYR 44 1524 GLU 45 1525 CYS 46 1526 ASP 47 1527 VAL 48 1528 LEU 49 1529 GLY 50 1530 LYS 51 1531 ASP 52 1532 ILE 53 1533 LEU 54 1534 LEU 55 1535 CYS 56 1536 ASP 57 1537 PRO 58 1538 ILE 59 1539 PRO 60 1540 LEU 61 1541 ASP 62 1542 THR 63 1543 GLU 64 1544 VAL 65 1545 THR 66 1546 ALA 67 1547 LEU 68 1548 SER 69 1549 GLU 70 1550 ASP 71 1551 GLU 72 1552 TYR 73 1553 PHE 74 1554 SER 75 1555 ALA 76 1556 GLY 77 1557 VAL 78 1558 VAL 79 1559 LYS 80 1560 GLY 81 1561 HIS 82 1562 ARG 83 1563 LYS 84 1564 GLU 85 1565 SER 86 1566 GLY 87 1567 GLU 88 1568 LEU 89 1569 TYR 90 1570 TYR 91 1571 SER 92 1572 ILE 93 1573 GLU 94 1574 LYS 95 1575 GLU 96 1576 GLY 97 1577 GLN 98 1578 ARG 99 1579 LYS 100 1580 TRP 101 1581 TYR 102 1582 LYS 103 1583 ARG 104 1584 MET 105 1585 ALA 106 1586 VAL 107 1587 ILE 108 1588 LEU 109 1589 SER 110 1590 LEU 111 1591 GLU 112 1592 GLN 113 1593 GLY 114 1594 ASN 115 1595 ARG 116 1596 LEU 117 1597 ARG 118 1598 GLU 119 1599 GLN 120 1600 TYR 121 1601 GLY 122 1602 LEU 123 1603 GLY 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 1540.761 _Mol_thiol_state 'not present' _Details . _Residue_count 15 _Mol_residue_sequence ; RAHSSHLXSKKGQST ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 363 ARG 2 364 ALA 3 365 HIS 4 366 SER 5 367 SER 6 368 HIS 7 369 LEU 8 370 MLY 9 371 SER 10 372 LYS 11 373 LYS 12 374 GLY 13 375 GLN 14 376 SER 15 377 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_MLY _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common N-DIMETHYL-LYSINE _BMRB_code MLY _PDB_code MLY _Standard_residue_derivative . _Molecular_mass 174.241 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? CE CE C . 0 . ? NZ NZ N . 0 . ? CH1 CH1 C . 0 . ? CH2 CH2 C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HD2 HD2 H . 0 . ? HD3 HD3 H . 0 . ? HE2 HE2 H . 0 . ? HE3 HE3 H . 0 . ? HH11 HH11 H . 0 . ? HH12 HH12 H . 0 . ? HH13 HH13 H . 0 . ? HH21 HH21 H . 0 . ? HH22 HH22 H . 0 . ? HH23 HH23 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? SING CD CE ? ? SING CD HD2 ? ? SING CD HD3 ? ? SING CE NZ ? ? SING CE HE2 ? ? SING CE HE3 ? ? SING NZ CH1 ? ? SING NZ CH2 ? ? SING CH1 HH11 ? ? SING CH1 HH12 ? ? SING CH1 HH13 ? ? SING CH2 HH21 ? ? SING CH2 HH22 ? ? SING CH2 HH23 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . pTEV $entity_2 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 1.5 mM 'natural abundance' $entity_1 2.0 mM '[U-100% 13C; U-100% 15N]' $entity_2 6.0 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 1.5 mM 'natural abundance' $entity_1 2.0 mM '[U-100% 13C; U-100% 15N]' $entity_2 6.0 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 1.5 mM 'natural abundance' $entity_1 5.0 mM 'natural abundance' $entity_2 2.0 mM '[U-100% 13C; U-100% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 1.5 mM 'natural abundance' $entity_1 5.0 mM 'natural abundance' $entity_2 2.0 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 1.5 mM 'natural abundance' $entity_1 2.0 mM '[U-100% 15N]' $entity_2 6.0 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 35 mM 'natural abundance' 'sodium azide' 1.5 mM 'natural abundance' $entity_2 2.0 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 1.5 mM 'natural abundance' $entity_2 2.0 mM '[U-100% 13C; U-100% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SANE _Saveframe_category software _Name SANE _Version . loop_ _Vendor _Address _Electronic_address 'Duggan, Legge, Dyson & Wright' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_3D_1H-15N_TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_5 save_ save_3D_1H-13C_NOESY_aliphatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_5 save_ save_3D_1H-15N_NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_Filtered_(15N/13C)-Edited_(13C)_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Filtered (15N/13C)-Edited (13C)' _Sample_label $sample_2 save_ save_3D_Filtered_(15N/13C)-Edited_(13C)_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Filtered (15N/13C)-Edited (13C)' _Sample_label $sample_4 save_ save_3D_(HB)CB(CGCD)HD_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HB)CB(CGCD)HD' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_25 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_6 save_ save_2D_1H-13C_HSQC_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_7 save_ save_2D_1H-15N_HSQC_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_7 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' 25 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D (H)CCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D (HB)CB(CGCD)HD' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_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 -3 1 GLY HA2 H 3.772 0.03 2 2 -3 1 GLY HA3 H 3.772 0.03 2 3 -3 1 GLY CA C 44.063 0.30 1 4 -2 2 HIS HA H 4.672 0.03 1 5 -2 2 HIS HB2 H 3.098 0.03 2 6 -2 2 HIS HB3 H 3.098 0.03 2 7 -2 2 HIS HD2 H 7.012 0.03 1 8 -2 2 HIS HE1 H 7.797 0.03 1 9 -2 2 HIS CA C 56.734 0.30 1 10 -2 2 HIS CB C 31.478 0.30 1 11 -2 2 HIS CD2 C 119.682 0.30 1 12 -2 2 HIS CE1 C 138.788 0.30 1 13 -1 3 MET HA H 4.469 0.03 1 14 -1 3 MET HB2 H 1.926 0.03 2 15 -1 3 MET HB3 H 2.032 0.03 2 16 -1 3 MET HG2 H 2.441 0.03 2 17 -1 3 MET HG3 H 2.150 0.03 2 18 -1 3 MET HE H 2.104 0.03 1 19 -1 3 MET CA C 55.381 0.30 1 20 -1 3 MET CB C 32.874 0.30 1 21 -1 3 MET CG C 31.946 0.30 1 22 -1 3 MET CE C 16.966 0.30 1 23 1484 4 ASN HA H 4.619 0.03 1 24 1484 4 ASN HB2 H 2.720 0.03 2 25 1484 4 ASN HB3 H 2.720 0.03 2 26 1484 4 ASN HD21 H 7.617 0.03 2 27 1484 4 ASN HD22 H 6.944 0.03 2 28 1484 4 ASN CA C 53.532 0.30 1 29 1484 4 ASN CB C 39.232 0.30 1 30 1484 4 ASN ND2 N 113.169 0.30 1 31 1485 5 SER H H 7.824 0.03 1 32 1485 5 SER HA H 4.433 0.03 1 33 1485 5 SER HB2 H 3.833 0.03 2 34 1485 5 SER HB3 H 3.685 0.03 2 35 1485 5 SER C C 174.740 0.30 1 36 1485 5 SER CA C 57.800 0.30 1 37 1485 5 SER CB C 63.927 0.30 1 38 1485 5 SER N N 114.332 0.30 1 39 1486 6 PHE H H 8.974 0.03 1 40 1486 6 PHE HA H 4.720 0.03 1 41 1486 6 PHE HB2 H 3.250 0.03 2 42 1486 6 PHE HB3 H 2.669 0.03 2 43 1486 6 PHE HD1 H 7.146 0.03 3 44 1486 6 PHE HD2 H 7.146 0.03 3 45 1486 6 PHE HE1 H 7.304 0.03 3 46 1486 6 PHE HE2 H 7.304 0.03 3 47 1486 6 PHE HZ H 7.268 0.03 1 48 1486 6 PHE C C 175.260 0.30 1 49 1486 6 PHE CA C 57.609 0.30 1 50 1486 6 PHE CB C 39.395 0.30 1 51 1486 6 PHE CD1 C 131.408 0.30 3 52 1486 6 PHE CD2 C 131.408 0.30 3 53 1486 6 PHE CE1 C 131.319 0.30 3 54 1486 6 PHE CE2 C 131.319 0.30 3 55 1486 6 PHE CZ C 129.489 0.30 1 56 1486 6 PHE N N 122.758 0.30 1 57 1487 7 VAL H H 7.730 0.03 1 58 1487 7 VAL HA H 3.273 0.03 1 59 1487 7 VAL HB H 1.981 0.03 1 60 1487 7 VAL HG1 H 0.883 0.03 2 61 1487 7 VAL HG2 H 1.043 0.03 2 62 1487 7 VAL C C 177.270 0.30 1 63 1487 7 VAL CA C 65.878 0.30 1 64 1487 7 VAL CB C 31.007 0.30 1 65 1487 7 VAL CG1 C 21.563 0.30 1 66 1487 7 VAL CG2 C 22.942 0.30 1 67 1487 7 VAL N N 118.346 0.30 1 68 1488 8 GLY H H 8.970 0.03 1 69 1488 8 GLY HA2 H 4.432 0.03 2 70 1488 8 GLY HA3 H 3.665 0.03 2 71 1488 8 GLY C C 174.197 0.30 1 72 1488 8 GLY CA C 44.888 0.30 1 73 1488 8 GLY N N 116.531 0.30 1 74 1489 9 LEU H H 7.593 0.03 1 75 1489 9 LEU HA H 4.297 0.03 1 76 1489 9 LEU HB2 H 1.516 0.03 2 77 1489 9 LEU HB3 H 1.767 0.03 2 78 1489 9 LEU HG H 1.642 0.03 1 79 1489 9 LEU HD1 