data_15919 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of a complex formed by the C-terminal domain of human RAP74 and a phosphorylated peptide from the central domain of the FCP1 ; _BMRB_accession_number 15919 _BMRB_flat_file_name bmr15919.str _Entry_type original _Submission_date 2008-08-13 _Accession_date 2008-08-13 _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 Yang Ao . . 2 Abbott Karen L. . 3 Desjardins Alexandre . . 4 'Di Lello' Paola . . 5 Omichinski James G. . 6 Legault Pascale . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 503 "13C chemical shifts" 345 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-17 update BMRB 'correct residue number' 2010-06-02 update BMRB 'edit assembly name' 2009-05-05 update BMRB 'complete entry citation' 2009-02-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of a complex formed by the carboxyl-terminal domain of human RAP74 and a phosphorylated peptide from the central domain of the FCP1 Phosphatase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19215094 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Ao . . 2 Abbott Karen L. . 3 Desjardins Alexandre . . 4 'Di Lello' Paola . . 5 Omichinski James G. . 6 Legault Pascale . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 48 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1964 _Page_last 1974 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RAP74/FCP1 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label centFCP1-T584PO4 $centFCP1-T584PO4 cterRAP74 $cterRAP74 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_centFCP1-T584PO4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common centFCP1-T584PO4 _Molecular_mass 2398.493 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 19 _Mol_residue_sequence EDXDEDDHLIYLEEILVRV loop_ _Residue_seq_code _Residue_label 1 GLU 2 ASP 3 TPO 4 ASP 5 GLU 6 ASP 7 ASP 8 HIS 9 LEU 10 ILE 11 TYR 12 LEU 13 GLU 14 GLU 15 ILE 16 LEU 17 VAL 18 ARG 19 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-10 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 PDB 2K7L "Nmr Structure Of A Complex Formed By The C-Terminal Domain Of Human Rap74 And A Phosphorylated Peptide From The Central Domain " 100.00 19 100.00 100.00 3.77e-01 stop_ save_ save_cterRAP74 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cterRAP74 _Molecular_mass 7906.366 _Mol_thiol_state 'not present' _Details . _Residue_count 82 _Mol_residue_sequence ; STPQPPSGKTTPNSGDVQVT EDAVRRYLTRKPMTTKDLLK KFQTKKTGLSSEQTVNVLAQ ILKRLNPERKMINDKMHFSL KE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 436 SER 2 437 THR 3 438 PRO 4 439 GLN 5 440 PRO 6 441 PRO 7 442 SER 8 443 GLY 9 444 LYS 10 445 THR 11 446 THR 12 447 PRO 13 448 ASN 14 449 SER 15 450 GLY 16 451 ASP 17 452 VAL 18 453 GLN 19 454 VAL 20 455 THR 21 456 GLU 22 457 ASP 23 458 ALA 24 459 VAL 25 460 ARG 26 461 ARG 27 462 TYR 28 463 LEU 29 464 THR 30 465 ARG 31 466 LYS 32 467 PRO 33 468 MET 34 469 THR 35 470 THR 36 471 LYS 37 472 ASP 38 473 LEU 39 474 LEU 40 475 LYS 41 476 LYS 42 477 PHE 43 478 GLN 44 479 THR 45 480 LYS 46 481 LYS 47 482 THR 48 483 GLY 49 484 LEU 50 485 SER 51 486 SER 52 487 GLU 53 488 GLN 54 489 THR 55 490 VAL 56 491 ASN 57 492 VAL 58 493 LEU 59 494 ALA 60 495 GLN 61 496 ILE 62 497 LEU 63 498 LYS 64 499 ARG 65 500 LEU 66 501 ASN 67 502 PRO 68 503 GLU 69 504 ARG 70 505 LYS 71 506 MET 72 507 ILE 73 508 ASN 74 509 ASP 75 510 LYS 76 511 MET 77 512 HIS 78 513 PHE 79 514 SER 80 515 LEU 81 516 LYS 82 517 