H 0.911 0.03 2 80 1489 9 LEU HD2 H 1.066 0.03 2 81 1489 9 LEU C C 176.803 0.30 1 82 1489 9 LEU CA C 55.275 0.30 1 83 1489 9 LEU CB C 41.744 0.30 1 84 1489 9 LEU CG C 26.860 0.30 1 85 1489 9 LEU CD1 C 22.615 0.30 1 86 1489 9 LEU CD2 C 26.633 0.30 1 87 1489 9 LEU N N 120.267 0.30 1 88 1490 10 ARG H H 8.286 0.03 1 89 1490 10 ARG HA H 4.760 0.03 1 90 1490 10 ARG HB2 H 1.772 0.03 2 91 1490 10 ARG HB3 H 1.943 0.03 2 92 1490 10 ARG HG2 H 1.674 0.03 2 93 1490 10 ARG HG3 H 1.764 0.03 2 94 1490 10 ARG HD2 H 3.092 0.03 2 95 1490 10 ARG HD3 H 3.092 0.03 2 96 1490 10 ARG HE H 6.894 0.03 1 97 1490 10 ARG C C 175.486 0.30 1 98 1490 10 ARG CA C 56.866 0.30 1 99 1490 10 ARG CB C 30.274 0.30 1 100 1490 10 ARG CG C 29.350 0.30 1 101 1490 10 ARG CD C 42.131 0.30 1 102 1490 10 ARG N N 120.564 0.30 1 103 1491 11 VAL H H 8.330 0.03 1 104 1491 11 VAL HA H 4.981 0.03 1 105 1491 11 VAL HB H 2.283 0.03 1 106 1491 11 VAL HG1 H 0.401 0.03 2 107 1491 11 VAL HG2 H 0.724 0.03 2 108 1491 11 VAL C C 176.053 0.30 1 109 1491 11 VAL CA C 58.549 0.30 1 110 1491 11 VAL CB C 36.564 0.30 1 111 1491 11 VAL CG1 C 18.330 0.30 1 112 1491 11 VAL CG2 C 22.594 0.30 1 113 1491 11 VAL N N 110.442 0.30 1 114 1492 12 VAL H H 8.659 0.03 1 115 1492 12 VAL HA H 5.120 0.03 1 116 1492 12 VAL HB H 1.917 0.03 1 117 1492 12 VAL HG1 H 0.872 0.03 2 118 1492 12 VAL HG2 H 0.863 0.03 2 119 1492 12 VAL C C 175.118 0.30 1 120 1492 12 VAL CA C 61.195 0.30 1 121 1492 12 VAL CB C 33.772 0.30 1 122 1492 12 VAL CG1 C 22.128 0.30 1 123 1492 12 VAL CG2 C 21.364 0.30 1 124 1492 12 VAL N N 116.787 0.30 1 125 1493 13 ALA H H 9.839 0.03 1 126 1493 13 ALA HA H 5.867 0.03 1 127 1493 13 ALA HB H 1.476 0.03 1 128 1493 13 ALA C C 175.415 0.30 1 129 1493 13 ALA CA C 51.265 0.30 1 130 1493 13 ALA CB C 25.088 0.30 1 131 1493 13 ALA N N 126.829 0.30 1 132 1494 14 LYS H H 8.185 0.03 1 133 1494 14 LYS HA H 4.478 0.03 1 134 1494 14 LYS HB2 H 0.566 0.03 2 135 1494 14 LYS HB3 H 1.179 0.03 2 136 1494 14 LYS HG2 H 0.866 0.03 2 137 1494 14 LYS HG3 H 0.642 0.03 2 138 1494 14 LYS HD2 H 1.053 0.03 2 139 1494 14 LYS HD3 H 1.241 0.03 2 140 1494 14 LYS HE2 H 2.649 0.03 2 141 1494 14 LYS HE3 H 2.731 0.03 2 142 1494 14 LYS CA C 55.091 0.30 1 143 1494 14 LYS CB C 34.255 0.30 1 144 1494 14 LYS CG C 23.110 0.30 1 145 1494 14 LYS CD C 29.565 0.30 1 146 1494 14 LYS CE C 41.880 0.30 1 147 1494 14 LYS N N 123.962 0.30 1 148 1495 15 TRP HA H 4.704 0.03 1 149 1495 15 TRP HB2 H 3.098 0.03 2 150 1495 15 TRP HB3 H 3.098 0.03 2 151 1495 15 TRP HD1 H 7.306 0.03 1 152 1495 15 TRP HE3 H 7.212 0.03 1 153 1495 15 TRP HZ2 H 7.044 0.03 1 154 1495 15 TRP HZ3 H 7.136 0.03 1 155 1495 15 TRP HH2 H 6.826 0.03 1 156 1495 15 TRP CA C 56.880 0.30 1 157 1495 15 TRP CB C 31.447 0.30 1 158 1495 15 TRP CD1 C 128.439 0.30 1 159 1495 15 TRP CZ2 C 114.395 0.30 1 160 1495 15 TRP CH2 C 124.755 0.30 1 161 1496 16 SER HA H 4.268 0.03 1 162 1496 16 SER HB2 H 3.589 0.03 2 163 1496 16 SER HB3 H 3.317 0.03 2 164 1496 16 SER CA C 58.440 0.30 1 165 1496 16 SER CB C 64.123 0.30 1 166 1497 17 SER HA H 4.465 0.03 1 167 1497 17 SER HB2 H 3.940 0.03 2 168 1497 17 SER HB3 H 3.597 0.03 2 169 1497 17 SER CA C 58.560 0.30 1 170 1497 17 SER CB C 63.980 0.30 1 171 1498 18 ASN HA H 4.953 0.03 1 172 1498 18 ASN HB2 H 2.977 0.03 2 173 1498 18 ASN HB3 H 3.313 0.03 2 174 1498 18 ASN HD22 H 7.458 0.03 2 175 1498 18 ASN CA C 52.451 0.30 1 176 1498 18 ASN CB C 39.874 0.30 1 177 1498 18 ASN ND2 N 110.183 0.30 1 178 1499 19 GLY HA2 H 3.645 0.03 2 179 1499 19 GLY HA3 H 3.809 0.03 2 180 1499 19 GLY CA C 47.043 0.30 1 181 1500 20 TYR H H 7.720 0.03 1 182 1500 20 TYR HA H 4.846 0.03 1 183 1500 20 TYR HB2 H 2.297 0.03 2 184 1500 20 TYR HB3 H 2.297 0.03 2 185 1500 20 TYR HD1 H 6.831 0.03 3 186 1500 20 TYR HD2 H 6.831 0.03 3 187 1500 20 TYR HE1 H 6.796 0.03 3 188 1500 20 TYR HE2 H 6.796 0.03 3 189 1500 20 TYR C C 175.189 0.30 1 190 1500 20 TYR CA C 57.564 0.30 1 191 1500 20 TYR CB C 39.894 0.30 1 192 1500 20 TYR CD1 C 133.014 0.30 3 193 1500 20 TYR CD2 C 133.014 0.30 3 194 1500 20 TYR CE1 C 118.262 0.30 3 195 1500 20 TYR CE2 C 118.262 0.30 3 196 1500 20 TYR N N 115.026 0.30 1 197 1501 21 PHE H H 9.793 0.03 1 198 1501 21 PHE HA H 5.089 0.03 1 199 1501 21 PHE HB2 H 3.028 0.03 2 200 1501 21 PHE HB3 H 2.586 0.03 2 201 1501 21 PHE HD1 H 6.952 0.03 3 202 1501 21 PHE HD2 H 6.952 0.03 3 203 1501 21 PHE HE1 H 7.080 0.03 3 204 1501 21 PHE HE2 H 7.080 0.03 3 205 1501 21 PHE HZ H 7.142 0.03 1 206 1501 21 PHE C C 175.288 0.30 1 207 1501 21 PHE CA C 55.533 0.30 1 208 1501 21 PHE CB C 40.650 0.30 1 209 1501 21 PHE CD1 C 131.484 0.30 3 210 1501 21 PHE CD2 C 131.484 0.30 3 211 1501 21 PHE CE1 C 131.468 0.30 3 212 1501 21 PHE CE2 C 131.468 0.30 3 213 1501 21 PHE CZ C 129.436 0.30 1 214 1501 21 PHE N N 117.565 0.30 1 215 1502 22 TYR H H 9.104 0.03 1 216 1502 22 TYR HA H 5.094 0.03 1 217 1502 22 TYR HB2 H 3.404 0.03 2 218 1502 22 TYR HB3 H 3.022 0.03 2 219 1502 22 TYR HD1 H 6.902 0.03 3 220 1502 22 TYR HD2 H 6.902 0.03 3 221 1502 22 TYR HE1 H 6.584 0.03 3 222 1502 22 TYR HE2 H 6.584 0.03 3 223 1502 22 TYR C C 176.449 0.30 1 224 1502 22 TYR CA C 56.608 0.30 1 225 1502 22 TYR CB C 43.572 0.30 1 226 1502 22 TYR CD1 C 132.670 0.30 3 227 1502 22 TYR CD2 C 132.670 0.30 3 228 1502 22 TYR CE1 C 117.152 0.30 3 229 1502 22 TYR CE2 C 117.152 0.30 3 230 1502 22 TYR N N 119.247 0.30 1 231 1503 23 SER H H 9.630 0.03 1 232 1503 23 SER HA H 4.976 0.03 1 233 1503 23 SER HB2 H 4.474 0.03 2 234 1503 23 SER HB3 H 4.190 0.03 2 235 1503 23 SER CA C 59.426 0.30 1 236 1503 23 SER CB C 63.889 0.30 1 237 1503 23 SER N N 116.361 0.30 1 238 1504 24 GLY H H 8.534 0.03 1 239 1504 24 GLY HA2 H 4.518 0.03 2 240 1504 24 GLY HA3 H 3.712 0.03 2 241 1504 24 GLY C C 170.657 0.30 1 242 1504 24 GLY CA C 46.875 0.30 1 243 1504 24 GLY N N 111.628 0.30 1 244 1505 25 LYS H H 8.227 0.03 1 245 1505 25 LYS HA H 5.334 0.03 1 246 1505 25 LYS HB2 H 1.559 0.03 2 247 1505 25 LYS HB3 H 1.497 0.03 2 248 1505 25 LYS HG2 H 1.262 0.03 2 249 1505 25 LYS HG3 H 1.262 0.03 2 250 1505 25 LYS HD2 H 1.585 0.03 2 251 1505 25 LYS HD3 H 1.585 0.03 2 252 1505 25 LYS HE2 H 2.870 0.03 2 253 1505 25 LYS HE3 H 2.870 0.03 2 254 1505 25 LYS C C 172.626 0.30 1 255 1505 25 LYS CA C 54.768 0.30 1 256 1505 25 LYS CB C 36.863 0.30 1 257 1505 25 LYS CG C 24.425 0.30 1 258 1505 25 LYS CD C 29.754 0.30 1 259 1505 25 LYS CE C 41.911 0.30 1 260 1505 25 LYS N N 119.714 0.30 1 261 1506 26 ILE H H 8.152 0.03 1 262 1506 26 ILE HA H 4.417 0.03 1 263 1506 26 ILE HB H 2.163 0.03 1 264 1506 26 ILE HG12 H 1.646 0.03 1 265 1506 26 ILE HG13 H 0.697 0.03 1 266 1506 26 ILE HG2 H 0.994 0.03 1 267 1506 26 ILE HD1 H 0.540 0.03 1 268 1506 26 ILE C C 177.667 0.30 1 269 1506 26 ILE CA C 62.460 0.30 1 270 1506 26 ILE CB C 37.786 0.30 1 271 1506 26 ILE CG1 C 28.470 0.30 1 272 1506 26 ILE CG2 C 18.899 0.30 1 273 1506 26 ILE CD1 C 13.794 0.30 1 274 1506 26 ILE N N 122.743 0.30 1 275 1507 27 THR H H 9.552 0.03 1 276 1507 27 THR HA H 4.654 0.03 1 277 1507 27 THR HB H 4.250 0.03 1 278 1507 27 THR HG2 H 1.156 0.03 1 279 1507 27 THR C C 175.784 0.30 1 280 1507 27 THR CA C 62.119 0.30 1 281 1507 27 THR CB C 69.759 0.30 1 282 1507 27 THR CG2 C 23.382 0.30 1 283 1507 27 THR N N 120.292 0.30 1 284 1508 28 ARG H H 7.631 0.03 1 285 1508 28 ARG HA H 4.438 0.03 1 286 1508 28 ARG HB2 H 1.900 0.03 2 287 1508 28 ARG HB3 H 1.664 0.03 2 288 1508 28 ARG HG2 H 1.522 0.03 2 289 1508 28 ARG HG3 H 1.693 0.03 2 290 1508 28 ARG HD2 H 3.137 0.03 2 291 1508 28 ARG HD3 H 3.137 0.03 2 292 1508 28 ARG C C 173.787 0.30 1 293 1508 28 ARG CA C 56.887 0.30 1 294 1508 28 ARG CB C 34.603 0.30 1 295 1508 28 ARG CG C 27.450 0.30 1 296 1508 28 ARG CD C 43.659 0.30 1 297 1508 28 ARG N N 119.639 0.30 1 298 1509 29 ASP H H 9.080 0.03 1 299 1509 29 ASP HA H 4.734 0.03 1 300 1509 29 ASP HB2 H 2.589 0.03 2 301 1509 29 ASP HB3 H 3.030 0.03 2 302 1509 29 ASP C C 176.492 0.30 1 303 1509 29 ASP CA C 53.979 0.30 1 304 1509 29 ASP CB C 41.160 0.30 1 305 1509 29 ASP N N 126.352 0.30 1 306 1510 30 VAL H H 7.400 0.03 1 307 1510 30 VAL HA H 4.138 0.03 1 308 1510 30 VAL HB H 2.081 0.03 1 309 1510 30 VAL HG1 H 0.863 0.03 2 310 1510 30 VAL HG2 H 0.670 0.03 2 311 1510 30 VAL C C 175.925 0.30 1 312 1510 30 VAL CA C 62.299 0.30 1 313 1510 30 VAL CB C 31.559 0.30 1 314 1510 30 VAL CG1 C 22.130 0.30 1 315 1510 30 VAL CG2 C 20.602 0.30 1 316 1510 30 VAL N N 120.846 0.30 1 317 1511 31 GLY H H 7.908 0.03 1 318 1511 31 GLY HA2 H 4.302 0.03 2 319 1511 31 GLY HA3 H 3.755 0.03 2 320 1511 31 GLY C C 173.730 0.30 1 321 1511 31 GLY CA C 44.422 0.30 1 322 1511 31 GLY N N 110.892 0.30 1 323 1512 32 ALA H H 8.733 0.03 1 324 1512 32 ALA HA H 4.016 0.03 1 325 1512 32 ALA HB H 1.385 0.03 1 326 1512 32 ALA C C 177.483 0.30 1 327 1512 32 ALA CA C 52.736 0.30 1 328 1512 32 ALA CB C 17.278 0.30 1 329 1512 32 ALA N N 120.402 0.30 1 330 1513 33 GLY H H 8.395 0.03 1 331 1513 33 GLY HA2 H 4.173 0.03 2 332 1513 33 GLY HA3 H 3.736 0.03 2 333 1513 33 GLY C C 173.603 0.30 1 334 1513 33 GLY CA C 45.947 0.30 1 335 1513 33 GLY N N 105.203 0.30 1 336 1514 34 LYS H H 7.407 0.03 1 337 1514 34 LYS HA H 4.947 0.03 1 338 1514 34 LYS HB2 H 1.670 0.03 2 339 1514 34 LYS HB3 H 1.442 0.03 2 340 1514 34 LYS HG2 H 1.156 0.03 2 341 1514 34 LYS HG3 H 1.026 0.03 2 342 1514 34 LYS HD2 H 1.363 0.03 2 343 1514 34 LYS HD3 H 1.363 0.03 2 344 1514 34 LYS HE2 H 2.883 0.03 2 345 1514 34 LYS HE3 H 2.883 0.03 2 346 1514 34 LYS C C 174.282 0.30 1 347 1514 34 LYS CA C 55.397 0.30 1 348 1514 34 LYS CB C 35.752 0.30 1 349 1514 34 LYS CG C 25.729 0.30 1 350 1514 34 LYS CD C 29.589 0.30 1 351 1514 34 LYS CE C 42.157 0.30 1 352 1514 34 LYS N N 119.776 0.30 1 353 1515 35 TYR H H 8.837 0.03 1 354 1515 35 TYR HA H 4.845 0.03 1 355 1515 35 TYR HB2 H 3.018 0.03 2 356 1515 35 TYR HB3 H 3.018 0.03 2 357 1515 35 TYR HD1 H 7.053 0.03 3 358 1515 35 TYR HD2 H 7.053 0.03 3 359 1515 35 TYR HE1 H 6.785 0.03 3 360 1515 35 TYR HE2 H 6.785 0.03 3 361 1515 35 TYR C C 173.943 0.30 1 362 1515 35 TYR CA C 57.520 0.30 1 363 1515 35 TYR CB C 40.651 0.30 1 364 1515 35 TYR CD1 C 133.138 0.30 3 365 1515 35 TYR CD2 C 133.138 0.30 3 366 1515 35 TYR CE1 C 118.108 0.30 3 367 1515 35 TYR CE2 C 118.108 0.30 3 368 1515 35 TYR N N 119.614 0.30 1 369 1516 36 LYS H H 9.082 0.03 1 370 1516 36 LYS HA H 4.901 0.03 1 371 1516 36 LYS HB2 H 1.539 0.03 2 372 1516 36 LYS HB3 H 1.788 0.03 2 373 1516 36 LYS HG2 H 1.315 0.03 2 374 1516 36 LYS HG3 H 1.315 0.03 2 375 1516 36 LYS HD2 H 1.420 0.03 2 376 1516 36 LYS HD3 H 1.657 0.03 2 377 1516 36 LYS HE2 H 2.912 0.03 2 378 1516 36 LYS HE3 H 2.753 0.03 2 379 1516 36 LYS C C 174.240 0.30 1 380 1516 36 LYS CA C 56.313 0.30 1 381 1516 36 LYS CB C 32.639 0.30 1 382 1516 36 LYS CG C 23.639 0.30 1 383 1516 36 LYS CD C 28.010 0.30 1 384 1516 36 LYS CE C 40.532 0.30 1 385 1516 36 LYS N N 124.191 0.30 1 386 1517 37 LEU H H 9.201 0.03 1 387 1517 37 LEU HA H 4.790 0.03 1 388 1517 37 LEU HB2 H 1.201 0.03 2 389 1517 37 LEU HB3 H 1.468 0.03 2 390 1517 37 LEU HG H 1.271 0.03 1 391 1517 37 LEU HD1 H 0.424 0.03 2 392 1517 37 LEU HD2 H 0.117 0.03 2 393 1517 37 LEU C C 175.316 0.30 1 394 1517 37 LEU CA C 51.977 0.30 1 395 1517 37 LEU CB C 45.043 0.30 1 396 1517 37 LEU CG C 28.220 0.30 1 397 1517 37 LEU CD1 C 24.820 0.30 1 398 1517 37 LEU CD2 C 24.041 0.30 1 399 1517 37 LEU N N 132.460 0.30 1 400 1518 38 LEU H H 8.533 0.03 1 401 1518 38 LEU HA H 4.892 0.03 1 402 1518 38 LEU HB2 H 1.748 0.03 2 403 1518 38 LEU HB3 H 1.430 0.03 2 404 1518 38 LEU HG H 1.466 0.03 1 405 1518 38 LEU HD1 H 0.877 0.03 2 406 1518 38 LEU HD2 H 0.883 0.03 2 407 1518 38 LEU C C 177.624 0.30 1 408 1518 38 LEU CA C 53.544 0.30 1 409 1518 38 LEU CB C 44.054 0.30 1 410 1518 38 LEU CG C 27.149 0.30 1 411 1518 38 LEU CD1 C 26.376 0.30 1 412 1518 38 LEU CD2 C 23.288 0.30 1 413 1518 38 LEU N N 122.433 0.30 1 414 1519 39 PHE H H 9.688 0.03 1 415 1519 39 PHE HA H 4.828 0.03 1 416 1519 39 PHE HB2 H 3.387 0.03 2 417 1519 39 PHE HB3 H 3.479 0.03 2 418 1519 39 PHE HD1 H 7.145 0.03 3 419 1519 39 PHE HD2 H 7.145 0.03 3 420 1519 39 PHE HE1 H 7.370 0.03 3 421 1519 39 PHE HE2 H 7.370 0.03 3 422 1519 39 PHE HZ H 7.261 0.03 1 423 1519 39 PHE C C 178.120 0.30 1 424 1519 39 PHE CA C 60.467 0.30 1 425 1519 39 PHE CB C 39.810 0.30 1 426 1519 39 PHE CE1 C 131.979 0.30 3 427 1519 39 PHE CE2 C 131.979 0.30 3 428 1519 39 PHE N N 129.267 0.30 1 429 1520 40 ASP H H 8.929 0.03 1 430 1520 40 ASP HA H 4.599 0.03 1 431 1520 40 ASP HB2 H 3.045 0.03 2 432 1520 40 ASP HB3 H 2.607 0.03 2 433 1520 40 ASP C C 176.336 0.30 1 434 1520 40 ASP CA C 57.526 0.30 1 435 1520 40 ASP CB C 40.080 0.30 1 436 1520 40 ASP N N 123.179 0.30 1 437 1521 41 ASP H H 8.155 0.03 1 438 1521 41 ASP HA H 4.547 0.03 1 439 1521 41 ASP HB2 H 3.080 0.03 2 440 1521 41 ASP HB3 H 2.680 0.03 2 441 1521 41 ASP C C 177.001 0.30 1 442 1521 41 ASP CA C 53.931 0.30 1 443 1521 41 ASP CB C 39.423 0.30 1 444 1521 41 ASP N N 116.735 0.30 1 445 1522 42 GLY H H 8.421 0.03 1 446 1522 42 GLY HA2 H 4.436 0.03 2 447 1522 42 GLY HA3 H 3.650 0.03 2 448 1522 42 GLY C C 173.900 0.30 1 449 1522 42 GLY CA C 45.186 0.30 1 450 1522 42 GLY N N 108.795 0.30 1 451 1523 43 TYR H H 7.686 0.03 1 452 1523 43 TYR HA H 4.477 0.03 1 453 1523 43 TYR HB2 H 2.803 0.03 2 454 1523 43 TYR HB3 H 2.803 0.03 2 455 1523 43 TYR HD1 H 7.040 0.03 3 456 1523 43 TYR HD2 H 7.040 0.03 3 457 1523 43 TYR HE1 H 6.762 0.03 3 458 1523 43 TYR HE2 H 6.762 0.03 3 459 1523 43 TYR C C 174.594 0.30 1 460 1523 43 TYR CA C 58.524 0.30 1 461 1523 43 TYR CB C 39.207 0.30 1 462 1523 43 TYR CD1 C 133.300 0.30 3 463 1523 43 TYR CD2 C 133.700 0.30 3 464 1523 43 TYR CE1 C 118.101 0.30 3 465 1523 43 TYR CE2 C 118.101 0.30 3 466 1523 43 TYR N N 122.586 0.30 1 467 1524 44 GLU H H 7.819 0.03 1 468 1524 44 GLU HA H 5.753 0.03 1 469 1524 44 GLU HB2 H 1.827 0.03 2 470 1524 44 GLU HB3 H 1.929 0.03 2 471 1524 44 GLU HG2 H 2.162 0.03 2 472 1524 44 GLU HG3 H 1.990 0.03 2 473 1524 44 GLU C C 176.463 0.30 1 474 1524 44 GLU CA C 54.096 0.30 1 475 1524 44 GLU CB C 33.763 0.30 1 476 1524 44 GLU CG C 37.501 0.30 1 477 1524 44 GLU N N 126.487 0.30 1 478 1525 45 CYS H H 8.606 0.03 1 479 1525 45 CYS HA H 4.733 0.03 1 480 1525 45 CYS HB2 H 3.107 0.03 2 481 1525 45 CYS HB3 H 2.890 0.03 2 482 1525 45 CYS C C 171.634 0.30 1 483 1525 45 CYS CA C 57.000 0.30 1 484 1525 45 CYS CB C 31.033 0.30 1 485 1525 45 CYS N N 118.975 0.30 1 486 1526 46 ASP H H 8.576 0.03 1 487 1526 46 ASP HA H 5.608 0.03 1 488 1526 46 ASP HB2 H 2.651 0.03 2 489 1526 46 ASP HB3 H 2.243 0.03 2 490 1526 46 ASP C C 176.676 0.30 1 491 1526 46 ASP CA C 53.866 0.30 1 492 1526 46 ASP CB C 