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 1I27 "Crystal Structure Of The C-Terminal Domain Of The Rap74 Subunit Of Human Transcription Factor Iif (Tfiif)" 85.37 73 98.57 98.57 9.27e-41 PDB 1J2X "Crystal Structure Of Rap74 C-Terminal Domain Complexed With Fcp1 C-Terminal Peptide" 85.37 73 98.57 98.57 9.27e-41 PDB 1NHA "Solution Structure Of The Carboxyl-Terminal Domain Of Rap74 And Nmr Characterization Of The Fcp-Binding Sites Of Rap74 And Ctd " 100.00 82 100.00 100.00 4.56e-51 PDB 1ONV "Nmr Structure Of A Complex Containing The Tfiif Subunit Rap74 And The Rnap Ii Ctd Phosphatase Fcp1" 100.00 82 100.00 100.00 4.56e-51 PDB 2K7L "Nmr Structure Of A Complex Formed By The C-Terminal Domain Of Human Rap74 And A Phosphorylated Peptide From The Central Domain " 81.71 67 100.00 100.00 2.18e-39 DBJ BAG11094 "transcription initiation factor IIF subunit alpha [synthetic construct]" 100.00 517 100.00 100.00 6.20e-48 DBJ BAG37667 "unnamed protein product [Homo sapiens]" 100.00 517 100.00 100.00 6.20e-48 DBJ BAG56676 "unnamed protein product [Homo sapiens]" 100.00 415 97.56 98.78 4.34e-47 DBJ BAG63544 "unnamed protein product [Homo sapiens]" 100.00 432 100.00 100.00 6.93e-49 DBJ BAK63776 "transcription initiation factor IIF alpha subunit [Pan troglodytes]" 100.00 517 98.78 100.00 4.03e-47 EMBL CAA45404 "RAP74 [Homo sapiens]" 100.00 517 100.00 100.00 5.89e-48 EMBL CAA45408 "RNA polymerase II associated protein RAP74 [Homo sapiens]" 100.00 517 100.00 100.00 5.83e-48 EMBL CAG33079 "GTF2F1 [Homo sapiens]" 100.00 517 98.78 100.00 2.39e-47 GB AAH00120 "General transcription factor IIF, polypeptide 1, 74kDa [Homo sapiens]" 100.00 517 100.00 100.00 6.20e-48 GB AAH13007 "General transcription factor IIF, polypeptide 1, 74kDa [Homo sapiens]" 100.00 517 100.00 100.00 6.20e-48 GB AAP35761 "general transcription factor IIF, polypeptide 1, 74kDa [Homo sapiens]" 100.00 517 100.00 100.00 6.20e-48 GB AAP36816 "Homo sapiens general transcription factor IIF, polypeptide 1, 74kDa [synthetic construct]" 100.00 518 100.00 100.00 5.97e-48 GB AAX32213 "general transcription factor IIF polypeptide 1 [synthetic construct]" 100.00 517 100.00 100.00 6.20e-48 PRF 1804352A "transcription factor TFIIF:SUBUNIT=large" 100.00 517 100.00 100.00 5.83e-48 PRF 1804353A "transcription factor RAP74" 100.00 517 100.00 100.00 5.89e-48 REF NP_001267379 "general transcription factor IIF subunit 1 [Pan troglodytes]" 100.00 517 98.78 100.00 4.03e-47 REF NP_002087 "general transcription factor IIF subunit 1 [Homo sapiens]" 100.00 517 100.00 100.00 6.20e-48 REF XP_003281617 "PREDICTED: general transcription factor IIF subunit 1 [Nomascus leucogenys]" 100.00 432 98.78 100.00 3.57e-48 REF XP_003461160 "PREDICTED: general transcription factor IIF subunit 1 [Cavia porcellus]" 100.00 522 97.56 100.00 7.83e-47 REF XP_003819382 "PREDICTED: LOW QUALITY PROTEIN: general transcription factor IIF subunit 1 [Pan paniscus]" 100.00 517 98.78 100.00 3.67e-47 SP P35269 "RecName: Full=General transcription factor IIF subunit 1; AltName: Full=General transcription factor IIF 74 kDa subunit; AltNam" 100.00 517 100.00 100.00 6.20e-48 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_TPO _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common PHOSPHOTHREONINE _BMRB_code . _PDB_code TPO _Standard_residue_derivative TPO _Molecular_mass 199.099 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:05:22 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N N 0 . ? CA CA