41.159 0.30 1 493 1526 46 ASP N N 121.783 0.30 1 494 1527 47 VAL H H 9.626 0.03 1 495 1527 47 VAL HA H 4.542 0.03 1 496 1527 47 VAL HB H 2.031 0.03 1 497 1527 47 VAL HG1 H 1.317 0.03 2 498 1527 47 VAL HG2 H 1.114 0.03 2 499 1527 47 VAL C C 175.104 0.30 1 500 1527 47 VAL CA C 61.249 0.30 1 501 1527 47 VAL CB C 36.485 0.30 1 502 1527 47 VAL CG1 C 22.754 0.30 1 503 1527 47 VAL CG2 C 22.662 0.30 1 504 1527 47 VAL N N 123.861 0.30 1 505 1528 48 LEU H H 9.063 0.03 1 506 1528 48 LEU HA H 4.714 0.03 1 507 1528 48 LEU HB2 H 1.748 0.03 2 508 1528 48 LEU HB3 H 1.869 0.03 2 509 1528 48 LEU HG H 1.883 0.03 1 510 1528 48 LEU HD1 H 0.986 0.03 2 511 1528 48 LEU HD2 H 1.033 0.03 2 512 1528 48 LEU C C 179.281 0.30 1 513 1528 48 LEU CA C 55.254 0.30 1 514 1528 48 LEU CB C 43.104 0.30 1 515 1528 48 LEU CG C 27.452 0.30 1 516 1528 48 LEU CD1 C 23.583 0.30 1 517 1528 48 LEU CD2 C 25.641 0.30 1 518 1528 48 LEU N N 125.944 0.30 1 519 1529 49 GLY H H 9.074 0.03 1 520 1529 49 GLY HA2 H 4.193 0.03 2 521 1529 49 GLY HA3 H 3.794 0.03 2 522 1529 49 GLY C C 175.302 0.30 1 523 1529 49 GLY CA C 48.297 0.30 1 524 1529 49 GLY N N 109.273 0.30 1 525 1530 50 LYS H H 7.910 0.03 1 526 1530 50 LYS HA H 4.292 0.03 1 527 1530 50 LYS HB2 H 1.899 0.03 2 528 1530 50 LYS HB3 H 1.899 0.03 2 529 1530 50 LYS HG2 H 1.389 0.03 2 530 1530 50 LYS HG3 H 1.443 0.03 2 531 1530 50 LYS HD2 H 1.760 0.03 2 532 1530 50 LYS HD3 H 1.672 0.03 2 533 1530 50 LYS HE2 H 3.027 0.03 2 534 1530 50 LYS HE3 H 3.027 0.03 2 535 1530 50 LYS C C 176.123 0.30 1 536 1530 50 LYS CA C 58.070 0.30 1 537 1530 50 LYS CB C 31.868 0.30 1 538 1530 50 LYS CG C 23.745 0.30 1 539 1530 50 LYS CD C 29.344 0.30 1 540 1530 50 LYS CE C 42.138 0.30 1 541 1530 50 LYS N N 115.364 0.30 1 542 1531 51 ASP H H 8.112 0.03 1 543 1531 51 ASP HA H 5.058 0.03 1 544 1531 51 ASP HB2 H 2.879 0.03 2 545 1531 51 ASP HB3 H 3.270 0.03 2 546 1531 51 ASP C C 173.475 0.30 1 547 1531 51 ASP CA C 54.388 0.30 1 548 1531 51 ASP CB C 42.306 0.30 1 549 1531 51 ASP N N 120.601 0.30 1 550 1532 52 ILE H H 7.656 0.03 1 551 1532 52 ILE HA H 4.469 0.03 1 552 1532 52 ILE HB H 1.899 0.03 1 553 1532 52 ILE HG12 H 2.054 0.03 1 554 1532 52 ILE HG13 H 0.604 0.03 1 555 1532 52 ILE HG2 H 0.674 0.03 1 556 1532 52 ILE HD1 H 0.625 0.03 1 557 1532 52 ILE C C 174.169 0.30 1 558 1532 52 ILE CA C 62.029 0.30 1 559 1532 52 ILE CB C 40.176 0.30 1 560 1532 52 ILE CG1 C 27.634 0.30 1 561 1532 52 ILE CG2 C 18.673 0.30 1 562 1532 52 ILE CD1 C 15.247 0.30 1 563 1532 52 ILE N N 118.540 0.30 1 564 1533 53 LEU H H 9.124 0.03 1 565 1533 53 LEU HA H 4.796 0.03 1 566 1533 53 LEU HB2 H 1.056 0.03 2 567 1533 53 LEU HB3 H 2.032 0.03 2 568 1533 53 LEU HG H 1.542 0.03 1 569 1533 53 LEU HD1 H 0.228 0.03 2 570 1533 53 LEU HD2 H 0.601 0.03 2 571 1533 53 LEU C C 176.945 0.30 1 572 1533 53 LEU CA C 52.827 0.30 1 573 1533 53 LEU CB C 43.727 0.30 1 574 1533 53 LEU CG C 26.176 0.30 1 575 1533 53 LEU CD1 C 26.185 0.30 1 576 1533 53 LEU CD2 C 22.954 0.30 1 577 1533 53 LEU N N 124.686 0.30 1 578 1534 54 LEU H H 9.376 0.03 1 579 1534 54 LEU HA H 4.467 0.03 1 580 1534 54 LEU HB2 H 1.957 0.03 2 581 1534 54 LEU HB3 H 1.629 0.03 2 582 1534 54 LEU HG H 1.623 0.03 1 583 1534 54 LEU HD1 H 0.846 0.03 2 584 1534 54 LEU HD2 H 0.764 0.03 2 585 1534 54 LEU C C 175.585 0.30 1 586 1534 54 LEU CA C 53.999 0.30 1 587 1534 54 LEU CB C 40.525 0.30 1 588 1534 54 LEU CG C 26.931 0.30 1 589 1534 54 LEU CD1 C 25.635 0.30 1 590 1534 54 LEU CD2 C 24.484 0.30 1 591 1534 54 LEU N N 126.922 0.30 1 592 1535 55 CYS H H 7.364 0.03 1 593 1535 55 CYS HA H 4.297 0.03 1 594 1535 55 CYS HB2 H 1.878 0.03 2 595 1535 55 CYS HB3 H 2.211 0.03 2 596 1535 55 CYS C C 172.597 0.30 1 597 1535 55 CYS CA C 55.322 0.30 1 598 1535 55 CYS CB C 28.763 0.30 1 599 1535 55 CYS N N 119.014 0.30 1 600 1536 56 ASP H H 8.195 0.03 1 601 1536 56 ASP HA H 4.515 0.03 1 602 1536 56 ASP HB2 H 2.548 0.03 2 603 1536 56 ASP HB3 H 2.548 0.03 2 604 1536 56 ASP C C 172.730 0.30 1 605 1536 56 ASP CA C 52.403 0.30 1 606 1536 56 ASP CB C 43.271 0.30 1 607 1536 56 ASP N N 122.315 0.30 1 608 1537 57 PRO HA H 4.656 0.03 1 609 1537 57 PRO HB2 H 1.812 0.03 2 610 1537 57 PRO HB3 H 1.977 0.03 2 611 1537 57 PRO HG2 H 1.106 0.03 2 612 1537 57 PRO HG3 H 1.106 0.03 2 613 1537 57 PRO HD2 H 3.296 0.03 2 614 1537 57 PRO HD3 H 3.342 0.03 2 615 1537 57 PRO C C 175.982 0.30 1 616 1537 57 PRO CA C 62.843 0.30 1 617 1537 57 PRO CB C 35.063 0.30 1 618 1537 57 PRO CG C 24.180 0.30 1 619 1537 57 PRO CD C 49.676 0.30 1 620 1538 58 ILE H H 9.022 0.03 1 621 1538 58 ILE HA H 3.903 0.03 1 622 1538 58 ILE HB H 1.596 0.03 1 623 1538 58 ILE HG12 H 1.760 0.03 1 624 1538 58 ILE HG13 H 0.684 0.03 1 625 1538 58 ILE HG2 H 0.835 0.03 1 626 1538 58 ILE HD1 H 0.531 0.03 1 627 1538 58 ILE CA C 61.292 0.30 1 628 1538 58 ILE CB C 38.783 0.30 1 629 1538 58 ILE CG1 C 29.579 0.30 1 630 1538 58 ILE CG2 C 17.894 0.30 1 631 1538 58 ILE CD1 C 13.647 0.30 1 632 1538 58 ILE N N 122.226 0.30 1 633 1539 59 PRO HA H 4.503 0.03 1 634 1539 59 PRO HB2 H 2.445 0.03 2 635 1539 59 PRO HB3 H 1.943 0.03 2 636 1539 59 PRO HG2 H 1.884 0.03 2 637 1539 59 PRO HG3 H 1.929 0.03 2 638 1539 59 PRO HD2 H 3.553 0.03 2 639 1539 59 PRO HD3 H 3.365 0.03 2 640 1539 59 PRO C C 178.247 0.30 1 641 1539 59 PRO CA C 62.870 0.30 1 642 1539 59 PRO CB C 33.044 0.30 1 643 1539 59 PRO CG C 27.159 0.30 1 644 1539 59 PRO CD C 51.526 0.30 1 645 1540 60 LEU H H 8.560 0.03 1 646 1540 60 LEU HA H 3.707 0.03 1 647 1540 60 LEU HB2 H 1.499 0.03 2 648 1540 60 LEU HB3 H 1.704 0.03 2 649 1540 60 LEU HG H 1.778 0.03 1 650 1540 60 LEU HD1 H 0.647 0.03 2 651 1540 60 LEU HD2 H 0.944 0.03 2 652 1540 60 LEU C C 176.562 0.30 1 653 1540 60 LEU CA C 56.553 0.30 1 654 1540 60 LEU CB C 42.282 0.30 1 655 1540 60 LEU CG C 27.062 0.30 1 656 1540 60 LEU CD1 C 23.119 0.30 1 657 1540 60 LEU CD2 C 25.049 0.30 1 658 1540 60 LEU N N 120.313 0.30 1 659 1541 61 ASP H H 9.389 0.03 1 660 1541 61 ASP HA H 4.249 0.03 1 661 1541 61 ASP HB2 H 3.012 0.03 2 662 1541 61 ASP HB3 H 2.888 0.03 2 663 1541 61 ASP C C 175.217 0.30 1 664 1541 61 ASP CA C 56.629 0.30 1 665 1541 61 ASP CB C 38.025 0.30 1 666 1541 61 ASP N N 115.687 0.30 1 667 1542 62 THR H H 7.318 0.03 1 668 1542 62 THR HA H 4.164 0.03 1 669 1542 62 THR HB H 3.653 0.03 1 670 1542 62 THR HG1 H 5.619 0.03 1 671 1542 62 THR HG2 H 1.114 0.03 1 672 1542 62 THR C C 173.758 0.30 1 673 1542 62 THR CA C 63.561 0.30 1 674 1542 62 THR CB C 69.600 0.30 1 675 1542 62 THR CG2 C 22.648 0.30 1 676 1542 62 THR N N 115.965 0.30 1 677 1543 63 GLU H H 8.712 0.03 1 678 1543 63 GLU HA H 4.767 0.03 1 679 1543 63 GLU HB2 H 2.009 0.03 2 680 1543 63 GLU HB3 H 2.009 0.03 2 681 1543 63 GLU HG2 H 2.232 0.03 2 682 1543 63 GLU HG3 H 2.315 0.03 2 683 1543 63 GLU C C 174.721 0.30 1 684 1543 63 GLU CA C 56.762 0.30 1 685 1543 63 GLU CB C 30.250 0.30 1 686 1543 63 GLU CG C 36.878 0.30 1 687 1543 63 GLU N N 128.566 0.30 1 688 1544 64 VAL H H 8.847 0.03 1 689 1544 64 VAL HA H 4.703 0.03 1 690 1544 64 VAL HB H 2.085 0.03 1 691 1544 64 VAL HG1 H 0.345 0.03 2 692 1544 64 VAL HG2 H 0.497 0.03 2 693 1544 64 VAL C C 172.721 0.30 1 694 1544 64 VAL CA C 58.814 0.30 1 695 1544 64 VAL CB C 34.897 0.30 1 696 1544 64 VAL CG1 C 18.206 0.30 1 697 1544 64 VAL CG2 C 22.213 0.30 1 698 1544 64 VAL N N 118.172 0.30 1 699 1545 65 THR H H 8.887 0.03 1 700 1545 65 THR HA H 4.715 0.03 1 701 1545 65 THR HB H 3.859 0.03 1 702 1545 65 THR HG1 H 5.532 0.03 1 703 1545 65 THR HG2 H 0.961 0.03 1 704 1545 65 THR C C 170.983 0.30 1 705 1545 65 THR CA C 62.923 0.30 1 706 1545 65 THR CB C 70.454 0.30 1 707 1545 65 THR CG2 C 21.014 0.30 1 708 1545 65 THR N N 117.572 0.30 1 709 1546 66 ALA H H 8.807 0.03 1 710 1546 66 ALA HA H 5.041 0.03 1 711 1546 66 ALA HB H 0.421 0.03 1 712 1546 66 ALA C C 175.104 0.30 1 713 1546 66 ALA CA C 49.979 0.30 1 714 1546 66 ALA CB C 20.225 0.30 1 715 1546 66 ALA N N 128.644 0.30 1 716 1547 67 LEU H H 9.080 0.03 1 717 1547 67 LEU HA H 4.684 0.03 1 718 1547 67 LEU HB2 H 1.633 0.03 2 719 1547 67 LEU HB3 H 1.529 0.03 2 720 1547 67 LEU HG H 1.530 0.03 1 721 1547 67 LEU HD1 H 0.603 0.03 2 722 1547 67 LEU HD2 H 0.574 0.03 2 723 1547 67 LEU C C 176.477 0.30 1 724 1547 67 LEU CA C 54.474 0.30 1 725 1547 67 LEU CB C 43.248 0.30 1 726 1547 67 LEU CG C 27.065 0.30 1 727 1547 67 LEU CD1 C 24.543 0.30 1 728 1547 67 LEU CD2 C 24.340 0.30 1 729 1547 67 LEU N N 125.822 0.30 1 730 1548 68 SER H H 8.557 0.03 1 731 1548 68 SER HA H 4.840 0.03 1 732 1548 68 SER HB2 H 4.079 0.03 2 733 1548 68 SER HB3 H 4.235 0.03 2 734 1548 68 SER CA C 57.445 0.30 1 735 1548 68 SER CB C 65.275 0.30 1 736 1548 68 SER N N 118.400 0.30 1 737 1549 69 GLU HA H 4.036 0.03 1 738 1549 69 GLU HB2 H 2.081 0.03 2 739 1549 69 GLU HB3 H 2.081 0.03 2 740 1549 69 GLU HG2 H 2.308 0.03 2 741 1549 69 GLU HG3 H 2.308 0.03 2 742 1549 69 GLU C C 175.090 0.30 1 743 1549 69 GLU CA C 57.179 0.30 1 744 1549 69 GLU CB C 29.167 0.30 1 745 1549 69 GLU CG C 36.700 0.30 1 746 1550 70 ASP H H 8.341 0.03 1 747 1550 70 ASP HA H 4.610 0.03 1 748 1550 70 ASP HB2 H 2.782 0.03 2 749 1550 70 ASP HB3 H 2.782 0.03 2 750 1550 70 ASP CA C 54.387 0.30 1 751 1550 70 ASP CB C 40.505 0.30 1 752 1550 70 ASP N N 116.160 0.30 1 753 1551 71 GLU H H 7.990 0.03 1 754 1551 71 GLU HA H 4.239 0.03 1 755 1551 71 GLU HB2 H 2.173 0.03 2 756 1551 71 GLU HB3 H 2.107 0.03 2 757 1551 71 GLU HG2 H 2.412 0.03 2 758 1551 71 GLU HG3 H 2.412 0.03 2 759 1551 71 GLU C C 173.914 0.30 1 760 1551 71 GLU CA C 58.792 0.30 1 761 1551 71 GLU CB C 29.145 0.30 1 762 1551 71 GLU CG C 36.620 0.30 1 763 1551 71 GLU N N 114.638 0.30 1 764 1552 72 TYR H H 7.894 0.03 1 765 1552 72 TYR HA H 4.715 0.03 1 766 1552 72 TYR HB2 H 2.966 0.03 2 767 1552 72 TYR HB3 H 2.966 0.03 2 768 1552 72 TYR HD1 H 7.057 0.03 3 769 1552 72 TYR HE1 H 6.785 0.03 3 770 1552 72 TYR CA C 57.850 0.30 1 771 1552 72 TYR CB C 39.110 0.30 1 772 1552 72 TYR CD1 C 133.138 0.30 3 773 1552 72 TYR CE1 C 118.154 0.30 3 774 1552 72 TYR N N 119.382 0.30 1 775 1553 73 PHE H H 8.352 0.03 1 776 1553 73 PHE HA H 4.712 0.03 1 777 1553 73 PHE HB2 H 2.939 0.03 2 778 1553 73 PHE HB3 H 2.939 0.03 2 779 1553 73 PHE HD1 H 6.952 0.03 3 780 1553 73 PHE HD2 H 6.952 0.03 3 781 1553 73 PHE HE1 H 7.081 0.03 3 782 1553 73 PHE HE2 H 7.081 0.03 3 783 1553 73 PHE CA C 56.800 0.30 1 784 1553 73 PHE CB C 40.620 0.30 1 785 1553 73 PHE CD1 C 131.483 0.30 3 786 1553 73 PHE CD2 C 131.483 0.30 3 787 1553 73 PHE CE1 C 131.458 0.30 3 788 1553 73 PHE CE2 C 131.458 0.30 3 789 1553 73 PHE N N 122.012 0.30 1 790 1554 74 SER H H 8.410 0.03 1 791 1554 74 SER HA H 4.725 0.03 1 792 1554 74 SER HB2 H 3.932 0.03 2 793 1554 74 SER HB3 H 3.867 0.03 2 794 1554 74 SER C C 172.895 0.30 1 795 1554 74 SER CA C 57.543 0.30 1 796 1554 74 SER CB C 65.268 0.30 1 797 1554 74 SER N N 114.762 0.30 1 798 1555 75 ALA H H 8.660 0.03 1 799 1555 75 ALA HA H 5.261 0.03 1 800 1555 75 ALA HB H 1.378 0.03 1 801 1555 75 ALA C C 177.724 0.30 1 802 1555 75 ALA CA C 51.647 0.30 1 803 1555 75 ALA CB C 19.791 0.30 1 804 1555 75 ALA N N 126.445 0.30 1 805 1556 76 GLY H H 8.427 0.03 1 806 1556 76 GLY HA2 H 4.433 0.03 2 807 1556 76 GLY HA3 H 3.547 0.03 2 808 1556 76 GLY C C 171.238 0.30 1 809 1556 76 GLY CA C 45.149 0.30 1 810 1556 76 GLY N N 106.670 0.30 1 811 1557 77 VAL H H 8.259 0.03 1 812 1557 77 VAL HA H 4.963 0.03 1 813 1557 77 VAL HB H 1.789 0.03 1 814 1557 77 VAL HG1 H 0.927 0.03 2 815 1557 77 VAL HG2 H 0.812 0.03 2 816 1557 77 VAL C C 174.197 0.30 1 817 1557 77 VAL CA C 60.467 0.30 1 818 1557 77 VAL CB C 35.543 0.30 1 819 1557 77 VAL CG1 C 21.870 0.30 1 820 1557 77 VAL CG2 C 21.808 0.30 1 821 1557 77 VAL N N 118.012 0.30 1 822 1558 78 VAL H H 8.422 0.03 1 823 1558 78 VAL HA H 4.003 0.03 1 824 1558 78 VAL HB H 2.269 0.03 1 825 1558 78 VAL HG1 H 0.817 0.03 1 826 1558 78 VAL HG2 H 1.050 0.03 2 827 1558 78 VAL C C 176.619 0.30 1 828 1558 78 VAL CA C 64.500 0.30 1 829 1558 78 VAL CB C 32.741 0.30 1 830 1558 78 VAL CG1 C 22.608 0.30 1 831 1558 78 VAL CG2 C 22.937 0.30 1 832 1558 78 VAL N N 126.251 0.30 1 833 1559 79 LYS H H 9.494 0.03 1 834 1559 79 LYS HA H 4.756 0.03 1 835 1559 79 LYS HB2 H 1.922 0.03 2 836 1559 79 LYS HB3 H 1.922 0.03 2 837 1559 79 LYS HG2 H 1.283 0.03 2 838 1559 79 LYS HG3 H 1.430 0.03 2 839 1559 79 LYS HD2 H 1.445 0.03 2 840 1559 79 LYS HD3 H 1.445 0.03 2 841 1559 79 LYS HE2 H 2.633 0.03 2 842 1559 79 LYS HE3 H 2.853 0.03 2 843 1559 79 LYS C C 176.024 0.30 1 844 1559 79 LYS CA C 52.993 0.30 1 845 1559 79 LYS CB C 34.486 0.30 1 846 1559 79 LYS CG C 24.754 0.30 1 847 1559 79 LYS CD C 27.449 0.30 1 848 1559 79 LYS CE C 42.357 0.30 1 849 1559 79 LYS N N 126.551 0.30 1 850 1560 80 GLY H H 7.459 0.03 1 851 1560 80 GLY HA2 H 4.051 0.03 2 852 1560 80 GLY HA3 H 4.051 0.03 2 853 1560 80 GLY C C 170.671 0.30 1 854 1560 80 GLY CA C 45.772 0.30 1 855 1560 80 GLY N N 107.198 0.30 1 856 1561 81 HIS H H 8.673 0.03 1 857 1561 81 HIS HA H 5.815 0.03 1 858 1561 81 HIS HB2 H 3.054 0.03 2 859 1561 81 HIS HB3 H 2.919 0.03 2 860 1561 81 HIS HD2 H 6.760 0.03 1 861 1561 81 HIS HE1 H 7.582 0.03 1 862 1561 81 HIS C C 174.721 0.30 1 863 1561 81 HIS CA C 55.716 0.30 1 864 1561 81 HIS CB C 35.584 0.30 1 865 1561 81 HIS CD2 C 118.231 0.30 1 866 1561 81 HIS CE1 C 137.770 0.30 1 867 1561 81 HIS N N 117.783 0.30 1 868 1562 82 ARG H H 9.183 0.03 1 869 1562 82 ARG HA H 4.690 0.03 1 870 1562 82 ARG HB2 H 1.425 0.03 2 871 1562 82 ARG HB3 H 1.622 0.03 2 872 1562 82 ARG HG2 H 1.130 0.03 2 873 1562 82 ARG HG3 H 0.993 0.03 2 874 1562 82 ARG HD2 H 2.331 0.03 2 875 1562 82 ARG HD3 H 1.924 0.03 2 876 1562 82 ARG HE H 6.753 0.03 1 877 1562 82 ARG C C 173.249 0.30 1 878 1562 82 ARG CA C 55.835 0.30 1 879 1562 82 ARG CB C 34.009 0.30 1 880 1562 82 ARG CG C 26.553 0.30 1 881 1562 82 ARG CD C 42.898 0.30 1 882 1562 82 ARG N N 120.935 0.30 1 883 1563 83 LYS H H 8.800 0.03 1 884 1563 83 LYS HA H 5.329 0.03 1 885 1563 83 LYS HB2 H 1.680 0.03 2 886 1563 83 LYS HB3 H 1.680 0.03 2 887 1563 83 LYS HG2 H 1.358 0.03 2 888 1563 83 LYS HG3 H 1.193 0.03 2 889 1563 83 LYS HD2 H 1.603 0.03 2 890 1563 83 LYS HD3 H 1.603 0.03 2 891 1563 83 LYS HE2 H 2.849 0.03 2 892 1563 83 LYS HE3 H 2.849 0.03 2 893 1563 83 LYS C C 176.138 0.30 1 894 1563 83 LYS CA C 54.913 0.30 1 895 1563 83 LYS CB C 34.524 0.30 1 896 1563 83 LYS CG C 25.355 0.30 1 897 1563 83 LYS CD C 29.500 0.30 1 898 1563 83 LYS CE C 41.977 0.30 1 899 1563 83 LYS N N 124.284 0.30 1 900 1564 84 GLU H H 8.805 0.03 1 901 1564 84 GLU HA H 4.557 0.03 1 902 1564 84 GLU HB2 H 1.798 0.03 2 903 1564 84 GLU HB3 H 1.993 0.03 2 904 1564 84 GLU HG2 H 2.089 0.03 2 905 1564 84 GLU HG3 H 2.089 0.03 2 906 