C S 0 . ? CB CB C R 0 . ? CG2 CG2 C N 0 . ? OG1 OG1 O N 0 . ? P P P N 0 . ? O1P O1P O N 0 . ? O2P O2P O N 0 . ? O3P O3P O N 0 . ? C C C N 0 . ? O O O N 0 . ? OXT OXT O N 0 . ? H H H N 0 . ? H2 H2 H N 0 . ? HA HA H N 0 . ? HB HB H N 0 . ? HG21 HG21 H N 0 . ? HG22 HG22 H N 0 . ? HG23 HG23 H N 0 . ? HOP2 HOP2 H N 0 . ? HOP3 HOP3 H N 0 . ? HXT HXT H N 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 CG2 ? ? SING CB OG1 ? ? SING CB HB ? ? SING CG2 HG21 ? ? SING CG2 HG22 ? ? SING CG2 HG23 ? ? SING OG1 P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? 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 $centFCP1-T584PO4 Human 9606 Eukaryota Metazoa Homo sapiens $cterRAP74 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 $centFCP1-T584PO4 'chemical synthesis' . . . . . $cterRAP74 'recombinant technology' 'Escherichia coli' . . Topp2 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labeled _Saveframe_category sample _Sample_type solution _Details '10-40 mM sodium phosphate(pH 6.5), 0.25 mM EDTA' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cterRAP74 1 mM '[U-98% 15N]' $centFCP1-T584PO4 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' 'sodium phosphate' 10-40 mM 'natural abundance' EDTA 0.25 mM 'natural abundance' stop_ save_ save_13C_15N-labeled-H2O _Saveframe_category sample _Sample_type solution _Details '10-40 mM sodium phosphate(pH 6.5), 0.25 mM EDTA' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cterRAP74 1 mM '[U-98% 13C; U-98% 15N]' $centFCP1-T584PO4 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' 'sodium phosphate' 10-40 mM 'natural abundance' EDTA 0.25 mM 'natural abundance' stop_ save_ save_13C_15N-labeled-D2O _Saveframe_category sample _Sample_type solution _Details '10-40 mM sodium phosphate(pH 6.5), 0.25 mM EDTA' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cterRAP74 1 mM '[U-98% 13C; U-98% 15N]' $centFCP1-T584PO4 1 mM 'natural abundance' D2O 100 % '[U-100% 2H]' 'sodium phosphate' 10-40 mM 'natural abundance' EDTA 0.25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.5 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 5.2.2_01 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version 2.5 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N-labeled save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C_15N-labeled-H2O save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C_15N-labeled-D2O save_ save_3D_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N-labeled save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_15N-labeled-H2O save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N-labeled-H2O save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N-labeled-H2O save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_15N-labeled-D2O save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C_15N-labeled-D2O save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N-labeled save_ save_3D_CCCTOCSY-NHH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCCTOCSY-NHH' _Sample_label $13C_15N-labeled-H2O save_ save_3D_HCCTOCSY-NHH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCTOCSY-NHH' _Sample_label $13C_15N-labeled-H2O save_ save_3D_13C-edited_HMQC-NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited HMQC-NOESY' _Sample_label $13C_15N-labeled-D2O save_ save_HBCBCGCDHD_ARO_14 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD_ARO _Sample_label $13C_15N-labeled-D2O save_ save_HBCBCGCDCEHE_ARO_15 