1564 84 GLU CA C 55.610 0.30 1 907 1564 84 GLU CB C 32.380 0.30 1 908 1564 84 GLU CG C 35.906 0.30 1 909 1564 84 GLU N N 124.128 0.30 1 910 1565 85 SER H H 7.935 0.03 1 911 1565 85 SER HA H 4.069 0.03 1 912 1565 85 SER HB2 H 3.965 0.03 2 913 1565 85 SER HB3 H 4.157 0.03 2 914 1565 85 SER CA C 59.023 0.30 1 915 1565 85 SER CB C 62.046 0.30 1 916 1565 85 SER N N 114.828 0.30 1 917 1566 86 GLY HA2 H 3.690 0.03 2 918 1566 86 GLY HA3 H 4.192 0.03 2 919 1566 86 GLY C C 173.574 0.30 1 920 1566 86 GLY CA C 45.230 0.30 1 921 1567 87 GLU H H 7.938 0.03 1 922 1567 87 GLU HA H 4.616 0.03 1 923 1567 87 GLU HB2 H 2.027 0.03 2 924 1567 87 GLU HB3 H 2.027 0.03 2 925 1567 87 GLU HG2 H 2.067 0.03 2 926 1567 87 GLU HG3 H 2.067 0.03 2 927 1567 87 GLU C C 176.520 0.30 1 928 1567 87 GLU CA C 54.453 0.30 1 929 1567 87 GLU CB C 32.347 0.30 1 930 1567 87 GLU CG C 36.073 0.30 1 931 1567 87 GLU N N 121.835 0.30 1 932 1568 88 LEU H H 8.475 0.03 1 933 1568 88 LEU HA H 4.889 0.03 1 934 1568 88 LEU HB2 H 1.540 0.03 2 935 1568 88 LEU HB3 H 1.343 0.03 2 936 1568 88 LEU HG H 1.154 0.03 1 937 1568 88 LEU HD1 H 0.693 0.03 2 938 1568 88 LEU HD2 H 0.544 0.03 2 939 1568 88 LEU C C 174.325 0.30 1 940 1568 88 LEU CA C 54.620 0.30 1 941 1568 88 LEU CB C 44.259 0.30 1 942 1568 88 LEU CG C 27.027 0.30 1 943 1568 88 LEU CD1 C 24.255 0.30 1 944 1568 88 LEU CD2 C 27.038 0.30 1 945 1568 88 LEU N N 126.407 0.30 1 946 1569 89 TYR H H 9.328 0.03 1 947 1569 89 TYR HA H 5.322 0.03 1 948 1569 89 TYR HB2 H 2.999 0.03 2 949 1569 89 TYR HB3 H 2.719 0.03 2 950 1569 89 TYR HD1 H 7.219 0.03 3 951 1569 89 TYR HD2 H 7.219 0.03 3 952 1569 89 TYR HE1 H 6.897 0.03 3 953 1569 89 TYR HE2 H 6.897 0.03 3 954 1569 89 TYR C C 175.189 0.30 1 955 1569 89 TYR CA C 56.177 0.30 1 956 1569 89 TYR CB C 42.667 0.30 1 957 1569 89 TYR CD1 C 133.994 0.30 3 958 1569 89 TYR CD2 C 133.994 0.30 3 959 1569 89 TYR CE1 C 118.080 0.30 3 960 1569 89 TYR CE2 C 118.080 0.30 3 961 1569 89 TYR N N 123.583 0.30 1 962 1570 90 TYR H H 9.928 0.03 1 963 1570 90 TYR HA H 5.245 0.03 1 964 1570 90 TYR HB2 H 2.933 0.03 2 965 1570 90 TYR HB3 H 2.903 0.03 2 966 1570 90 TYR HD1 H 7.148 0.03 3 967 1570 90 TYR HD2 H 7.148 0.03 3 968 1570 90 TYR HE1 H 7.114 0.03 3 969 1570 90 TYR HE2 H 7.114 0.03 3 970 1570 90 TYR HH H 9.167 0.03 1 971 1570 90 TYR C C 175.500 0.30 1 972 1570 90 TYR CA C 57.703 0.30 1 973 1570 90 TYR CB C 43.087 0.30 1 974 1570 90 TYR CD1 C 133.246 0.30 3 975 1570 90 TYR CD2 C 133.246 0.30 3 976 1570 90 TYR CE1 C 117.677 0.30 3 977 1570 90 TYR CE2 C 117.677 0.30 3 978 1570 90 TYR N N 118.359 0.30 1 979 1571 91 SER H H 8.338 0.03 1 980 1571 91 SER HA H 4.123 0.03 1 981 1571 91 SER HB2 H 2.709 0.03 2 982 1571 91 SER HB3 H 1.515 0.03 2 983 1571 91 SER C C 174.155 0.30 1 984 1571 91 SER CA C 55.796 0.30 1 985 1571 91 SER CB C 60.800 0.30 1 986 1571 91 SER N N 120.246 0.30 1 987 1572 92 ILE H H 9.022 0.03 1 988 1572 92 ILE HA H 4.686 0.03 1 989 1572 92 ILE HB H 2.044 0.03 1 990 1572 92 ILE HG12 H 1.210 0.03 1 991 1572 92 ILE HG13 H 1.060 0.03 1 992 1572 92 ILE HG2 H 0.430 0.03 1 993 1572 92 ILE HD1 H 0.452 0.03 1 994 1572 92 ILE C C 175.175 0.30 1 995 1572 92 ILE CA C 57.846 0.30 1 996 1572 92 ILE CB C 37.921 0.30 1 997 1572 92 ILE CG1 C 27.731 0.30 1 998 1572 92 ILE CG2 C 16.728 0.30 1 999 1572 92 ILE CD1 C 13.469 0.30 1 1000 1572 92 ILE N N 129.513 0.30 1 1001 1573 93 GLU H H 9.424 0.03 1 1002 1573 93 GLU HA H 5.090 0.03 1 1003 1573 93 GLU HB2 H 1.993 0.03 2 1004 1573 93 GLU HB3 H 1.633 0.03 2 1005 1573 93 GLU HG2 H 1.958 0.03 2 1006 1573 93 GLU HG3 H 1.908 0.03 2 1007 1573 93 GLU C C 175.330 0.30 1 1008 1573 93 GLU CA C 54.709 0.30 1 1009 1573 93 GLU CB C 33.748 0.30 1 1010 1573 93 GLU CG C 37.361 0.30 1 1011 1573 93 GLU N N 129.953 0.30 1 1012 1574 94 LYS H H 8.912 0.03 1 1013 1574 94 LYS HA H 4.636 0.03 1 1014 1574 94 LYS HB2 H 1.970 0.03 2 1015 1574 94 LYS HB3 H 1.884 0.03 2 1016 1574 94 LYS HG2 H 1.390 0.03 2 1017 1574 94 LYS HG3 H 1.530 0.03 2 1018 1574 94 LYS HD2 H 1.764 0.03 2 1019 1574 94 LYS HD3 H 1.676 0.03 2 1020 1574 94 LYS HE2 H 2.897 0.03 2 1021 1574 94 LYS HE3 H 2.897 0.03 2 1022 1574 94 LYS C C 175.420 0.30 1 1023 1574 94 LYS CA C 56.308 0.30 1 1024 1574 94 LYS CB C 35.203 0.30 1 1025 1574 94 LYS CG C 24.752 0.30 1 1026 1574 94 LYS CD C 29.651 0.30 1 1027 1574 94 LYS CE C 42.313 0.30 1 1028 1574 94 LYS N N 128.419 0.30 1 1029 1575 95 GLU HA H 3.928 0.03 1 1030 1575 95 GLU HB2 H 2.296 0.03 2 1031 1575 95 GLU HB3 H 2.040 0.03 2 1032 1575 95 GLU HG2 H 2.296 0.03 2 1033 1575 95 GLU HG3 H 2.296 0.03 2 1034 1575 95 GLU C C 176.676 0.30 1 1035 1575 95 GLU CA C 57.259 0.30 1 1036 1575 95 GLU CB C 27.644 0.30 1 1037 1575 95 GLU CG C 36.921 0.30 1 1038 1576 96 GLY H H 8.764 0.03 1 1039 1576 96 GLY HA2 H 4.131 0.03 2 1040 1576 96 GLY HA3 H 3.626 0.03 2 1041 1576 96 GLY C C 173.674 0.30 1 1042 1576 96 GLY CA C 45.740 0.30 1 1043 1576 96 GLY N N 103.748 0.30 1 1044 1577 97 GLN H H 7.837 0.03 1 1045 1577 97 GLN HA H 4.737 0.03 1 1046 1577 97 GLN HB2 H 2.170 0.03 2 1047 1577 97 GLN HB3 H 2.023 0.03 2 1048 1577 97 GLN HG2 H 2.318 0.03 2 1049 1577 97 GLN HG3 H 2.410 0.03 2 1050 1577 97 GLN HE21 H 7.631 0.03 2 1051 1577 97 GLN HE22 H 6.933 0.03 2 1052 1577 97 GLN C C 174.707 0.30 1 1053 1577 97 GLN CA C 54.128 0.30 1 1054 1577 97 GLN CB C 31.651 0.30 1 1055 1577 97 GLN CG C 33.771 0.30 1 1056 1577 97 GLN N N 119.425 0.30 1 1057 1577 97 GLN NE2 N 112.620 0.30 1 1058 1578 98 ARG H H 8.793 0.03 1 1059 1578 98 ARG HA H 5.230 0.03 1 1060 1578 98 ARG HB2 H 1.289 0.03 2 1061 1578 98 ARG HB3 H 1.397 0.03 2 1062 1578 98 ARG HG2 H 1.047 0.03 2 1063 1578 98 ARG HG3 H 1.047 0.03 2 1064 1578 98 ARG HD2 H 2.792 0.03 2 1065 1578 98 ARG HD3 H 2.792 0.03 2 1066 1578 98 ARG C C 175.288 0.30 1 1067 1578 98 ARG CA C 55.064 0.30 1 1068 1578 98 ARG CB C 32.014 0.30 1 1069 1578 98 ARG CG C 27.713 0.30 1 1070 1578 98 ARG CD C 43.464 0.30 1 1071 1578 98 ARG N N 122.086 0.30 1 1072 1579 99 LYS H H 8.030 0.03 1 1073 1579 99 LYS HA H 4.415 0.03 1 1074 1579 99 LYS HB2 H 1.696 0.03 2 1075 1579 99 LYS HB3 H 1.696 0.03 2 1076 1579 99 LYS HG2 H 1.368 0.03 2 1077 1579 99 LYS HG3 H 1.248 0.03 2 1078 1579 99 LYS HD2 H 1.605 0.03 2 1079 1579 99 LYS HD3 H 1.605 0.03 2 1080 1579 99 LYS HE2 H 2.895 0.03 2 1081 1579 99 LYS HE3 H 2.895 0.03 2 1082 1579 99 LYS C C 174.750 0.30 1 1083 1579 99 LYS CA C 55.019 0.30 1 1084 1579 99 LYS CB C 37.242 0.30 1 1085 1579 99 LYS CG C 25.450 0.30 1 1086 1579 99 LYS CD C 29.409 0.30 1 1087 1579 99 LYS CE C 42.192 0.30 1 1088 1579 99 LYS N N 122.566 0.30 1 1089 1580 100 TRP H H 8.519 0.03 1 1090 1580 100 TRP HA H 5.607 0.03 1 1091 1580 100 TRP HB2 H 3.098 0.03 2 1092 1580 100 TRP HB3 H 2.930 0.03 2 1093 1580 100 TRP HD1 H 7.306 0.03 1 1094 1580 100 TRP HE3 H 7.301 0.03 1 1095 1580 100 TRP HZ2 H 7.489 0.03 1 1096 1580 100 TRP HZ3 H 6.729 0.03 1 1097 1580 100 TRP HH2 H 7.032 0.03 1 1098 1580 100 TRP C C 177.100 0.30 1 1099 1580 100 TRP CA C 56.370 0.30 1 1100 1580 100 TRP CB C 30.924 0.30 1 1101 1580 100 TRP CD1 C 128.439 0.30 1 1102 1580 100 TRP CE3 C 120.372 0.30 1 1103 1580 100 TRP CZ2 C 115.342 0.30 1 1104 1580 100 TRP CZ3 C 123.617 0.30 1 1105 1580 100 TRP CH2 C 123.538 0.30 1 1106 1580 100 TRP N N 120.963 0.30 1 1107 1581 101 TYR H H 10.029 0.03 1 1108 1581 101 