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCEHE_ARO _Sample_label $13C_15N-labeled-D2O save_ save_2D_isotope_filtered_1H-1H_TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D isotope filtered 1H-1H TOCSY' _Sample_label $13C_15N-labeled-D2O save_ save_2D_isotope_filtered_1H-1H_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D isotope filtered 1H-1H NOESY' _Sample_label $13C_15N-labeled-D2O save_ save_2D_isotope_filtered_1H-1H_TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D isotope filtered 1H-1H TOCSY' _Sample_label $13C_15N-labeled-H2O save_ save_2D_isotope_filtered_1H-1H_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D isotope filtered 1H-1H NOESY' _Sample_label $13C_15N-labeled-H2O save_ save_2D_13C_F1-filtered,_F2-edited_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C F1-filtered, F2-edited NOESY' _Sample_label $13C_15N-labeled-H2O save_ save_3D_15N/13C_F1-filtered,_F3-edited_NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C F1-filtered, F3-edited NOESY' _Sample_label $13C_15N-labeled-D2O save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 300 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 25 15 mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 . 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' '2D 1H-13C HSQC' '3D HNHA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '2D 13C F1-filtered, F2-edited NOESY' stop_ loop_ _Sample_label $15N-labeled $13C_15N-labeled-D2O $13C_15N-labeled-H2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name cterRAP74 _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 1 436 1 SER H H 8.279 0.02 1 2 436 1 SER HA H 4.483 0.02 1 3 436 1 SER HB2 H 3.842 0.02 2 4 436 1 SER HB3 H 3.842 0.02 2 5 436 1 SER C C 174.184 0.05 1 6 436 1 SER CA C 58.128 0.05 1 7 436 1 SER CB C 63.892 0.05 1 8 436 1 SER N N 117.058 0.05 1 9 437 2 THR H H 8.152 0.02 1 10 437 2 THR HA H 4.660 0.02 1 11 437 2 THR HB H 4.180 0.02 1 12 437 2 THR HG2 H 1.260 0.02 1 13 437 2 THR CA C 59.858 0.05 1 14 437 2 THR CB C 69.849 0.05 1 15 437 2 THR CG2 C 21.520 0.05 1 16 437 2 THR N N 118.415 0.05 1 17 438 3 PRO HA H 4.386 0.02 1 18 438 3 PRO HB2 H 1.870 0.02 2 19 438 3 PRO HB3 H 2.266 0.02 2 20 438 3 PRO HD2 H 3.679 0.02 2 21 438 3 PRO HD3 H 3.842 0.02 2 22 438 3 PRO HG2 H 1.976 0.02 2 23 438 3 PRO C C 176.533 0.05 1 24 438 3 PRO CA C 63.065 0.05 1 25 438 3 PRO CB C 32.236 0.05 1 26 438 3 PRO CD C 51.034 0.05 1 27 438 3 PRO CG C 27.349 0.05 1 28 439 4 GLN H H 8.455 0.02 1 29 439 4 GLN HA H 4.593 0.02 1 30 439 4 GLN HB2 H 1.940 0.02 2 31 439 4 GLN HB3 H 2.105 0.02 2 32 439 4 GLN HE21 H 7.541 0.02 2 33 439 4 GLN HE22 H 6.811 0.02 2 34 439 4 GLN HG2 H 2.350 0.02 2 35 439 4 GLN HG3 H 2.350 0.02 2 36 439 4 GLN CA C 53.517 0.05 1 37 439 4 GLN CB C 29.117 0.05 1 38 439 4 GLN CG C 33.940 0.05 1 39 439 4 GLN N N 122.187 0.05 1 40 439 4 GLN NE2 N 112.912 0.05 1 41 440 5 PRO HA H 4.749 0.02 1 42 440 5 PRO HB2 H 1.960 0.02 2 43 440 5 PRO HB3 H 2.402 0.02 2 44 440 5 PRO HD2 H 3.677 0.02 2 45 440 5 PRO HD3 H 3.850 0.02 2 46 440 5 PRO HG2 H 2.076 0.02 2 47 440 5 PRO HG3 H 2.076 0.02 2 48 440 5 PRO CA C 60.840 0.05 1 49 440 5 PRO CB C 30.846 0.05 1 50 441 6 PRO HA H 4.440 0.02 1 51 441 6 PRO HB2 H 1.940 0.02 2 52 441 6 PRO HB3 H 2.302 0.02 2 53 441 6 PRO HD2 H 3.643 0.02 2 54 441 6 PRO HD3 H 3.806 0.02 2 55 441 6 PRO HG2 H 2.030 0.02 2 56 441 6 PRO HG3 H 2.030 0.02 2 57 441 6 PRO C C 177.090 0.05 1 58 441 6 PRO CA C 63.065 0.05 1 59 441 6 PRO CB C 31.999 0.05 1 60 441 6 PRO CD C 50.470 0.05 1 61 441 6 PRO CG C 27.349 0.05 1 62 442 7 SER H H 8.398 0.02 1 63 442 7 SER HA H 4.422 0.02 1 64 442 7 SER HB2 H 3.878 0.02 2 65 442 7 SER HB3 H 3.878 0.02 2 66 442 7 SER C C 175.235 0.05 1 67 442 7 SER CA C 58.321 0.05 1 68 442 7 SER CB C 64.085 0.05 1 69 442 7 SER N N 115.996 0.05 1 70 443 8 GLY H H 8.407 0.02 1 71 443 8 GLY HA2 H 3.969 0.02 2 72 443 8 GLY HA3 H 3.969 0.02 2 73 443 8 GLY C C 173.968 0.05 1 74 443 8 GLY CA C 45.256 0.05 1 75 443 8 GLY N N 110.891 0.05 1 76 444 9 LYS H H 8.189 0.02 1 77 444 9 LYS HA H 4.404 0.02 1 78 444 9 LYS HB2 H 1.831 0.02 2 79 444 9 LYS HB3 H 1.831 0.02 2 80 444 9 LYS HD2 H 1.668 0.02 2 81 444 9 LYS HD3 H 1.668 0.02 2 82 444 9 LYS HE2 H 2.972 0.02 2 83 444 9 LYS HE3 H 2.972 0.02 2 84 444 9 LYS HG2 H 1.396 0.02 2 85 444 9 LYS HG3 H 1.396 0.02 2 86 444 9 LYS C C 176.811 0.05 1 87 444 9 LYS CA C 56.207 0.05 1 88 444 9 LYS CB C 33.344 0.05 1 89 444 9 LYS CD C 29.041 0.05 1 90 444 9 LYS CE C 42.199 0.05 1 91 444 9 LYS CG C 24.905 0.05 1 92 444 9 LYS N N 120.757 0.05 1 93 445 10 THR H H 8.236 0.02 1 94 445 10 THR HA H 4.386 0.02 1 95 445 10 THR HB H 4.186 0.02 1 96 445 10 THR HG2 H 1.160 0.02 1 97 445 10 THR C C 174.463 0.05 1 98 445 10 THR CA C 61.587 0.05 1 99 445 10 THR CB C 70.040 0.05 1 100 445 10 THR CG2 C 21.710 0.05 1 101 445 10 THR N N 115.640 0.05 1 102 446 11 THR H H 8.243 0.02 1 103 446 11 THR HA H 4.610 0.02 1 104 446 11 THR HB H 4.130 0.02 1 105 446 11 THR HG2 H 1.260 0.02 1 106 446 11 THR CA C 59.858 0.05 1 107 446 11 THR CB C 69.656 0.05 1 108 446 11 THR CG2 C 21.520 0.05 1 109 446 11 THR N N 118.913 0.05 1 110 447 12 PRO HA H 4.404 0.02 1 111 447 12 PRO HB2 H 1.903 0.02 2 112 447 12 PRO HB3 H 2.284 0.02 2 113 447 12 PRO HD2 H 3.715 0.02 2 114 447 12 PRO HD3 H 3.860 0.02 2 115 447 12 PRO HG2 H 2.012 0.02 2 116 447 12 PRO C C 176.657 0.05 1 117 447 12 PRO CA C 63.316 0.05 1 118 447 12 PRO CB C 32.191 0.05 1 119 447 12 PRO CD C 51.034 0.05 1 120 447 12 PRO CG C 27.537 0.05 1 121 448 13 ASN H H 8.570 0.02 1 122 448 13 ASN HA H 4.712 0.02 1 123 448 13 ASN HB2 H 2.768 0.02 2 124 448 13 ASN HB3 H 2.851 0.02 2 125 448 13 ASN HD21 H 7.660 0.02 2 126 448 13 ASN HD22 H 6.934 0.02 2 127 448 13 ASN C C 175.390 0.05 1 128 448 13 ASN CA C 53.325 0.05 1 129 448 13 ASN CB C 38.915 0.05 1 130 448 13 ASN N N 119.127 0.05 1 131 448 13 ASN ND2 N 113.375 0.05 1 132 449 14 SER H H 8.330 0.02 1 133 449 14 SER HA H 4.404 0.02 1 134 449 14 SER HB2 H 3.832 0.02 2 135 449 14 SER HB3 H 3.878 0.02 2 136 449 14 SER C C 175.050 0.05 1 137 449 14 SER CA C 58.705 0.05 1 138 449 14 SER CB C 63.700 0.05 1 139 449 14 SER N N 116.494 0.05 1 140 450 15 GLY H H 8.399 0.02 1 141 450 15 GLY HA2 H 3.951 0.02 2 142 450 15 GLY HA3 H 3.951 0.02 2 143 450 15 GLY C C 173.845 0.05 1 144 450 15 GLY CA C 45.448 0.05 1 145 450 15 GLY N N 110.702 0.05 1 146 451 16 ASP H H 8.159 0.02 1 147 451 16 ASP HA H 4.639 0.02 1 148 451 16 ASP HB2 H 2.592 0.02 2 149 451 16 ASP HB3 H 2.682 0.02 2 150 451 16 ASP C C 176.410 0.05 1 151 451 16 ASP CA C 54.670 0.05 1 152 451 16 ASP CB C 41.413 0.05 1 153 451 16 ASP N N 120.624 0.05 1 154 452 17 VAL H H 8.090 0.02 1 155 452 17 VAL HA H 4.114 0.02 1 156 452 17 VAL HB H 2.012 0.02 1 157 452 17 VAL HG1 H 0.961 0.02 2 158 452 17 VAL HG2 H 0.961 0.02 2 159 452 17 VAL C C 175.359 0.05 1 160 452 17 VAL CA C 62.355 0.05 1 161 452 17 VAL CB C 32.959 0.05 1 162 452 17 VAL CG1 C 21.334 0.05 1 163 452 17 VAL CG2 C 21.334 0.05 1 164 452 17 VAL N N 120.101 0.05 