TYR HA H 4.999 0.03 1 1109 1581 101 TYR HB2 H 2.718 0.03 2 1110 1581 101 TYR HB3 H 3.110 0.03 2 1111 1581 101 TYR HD1 H 7.221 0.03 3 1112 1581 101 TYR HD2 H 7.221 0.03 3 1113 1581 101 TYR HE1 H 6.638 0.03 3 1114 1581 101 TYR HE2 H 6.638 0.03 3 1115 1581 101 TYR HH H 8.540 0.03 1 1116 1581 101 TYR C C 175.642 0.30 1 1117 1581 101 TYR CA C 57.321 0.30 1 1118 1581 101 TYR CB C 42.876 0.30 1 1119 1581 101 TYR CD1 C 133.848 0.30 3 1120 1581 101 TYR CD2 C 133.848 0.30 3 1121 1581 101 TYR CE1 C 117.825 0.30 3 1122 1581 101 TYR CE2 C 117.825 0.30 3 1123 1581 101 TYR N N 122.435 0.30 1 1124 1582 102 LYS H H 9.173 0.03 1 1125 1582 102 LYS HA H 4.036 0.03 1 1126 1582 102 LYS HB2 H 1.986 0.03 2 1127 1582 102 LYS HB3 H 1.837 0.03 2 1128 1582 102 LYS HG2 H 1.459 0.03 2 1129 1582 102 LYS HG3 H 1.523 0.03 2 1130 1582 102 LYS HD2 H 1.773 0.03 2 1131 1582 102 LYS HD3 H 1.773 0.03 2 1132 1582 102 LYS HE2 H 3.091 0.03 2 1133 1582 102 LYS HE3 H 3.091 0.03 2 1134 1582 102 LYS C C 177.185 0.30 1 1135 1582 102 LYS CA C 57.179 0.30 1 1136 1582 102 LYS CB C 33.606 0.30 1 1137 1582 102 LYS CG C 26.156 0.30 1 1138 1582 102 LYS CD C 29.953 0.30 1 1139 1582 102 LYS CE C 42.216 0.30 1 1140 1582 102 LYS N N 122.565 0.30 1 1141 1583 103 ARG H H 7.908 0.03 1 1142 1583 103 ARG HA H 4.057 0.03 1 1143 1583 103 ARG HB2 H 2.253 0.03 2 1144 1583 103 ARG HB3 H 1.974 0.03 2 1145 1583 103 ARG HG2 H 2.007 0.03 2 1146 1583 103 ARG HG3 H 1.756 0.03 2 1147 1583 103 ARG HD2 H 3.303 0.03 2 1148 1583 103 ARG HD3 H 3.303 0.03 2 1149 1583 103 ARG C C 179.225 0.30 1 1150 1583 103 ARG CA C 61.241 0.30 1 1151 1583 103 ARG CB C 31.732 0.30 1 1152 1583 103 ARG CG C 27.348 0.30 1 1153 1583 103 ARG CD C 45.112 0.30 1 1154 1583 103 ARG N N 120.845 0.30 1 1155 1584 104 MET H H 8.971 0.03 1 1156 1584 104 MET HA H 4.604 0.03 1 1157 1584 104 MET HB2 H 2.285 0.03 2 1158 1584 104 MET HB3 H 2.419 0.03 2 1159 1584 104 MET HG2 H 2.721 0.03 2 1160 1584 104 MET HG3 H 2.611 0.03 2 1161 1584 104 MET HE H 2.150 0.03 1 1162 1584 104 MET C C 175.529 0.30 1 1163 1584 104 MET CA C 57.930 0.30 1 1164 1584 104 MET CB C 32.811 0.30 1 1165 1584 104 MET CG C 31.550 0.30 1 1166 1584 104 MET CE C 16.682 0.30 1 1167 1584 104 MET N N 113.930 0.30 1 1168 1585 105 ALA H H 8.221 0.03 1 1169 1585 105 ALA HA H 4.618 0.03 1 1170 1585 105 ALA HB H 1.982 0.03 1 1171 1585 105 ALA C C 174.438 0.30 1 1172 1585 105 ALA CA C 51.896 0.30 1 1173 1585 105 ALA CB C 20.018 0.30 1 1174 1585 105 ALA N N 122.130 0.30 1 1175 1586 106 VAL H H 7.491 0.03 1 1176 1586 106 VAL HA H 4.417 0.03 1 1177 1586 106 VAL HB H 1.986 0.03 1 1178 1586 106 VAL HG1 H 0.727 0.03 2 1179 1586 106 VAL HG2 H 0.247 0.03 2 1180 1586 106 VAL C C 174.849 0.30 1 1181 1586 106 VAL CA C 62.730 0.30 1 1182 1586 106 VAL CB C 32.060 0.30 1 1183 1586 106 VAL CG1 C 22.556 0.30 1 1184 1586 106 VAL CG2 C 21.170 0.30 1 1185 1586 106 VAL N N 118.968 0.30 1 1186 1587 107 ILE H H 9.046 0.03 1 1187 1587 107 ILE HA H 4.866 0.03 1 1188 1587 107 ILE HB H 1.741 0.03 1 1189 1587 107 ILE HG12 H 0.847 0.03 1 1190 1587 107 ILE HG13 H 0.690 0.03 1 1191 1587 107 ILE HG2 H 0.666 0.03 1 1192 1587 107 ILE HD1 H 0.064 0.03 1 1193 1587 107 ILE C C 176.392 0.30 1 1194 1587 107 ILE CA C 58.590 0.30 1 1195 1587 107 ILE CB C 41.760 0.30 1 1196 1587 107 ILE CG1 C 25.166 0.30 1 1197 1587 107 ILE CG2 C 18.384 0.30 1 1198 1587 107 ILE CD1 C 14.697 0.30 1 1199 1587 107 ILE N N 124.539 0.30 1 1200 1588 108 LEU H H 8.294 0.03 1 1201 1588 108 LEU HA H 5.385 0.03 1 1202 1588 108 LEU HB2 H 1.523 0.03 2 1203 1588 108 LEU HB3 H 1.338 0.03 2 1204 1588 108 LEU HG H 1.458 0.03 1 1205 1588 108 LEU HD1 H 0.711 0.03 2 1206 1588 108 LEU HD2 H 0.494 0.03 2 1207 1588 108 LEU C C 176.591 0.30 1 1208 1588 108 LEU CA C 52.972 0.30 1 1209 1588 108 LEU CB C 44.258 0.30 1 1210 1588 108 LEU CG C 27.206 0.30 1 1211 1588 108 LEU CD1 C 26.221 0.30 1 1212 1588 108 LEU CD2 C 27.206 0.30 1 1213 1588 108 LEU N N 116.575 0.30 1 1214 1589 109 SER H H 8.960 0.03 1 1215 1589 109 SER HA H 3.714 0.03 1 1216 1589 109 SER HB2 H 4.055 0.03 2 1217 1589 109 SER HB3 H 4.055 0.03 2 1218 1589 109 SER C C 175.302 0.30 1 1219 1589 109 SER CA C 57.080 0.30 1 1220 1589 109 SER CB C 64.800 0.30 1 1221 1589 109 SER N N 118.805 0.30 1 1222 1590 110 LEU H H 8.087 0.03 1 1223 1590 110 LEU HA H 4.249 0.03 1 1224 1590 110 LEU HB2 H 1.755 0.03 2 1225 1590 110 LEU HB3 H 1.755 0.03 2 1226 1590 110 LEU HG H 1.623 0.03 1 1227 1590 110 LEU HD1 H 1.023 0.03 2 1228 1590 110 LEU HD2 H 0.919 0.03 2 1229 1590 110 LEU C C 179.026 0.30 1 1230 1590 110 LEU CA C 59.336 0.30 1 1231 1590 110 LEU CB C 41.648 0.30 1 1232 1590 110 LEU CG C 26.783 0.30 1 1233 1590 110 LEU CD1 C 24.250 0.30 1 1234 1590 110 LEU CD2 C 25.450 0.30 1 1235 1590 110 LEU N N 122.463 0.30 1 1236 1591 111 GLU H H 8.412 0.03 1 1237 1591 111 GLU HA H 4.025 0.03 1 1238 1591 111 GLU HB2 H 1.890 0.03 2 1239 1591 111 GLU HB3 H 1.997 0.03 2 1240 1591 111 GLU HG2 H 2.407 0.03 2 1241 1591 111 GLU HG3 H 2.407 0.03 2 1242 1591 111 GLU C C 179.692 0.30 1 1243 1591 111 GLU CA C 59.604 0.30 1 1244 1591 111 GLU CB C 29.562 0.30 1 1245 1591 111 GLU CG C 36.660 0.30 1 1246 1591 111 GLU N N 116.314 0.30 1 1247 1592 112 GLN H H 7.570 0.03 1 1248 1592 112 GLN HA H 3.976 0.03 1 1249 1592 112 GLN HB2 H 1.890 0.03 2 1250 1592 112 GLN HB3 H 1.724 0.03 2 1251 1592 112 GLN HG2 H 2.402 0.03 2 1252 1592 112 GLN HG3 H 2.316 0.03 2 1253 1592 112 GLN HE21 H 5.520 0.03 2 1254 1592 112 GLN HE22 H 8.427 0.03 2 1255 1592 112 GLN C C 179.890 0.30 1 1256 1592 112 GLN CA C 58.145 0.30 1 1257 1592 112 GLN CB C 27.991 0.30 1 1258 1592 112 GLN CG C 34.102 0.30 1 1259 1592 112 GLN N N 118.393 0.30 1 1260 1592 112 GLN NE2 N 109.379 0.30 1 1261 1593 113 GLY H H 9.155 0.03 1 1262 1593 113 GLY HA2 H 2.800 0.03 2 1263 1593 113 GLY HA3 H 3.258 0.03 2 1264 1593 113 GLY C C 176.279 0.30 1 1265 1593 113 GLY CA C 46.408 0.30 1 1266 1593 113 GLY N N 107.130 0.30 1 1267 1594 114 ASN H H 8.576 0.03 1 1268 1594 114 ASN HA H 4.537 0.03 1 1269 1594 114 ASN HB2 H 3.031 0.03 2 1270 1594 114 ASN HB3 H 2.887 0.03 2 1271 1594 114 ASN HD21 H 6.786 0.03 2 1272 1594 114 ASN HD22 H 7.712 0.03 2 1273 1594 114 ASN C C 178.757 0.30 1 1274 1594 114 ASN CA C 55.504 0.30 1 1275 1594 114 ASN CB C 37.509 0.30 1 1276 1594 114 ASN N N 120.667 0.30 1 1277 1594 114 ASN ND2 N 110.497 0.30 1 1278 1595 115 ARG H H 7.234 0.03 1 1279 1595 115 ARG HA H 4.245 0.03 1 1280 1595 115 ARG HB2 H 2.011 0.03 2 1281 1595 115 ARG HB3 H 2.011 0.03 2 1282 1595 115 ARG HG2 H 1.983 0.03 2 1283 1595 115 ARG HG3 H 1.778 0.03 2 1284 1595 115 ARG HD2 H 3.299 0.03 2 1285 1595 115 ARG HD3 H 3.299 0.03 2 1286 1595 115 ARG C C 177.129 0.30 1 1287 1595 115 ARG CA C 58.681 0.30 1 1288 1595 115 ARG CB C 30.083 0.30 1 1289 1595 115 ARG CG C 27.482 0.30 1 1290 1595 115 ARG CD C 43.760 0.30 1 1291 1595 115 ARG N N 117.156 0.30 1 1292 1596 116 LEU H H 7.319 0.03 1 1293 1596 116 LEU HA H 4.712 0.03 1 1294 1596 116 LEU HB2 H 1.752 0.03 2 1295 1596 116 LEU HB3 H 1.752 0.03 2 1296 1596 116 LEU HG H 1.780 0.03 1 1297 1596 116 LEU HD1 H 0.883 0.03 2 1298 1596 116 LEU HD2 H 0.779 0.03 2 1299 1596 116 LEU C C 177.398 0.30 1 1300 1596 116 LEU CA C 54.963 0.30 1 1301 1596 116 LEU CB C 43.758 0.30 1 1302 1596 116 LEU CG C 27.398 0.30 1 1303 1596 116 LEU CD1 