1 165 453 18 GLN H H 8.239 0.02 1 166 453 18 GLN HA H 4.419 0.02 1 167 453 18 GLN HB2 H 1.867 0.02 2 168 453 18 GLN HB3 H 2.024 0.02 2 169 453 18 GLN HE21 H 7.513 0.02 2 170 453 18 GLN HE22 H 6.854 0.02 2 171 453 18 GLN HG2 H 2.356 0.02 2 172 453 18 GLN HG3 H 2.356 0.02 2 173 453 18 GLN C C 175.513 0.05 1 174 453 18 GLN CA C 55.247 0.05 1 175 453 18 GLN CB C 30.654 0.05 1 176 453 18 GLN CG C 33.864 0.05 1 177 453 18 GLN N N 122.580 0.05 1 178 453 18 GLN NE2 N 112.989 0.05 1 179 454 19 VAL H H 8.599 0.02 1 180 454 19 VAL HA H 3.552 0.02 1 181 454 19 VAL HB H 1.867 0.02 1 182 454 19 VAL HG1 H 0.110 0.02 2 183 454 19 VAL HG2 H 0.599 0.02 2 184 454 19 VAL C C 174.370 0.05 1 185 454 19 VAL CA C 62.163 0.05 1 186 454 19 VAL CB C 30.077 0.05 1 187 454 19 VAL CG1 C 21.146 0.05 1 188 454 19 VAL CG2 C 21.146 0.05 1 189 454 19 VAL N N 123.391 0.05 1 190 455 20 THR H H 6.748 0.02 1 191 455 20 THR HA H 4.598 0.02 1 192 455 20 THR HB H 4.535 0.02 1 193 455 20 THR HG2 H 1.106 0.02 1 194 455 20 THR C C 174.586 0.05 1 195 455 20 THR CA C 58.897 0.05 1 196 455 20 THR CB C 72.346 0.05 1 197 455 20 THR CG2 C 21.871 0.05 1 198 455 20 THR N N 113.661 0.05 1 199 456 21 GLU H H 9.119 0.02 1 200 456 21 GLU HA H 3.788 0.02 1 201 456 21 GLU HB2 H 1.905 0.02 2 202 456 21 GLU HB3 H 2.030 0.02 2 203 456 21 GLU HG2 H 2.139 0.02 2 204 456 21 GLU HG3 H 2.139 0.02 2 205 456 21 GLU C C 177.615 0.05 1 206 456 21 GLU CA C 60.050 0.05 1 207 456 21 GLU CB C 29.885 0.05 1 208 456 21 GLU CG C 37.124 0.05 1 209 456 21 GLU N N 122.422 0.05 1 210 457 22 ASP H H 8.420 0.02 1 211 457 22 ASP HA H 4.277 0.02 1 212 457 22 ASP HB2 H 2.513 0.02 2 213 457 22 ASP HB3 H 2.590 0.02 2 214 457 22 ASP C C 177.986 0.05 1 215 457 22 ASP CA C 57.552 0.05 1 216 457 22 ASP CB C 41.221 0.05 1 217 457 22 ASP N N 116.720 0.05 1 218 458 23 ALA H H 7.855 0.02 1 219 458 23 ALA HA H 3.969 0.02 1 220 458 23 ALA HB H 1.650 0.02 1 221 458 23 ALA C C 179.562 0.05 1 222 458 23 ALA CA C 55.054 0.05 1 223 458 23 ALA CB C 19.126 0.05 1 224 458 23 ALA N N 121.726 0.05 1 225 459 24 VAL H H 7.946 0.02 1 226 459 24 VAL HA H 3.679 0.02 1 227 459 24 VAL HB H 1.994 0.02 1 228 459 24 VAL HG1 H 0.780 0.02 2 229 459 24 VAL HG2 H 0.943 0.02 2 230 459 24 VAL C C 177.399 0.05 1 231 459 24 VAL CA C 67.543 0.05 1 232 459 24 VAL CB C 31.614 0.05 1 233 459 24 VAL CG1 C 22.462 0.05 1 234 459 24 VAL CG2 C 24.529 0.05 1 235 459 24 VAL N N 116.790 0.05 1 236 460 25 ARG H H 8.736 0.02 1 237 460 25 ARG HA H 3.697 0.02 1 238 460 25 ARG HB2 H 1.885 0.02 2 239 460 25 ARG HB3 H 1.885 0.02 2 240 460 25 ARG HD2 H 3.172 0.02 2 241 460 25 ARG HD3 H 3.280 0.02 2 242 460 25 ARG HG2 H 1.414 0.02 2 243 460 25 ARG HG3 H 1.523 0.02 2 244 460 25 ARG C C 178.542 0.05 1 245 460 25 ARG CA C 59.857 0.05 1 246 460 25 ARG CB C 29.885 0.05 1 247 460 25 ARG CD C 43.139 0.05 1 248 460 25 ARG CG C 28.101 0.05 1 249 460 25 ARG N N 119.432 0.05 1 250 461 26 ARG H H 7.880 0.02 1 251 461 26 ARG HA H 3.878 0.02 1 252 461 26 ARG HB2 H 1.689 0.02 2 253 461 26 ARG HB3 H 1.795 0.02 2 254 461 26 ARG HD2 H 3.009 0.02 2 255 461 26 ARG HD3 H 3.081 0.02 2 256 461 26 ARG HG2 H 1.378 0.02 2 257 461 26 ARG HG3 H 1.650 0.02 2 258 461 26 ARG C C 179.377 0.05 1 259 461 26 ARG CA C 59.857 0.05 1 260 461 26 ARG CB C 29.885 0.05 1 261 461 26 ARG CD C 43.515 0.05 1 262 461 26 ARG CG C 28.101 0.05 1 263 461 26 ARG N N 119.084 0.05 1 264 462 27 TYR H H 7.725 0.02 1 265 462 27 TYR HA H 4.512 0.02 1 266 462 27 TYR HB2 H 2.972 0.02 2 267 462 27 TYR HB3 H 3.389 0.02 2 268 462 27 TYR HD1 H 7.138 0.02 3 269 462 27 TYR HE1 H 6.630 0.02 3 270 462 27 TYR C C 178.388 0.05 1 271 462 27 TYR CA C 61.394 0.05 1 272 462 27 TYR CB C 37.763 0.05 1 273 462 27 TYR N N 117.505 0.05 1 274 463 28 LEU H H 8.312 0.02 1 275 463 28 LEU HA H 4.585 0.02 1 276 463 28 LEU HB2 H 1.360 0.02 2 277 463 28 LEU HB3 H 1.867 0.02 2 278 463 28 LEU HD1 H 0.689 0.02 2 279 463 28 LEU HD2 H 0.979 0.02 2 280 463 28 LEU HG H 2.066 0.02 1 281 463 28 LEU C C 178.573 0.05 1 282 463 28 LEU CA C 56.591 0.05 1 283 463 28 LEU CB C 42.374 0.05 1 284 463 28 LEU CD1 C 26.597 0.05 1 285 463 28 LEU CD2 C 23.589 0.05 1 286 463 28 LEU CG C 26.597 0.05 1 287 463 28 LEU N N 115.190 0.05 1 288 464 29 THR H H 7.954 0.02 1 289 464 29 THR HA H 4.531 0.02 1 290 464 29 THR HB H 4.204 0.02 1 291 464 29 THR HG2 H 1.179 0.02 1 292 464 29 THR C C 175.822 0.05 1 293 464 29 THR CA C 63.508 0.05 1 294 464 29 THR CB C 69.656 0.05 1 295 464 29 THR CG2 C 21.871 0.05 1 296 464 29 THR N N 111.922 0.05 1 297 465 30 ARG H H 7.430 0.02 1 298 465 30 ARG HA H 4.204 0.02 1 299 465 30 ARG HB2 H 2.048 0.02 2 300 465 30 ARG HB3 H 2.048 0.02 2 301 465 30 ARG HD2 H 3.226 0.02 2 302 465 30 ARG HD3 H 3.226 0.02 2 303 465 30 ARG HG2 H 1.704 0.02 2 304 465 30 ARG HG3 H 1.849 0.02 2 305 465 30 ARG C C 176.719 0.05 1 306 465 30 ARG CA C 58.512 0.05 1 307 465 30 ARG CB C 31.038 0.05 1 308 465 30 ARG CD C 43.703 0.05 1 309 465 30 ARG CG C 27.349 0.05 1 310 465 30 ARG N N 122.491 0.05 1 311 466 31 LYS H H 7.821 0.02 1 312 466 31 LYS HA H 4.716 0.02 1 313 466 31 LYS HB2 H 1.800 0.02 2 314 466 31 LYS HB3 H 1.880 0.02 2 315 466 31 LYS HG2 H 1.313 0.02 2 316 466 31 LYS HG3 H 1.439 0.02 2 317 466 31 LYS CA C 54.478 0.05 1 318 466 31 LYS CB C 33.343 0.05 1 319 466 31 LYS N N 116.790 0.05 1 320 467 32 PRO HA H 5.038 0.02 1 321 467 32 PRO HB2 H 1.722 0.02 2 322 467 32 PRO HB3 H 1.976 0.02 2 323 467 32 PRO HD2 H 3.534 0.02 2 324 467 32 PRO HD3 H 3.806 0.02 2 325 467 32 PRO HG2 H 1.795 0.02 2 326 467 32 PRO HG3 H 1.958 0.02 2 327 467 32 PRO C C 178.017 0.05 1 328 467 32 PRO CA C 62.163 0.05 1 329 467 32 PRO CB C 31.807 0.05 1 330 467 32 PRO CD C 50.484 0.05 1 331 467 32 PRO CG C 28.007 0.05 1 332 468 33 MET H H 8.928 0.02 1 333 468 33 MET HA H 5.219 0.02 1 334 468 33 MET HB2 H 1.885 0.02 2 335 468 33 MET HB3 H 2.266 0.02 2 336 468 33 MET HE H 1.867 0.02 1 337 468 33 MET HG2 H 2.755 0.02 2 338 468 33 MET HG3 H 2.827 0.02 2 339 468 33 MET C C 176.101 0.05 1 340 468 33 MET CA C 54.478 0.05 1 341 468 33 MET CB C 38.339 0.05 1 342 468 33 MET CG C 32.424 0.05 1 343 468 33 MET N N 121.726 0.05 1 344 469 34 THR H H 9.022 0.02 1 345 469 34 THR HA H 4.712 0.02 1 346 469 34 THR HB H 4.621 0.02 1 347 469 34 THR HG2 H 0.454 0.02 1 348 469 34 THR C C 175.761 0.05 1 349 469 34 THR CA C 60.245 0.05 1 350 469 34 THR CB C 71.336 0.05 1 351 469 34 THR CG2 C 20.582 0.05 1 352 469 34 THR N N 113.730 0.05 1 353 470 35 THR H H 9.081 0.02 1 354 470 35 THR HA H 3.806 0.02 1 355 470 35 THR HB H 4.150 0.02 1 356 470 35 THR HG2 H 1.215 0.02 1 357 470 35 THR C C 176.410 0.05 1 358 470 35 THR CA C 67.716 0.05 1 359 470 35 THR CB C 67.716 0.05 1 360 470 35 THR CG2 C 23.183 0.05 1 361 470 35 THR N N 115.677 0.05 1 362 471 36 LYS H H 8.030 0.02 1 363 471 36 LYS HA H 3.842 0.02 1 364 471 36 LYS HB2 H 1.668 0.02 2 365 471 36 LYS HB3 H 1.750 0.02 2 366 471 36 LYS HD2 H 1.777 0.02 2 367 471 36 LYS HD3 H 1.777 0.02 2 368 471 36 LYS HE2 H 2.918 0.02 2 369 471 36 LYS HE3 H 2.918 0.02 2 370 471 36 LYS