C 23.105 0.30 1 1304 1596 116 LEU CD2 C 26.203 0.30 1 1305 1596 116 LEU N N 117.323 0.30 1 1306 1597 117 ARG H H 7.317 0.03 1 1307 1597 117 ARG HA H 3.619 0.03 1 1308 1597 117 ARG HB2 H 1.984 0.03 2 1309 1597 117 ARG HB3 H 1.984 0.03 2 1310 1597 117 ARG HG2 H 1.729 0.03 2 1311 1597 117 ARG HG3 H 1.729 0.03 2 1312 1597 117 ARG HD2 H 3.365 0.03 2 1313 1597 117 ARG HD3 H 3.365 0.03 2 1314 1597 117 ARG C C 178.488 0.30 1 1315 1597 117 ARG CA C 60.335 0.30 1 1316 1597 117 ARG CB C 30.649 0.30 1 1317 1597 117 ARG CG C 27.772 0.30 1 1318 1597 117 ARG CD C 43.665 0.30 1 1319 1597 117 ARG N N 120.832 0.30 1 1320 1598 118 GLU H H 8.817 0.03 1 1321 1598 118 GLU HA H 3.984 0.03 1 1322 1598 118 GLU HB2 H 2.084 0.03 2 1323 1598 118 GLU HB3 H 2.084 0.03 2 1324 1598 118 GLU HG2 H 2.332 0.03 2 1325 1598 118 GLU HG3 H 2.225 0.03 2 1326 1598 118 GLU C C 177.908 0.30 1 1327 1598 118 GLU CA C 59.916 0.30 1 1328 1598 118 GLU CB C 29.105 0.30 1 1329 1598 118 GLU CG C 36.627 0.30 1 1330 1598 118 GLU N N 120.137 0.30 1 1331 1599 119 GLN H H 7.999 0.03 1 1332 1599 119 GLN HA H 4.111 0.03 1 1333 1599 119 GLN HB2 H 1.386 0.03 2 1334 1599 119 GLN HB3 H 1.753 0.03 2 1335 1599 119 GLN HG2 H 1.983 0.03 2 1336 1599 119 GLN HG3 H 1.623 0.03 2 1337 1599 119 GLN HE21 H 7.390 0.03 2 1338 1599 119 GLN HE22 H 6.748 0.03 2 1339 1599 119 GLN C C 177.469 0.30 1 1340 1599 119 GLN CA C 57.585 0.30 1 1341 1599 119 GLN CB C 30.136 0.30 1 1342 1599 119 GLN CG C 33.772 0.30 1 1343 1599 119 GLN N N 115.471 0.30 1 1344 1599 119 GLN NE2 N 111.300 0.30 1 1345 1600 120 TYR H H 8.144 0.03 1 1346 1600 120 TYR HA H 4.855 0.03 1 1347 1600 120 TYR HB2 H 2.600 0.03 2 1348 1600 120 TYR HB3 H 3.158 0.03 2 1349 1600 120 TYR HD1 H 7.275 0.03 3 1350 1600 120 TYR HD2 H 7.275 0.03 3 1351 1600 120 TYR HE1 H 6.843 0.03 3 1352 1600 120 TYR HE2 H 6.843 0.03 3 1353 1600 120 TYR C C 175.883 0.30 1 1354 1600 120 TYR CA C 58.232 0.30 1 1355 1600 120 TYR CB C 39.890 0.30 1 1356 1600 120 TYR CD1 C 133.797 0.30 3 1357 1600 120 TYR CD2 C 133.797 0.30 3 1358 1600 120 TYR CE1 C 118.000 0.30 3 1359 1600 120 TYR CE2 C 118.000 0.30 3 1360 1600 120 TYR N N 112.861 0.30 1 1361 1601 121 GLY H H 8.537 0.03 1 1362 1601 121 GLY HA2 H 4.632 0.03 2 1363 1601 121 GLY HA3 H 3.997 0.03 2 1364 1601 121 GLY C C 174.594 0.30 1 1365 1601 121 GLY CA C 45.987 0.30 1 1366 1601 121 GLY N N 110.371 0.30 1 1367 1602 122 LEU H H 8.195 0.03 1 1368 1602 122 LEU HA H 4.208 0.03 1 1369 1602 122 LEU HB2 H 1.764 0.03 2 1370 1602 122 LEU HB3 H 1.401 0.03 2 1371 1602 122 LEU HG H 1.203 0.03 1 1372 1602 122 LEU HD1 H 0.324 0.03 2 1373 1602 122 LEU HD2 H 0.191 0.03 2 1374 1602 122 LEU C C 176.661 0.30 1 1375 1602 122 LEU CA C 56.206 0.30 1 1376 1602 122 LEU CB C 42.053 0.30 1 1377 1602 122 LEU CG C 27.395 0.30 1 1378 1602 122 LEU CD1 C 24.185 0.30 1 1379 1602 122 LEU CD2 C 25.204 0.30 1 1380 1602 122 LEU N N 124.391 0.30 1 1381 1603 123 GLY H H 7.441 0.03 1 1382 1603 123 GLY HA2 H 3.816 0.03 2 1383 1603 123 GLY HA3 H 3.640 0.03 2 1384 1603 123 GLY C C 178.267 0.30 1 1385 1603 123 GLY CA C 46.170 0.30 1 1386 1603 123 GLY N N 114.036 0.30 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D (H)CCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D (HB)CB(CGCD)HD' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_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 1 363 1 ARG HA H 4.169 0.03 1 2 363 1 ARG HB2 H 1.684 0.03 2 3 363 1 ARG HB3 H 1.612 0.03 2 4 363 1 ARG HG2 H 1.477 0.03 2 5 363 1 ARG HG3 H 1.477 0.03 2 6 363 1 ARG HD2 H 3.045 0.03 2 7 363 1 ARG HD3 H 3.045 0.03 2 8 363 1 ARG CA C 53.285 0.30 1 9 363 1 ARG CB C 27.985 0.30 1 10 363 1 ARG CG C 24.300 0.30 1 11 363 1 ARG CD C 40.501 0.30 1 12 364 2 ALA HA H 4.155 0.03 1 13 364 2 ALA HB H 1.216 0.03 1 14 364 2 ALA CA C 49.679 0.30 1 15 364 2 ALA CB C 16.437 0.30 1 16 365 3 HIS HA H 4.475 0.03 1 17 365 3 HIS HB2 H 2.945 0.03 2 18 365 3 HIS HB3 H 2.945 0.03 2 19 365 3 HIS HD2 H 7.051 0.03 1 20 365 3 HIS HE1 H 7.810 0.03 1 21 365 3 HIS CA C 53.960 0.30 1 22 365 3 HIS CB C 28.420 0.30 1 23 365 3 HIS CD2 C 119.965 0.30 1 24 365 3 HIS CE1 C 138.690 0.30 1 25 366 4 SER HA H 4.322 0.03 1 26 366 4 SER HB2 H 3.739 0.03 2 27 366 4 SER HB3 H 3.739 0.03 2 28 366 4 SER CA C 55.729 0.30 1 29 366 4 SER CB C 61.007 0.30 1 30 367 5 SER HA H 4.322 0.03 1 31 367 5 SER HB2 H 3.739 0.03 2 32 367 5 SER HB3 H 3.739 0.03 2 33 367 5 SER CA C 55.686 0.30 1 34 367 5 SER CB C 61.010 0.30 1 35 368 6 HIS HA H 4.511 0.03 1 36 368 6 HIS HB2 H 2.951 0.03 2 37 368 6 HIS HB3 H 2.951 0.03 2 38 368 6 HIS HD2 H 6.935 0.03 1 39 368 6 HIS HE1 H 7.692 0.03 1 40 368 6 HIS CA C 53.846 0.30 1 41 368 6 HIS CB C 28.438 0.30 1 42 368 6 HIS CD2 C 119.456 0.30 1 43 368 6 HIS CE1 C 138.690 0.30 1 44 369 7 LEU HA H 4.194 0.03 1 45 369 7 LEU HB2 H 1.506 0.03 2 46 369 7 LEU HB3 H 1.428 0.03 2 47 369 7 LEU HG H 1.271 0.03 1 48 369 7 LEU HD1 H 0.769 0.03 1 49 369 7 LEU HD2 H 0.698 0.03 1 50 369 7 LEU CA C 52.550 0.30 1 51 369 7 LEU CB C 39.506 0.30 1 52 369 7 LEU CG C 23.952 0.30 1 53 369 7 LEU CD1 C 22.151 0.30 1 54 369 7 LEU CD2 C 20.416 0.30 1 55 370 8 MLY CA C 52.972 0.30 1 56 370 8 MLY CB C 32.301 0.30 1 57 370 8 MLY C C 45.287 0.30 1 58 370 8 MLY HA H 4.384 0.03 1 59 370 8 MLY HB2 H 2.864 0.03 2 60 370 8 MLY HB3 H 2.717 0.03 2 61 370 8 MLY H H 2.807 0.03 1 62 371 9 SER HA H 4.307 0.03 1 63 371 9 SER HB2 H 3.684 0.03 2 64 371 9 SER HB3 H 3.738 0.03 2 65 371 9 SER CA C 56.254 0.30 1 66 371 9 SER CB C 60.982 0.30 1 67 372 10 LYS HA H 4.231 0.03 1 68 372 10 LYS HB2 H 1.723 0.03 2 69 372 10 LYS HB3 H 1.630 0.03 2 70 372 10 LYS HG2 H 1.316 0.03 2 71 372 10 LYS HG3 H 1.316 0.03 2 72 372 10 LYS HD2 H 1.541 0.03 2 73 372 10 LYS HD3 H 1.541 0.03 2 74 372 10 LYS HE2 H 2.849 0.03 2 75 372 10 LYS HE3 H 2.849 0.03 2 76 372 10 LYS CA C 53.621 0.30 1 77 372 10 LYS CB C 30.174 0.30 1 78 372 10 LYS CG C 21.968 0.30 1 79 372 10 LYS CD C 26.319 0.30 1 80 372 10 LYS CE C 39.276 0.30 1 81 373 11 LYS HA H 4.165 0.03 1 82 373 11 LYS HB2 H 1.723 0.03 2 83 373 11 LYS HB3 H 1.629 0.03 2 84 373 11 LYS HG2 H 1.316 0.03 2 85 373 11 LYS HG3 H 1.316 0.03 2 86 373 11 LYS HD2 H 1.541 0.03 2 87 373 11 LYS HD3 H 1.541 0.03 2 88 373 11 LYS HE2 H 2.849 0.03 2 89 373 11 LYS HE3 H 2.849 0.03 2 90 373 11 LYS CA C 53.975 0.30 1 91 373 11 LYS CB C 30.180 0.30 1 92 373 11 LYS CG C 21.968 0.30 1 93 373 11 LYS CD C 26.319 0.30 1 94 373 11 LYS CE C 39.276 0.30 1 95 374 12 GLY HA2 H 3.806 0.03 2 96 374 12 GLY HA3 H 3.806 0.03 2 97 374 12 GLY CA C 42.495 0.30 1 98 375 13 GLN HA H 4.312 0.03 1 99 375 13 GLN HB2 H 2.037 0.03 2 100 375 13 GLN HB3 H 1.885 0.03 2 101 375 13 GLN HG2 H 2.238 0.03 2 102 375 13 GLN HG3 H 2.238 0.03 2 103 375 13 GLN HE21 H 6.738 0.03 2 104 375 13 GLN HE22 H 7.464 0.03 2 105 375 13 GLN CA C 52.912 0.30 1 106 375 13 GLN CB C 27.044 0.30 1 107 375 13 GLN CG C 31.069 0.30 1 108 375 13 GLN NE2 N 112.329 0.30 1 109 376 14 SER HA H 4.439 0.03 1 110 376 14 SER HB2 H 3.786 0.03 2 111 376 14 SER HB3 H 3.786 0.03 2 112 376 14 SER CA C 55.778 0.30 1 113 376 14 SER CB C 61.138 0.30 1 114 377 15 THR HA H 4.048 0.03 1 115 377 15 THR HB H 4.136 0.03 1 116 377 15 THR HG2 H 1.044 0.03 1 117 377 15 THR CA C 60.546 0.30 1 118 377 15 THR CB C 67.934 0.30 1 119 377 15 THR CG2 C 19.259 0.30 1 stop_ save_