HG2 H 1.342 0.02 2 371 471 36 LYS HG3 H 1.414 0.02 2 372 471 36 LYS C C 178.264 0.05 1 373 471 36 LYS CA C 59.858 0.05 1 374 471 36 LYS CB C 32.383 0.05 1 375 471 36 LYS CD C 29.229 0.05 1 376 471 36 LYS CE C 42.011 0.05 1 377 471 36 LYS CG C 25.281 0.05 1 378 471 36 LYS N N 120.683 0.05 1 379 472 37 ASP H H 7.837 0.02 1 380 472 37 ASP HA H 4.204 0.02 1 381 472 37 ASP HB2 H 2.574 0.02 2 382 472 37 ASP HB3 H 2.954 0.02 2 383 472 37 ASP C C 179.284 0.05 1 384 472 37 ASP CA C 57.296 0.05 1 385 472 37 ASP CB C 41.029 0.05 1 386 472 37 ASP N N 119.250 0.05 1 387 473 38 LEU H H 8.032 0.02 1 388 473 38 LEU HA H 3.842 0.02 1 389 473 38 LEU HB2 H 1.559 0.02 2 390 473 38 LEU HB3 H 1.994 0.02 2 391 473 38 LEU HD1 H 0.979 0.02 2 392 473 38 LEU HD2 H 0.979 0.02 2 393 473 38 LEU HG H 1.795 0.02 1 394 473 38 LEU C C 178.326 0.05 1 395 473 38 LEU CA C 57.936 0.05 1 396 473 38 LEU CB C 42.950 0.05 1 397 473 38 LEU CD1 C 25.469 0.05 1 398 473 38 LEU CD2 C 24.905 0.05 1 399 473 38 LEU CG C 27.349 0.05 1 400 473 38 LEU N N 120.200 0.05 1 401 474 39 LEU H H 8.406 0.02 1 402 474 39 LEU HA H 3.951 0.02 1 403 474 39 LEU HB2 H 1.650 0.02 2 404 474 39 LEU HB3 H 1.722 0.02 2 405 474 39 LEU HD1 H 0.309 0.02 2 406 474 39 LEU HD2 H 0.164 0.02 2 407 474 39 LEU HG H 0.834 0.02 1 408 474 39 LEU C C 179.621 0.05 1 409 474 39 LEU CA C 58.512 0.05 1 410 474 39 LEU CB C 41.413 0.05 1 411 474 39 LEU CD1 C 25.281 0.05 1 412 474 39 LEU CD2 C 24.341 0.05 1 413 474 39 LEU CG C 27.161 0.05 1 414 474 39 LEU N N 119.213 0.05 1 415 475 40 LYS H H 7.722 0.02 1 416 475 40 LYS HA H 4.005 0.02 1 417 475 40 LYS HB2 H 1.849 0.02 2 418 475 40 LYS HB3 H 1.849 0.02 2 419 475 40 LYS HD2 H 1.650 0.02 2 420 475 40 LYS HD3 H 1.650 0.02 2 421 475 40 LYS HE2 H 2.918 0.02 2 422 475 40 LYS HE3 H 2.918 0.02 2 423 475 40 LYS HG2 H 1.420 0.02 2 424 475 40 LYS HG3 H 1.550 0.02 2 425 475 40 LYS C C 178.666 0.05 1 426 475 40 LYS CA C 58.512 0.05 1 427 475 40 LYS CB C 32.383 0.05 1 428 475 40 LYS CD C 29.417 0.05 1 429 475 40 LYS CE C 42.011 0.05 1 430 475 40 LYS CG C 25.469 0.05 1 431 475 40 LYS N N 117.136 0.05 1 432 476 41 LYS H H 7.290 0.02 1 433 476 41 LYS HA H 3.896 0.02 1 434 476 41 LYS HB2 H 1.070 0.02 2 435 476 41 LYS HB3 H 1.070 0.02 2 436 476 41 LYS HD2 H 1.342 0.02 2 437 476 41 LYS HD3 H 1.342 0.02 2 438 476 41 LYS HE2 H 2.447 0.02 2 439 476 41 LYS HE3 H 2.447 0.02 2 440 476 41 LYS HG2 H 1.124 0.02 2 441 476 41 LYS HG3 H 1.124 0.02 2 442 476 41 LYS C C 177.244 0.05 1 443 476 41 LYS CA C 55.631 0.05 1 444 476 41 LYS CB C 31.230 0.05 1 445 476 41 LYS CD C 27.349 0.05 1 446 476 41 LYS CE C 42.011 0.05 1 447 476 41 LYS CG C 23.025 0.05 1 448 476 41 LYS N N 115.602 0.05 1 449 477 42 PHE H H 7.514 0.02 1 450 477 42 PHE HA H 4.657 0.02 1 451 477 42 PHE HB2 H 2.628 0.02 2 452 477 42 PHE HB3 H 3.190 0.02 2 453 477 42 PHE HD1 H 7.110 0.02 3 454 477 42 PHE HD2 H 7.110 0.02 3 455 477 42 PHE HE1 H 7.280 0.02 3 456 477 42 PHE HE2 H 7.280 0.02 3 457 477 42 PHE HZ H 7.220 0.02 1 458 477 42 PHE C C 173.999 0.05 1 459 477 42 PHE CA C 57.116 0.05 1 460 477 42 PHE CB C 39.300 0.05 1 461 477 42 PHE N N 117.485 0.05 1 462 478 43 GLN H H 8.145 0.02 1 463 478 43 GLN HA H 4.368 0.02 1 464 478 43 GLN HB2 H 2.338 0.02 2 465 478 43 GLN HB3 H 2.338 0.02 2 466 478 43 GLN HE21 H 7.591 0.02 2 467 478 43 GLN HE22 H 6.968 0.02 2 468 478 43 GLN HG2 H 2.470 0.02 2 469 478 43 GLN HG3 H 2.470 0.02 2 470 478 43 GLN C C 176.101 0.05 1 471 478 43 GLN CA C 55.992 0.05 1 472 478 43 GLN CB C 29.793 0.05 1 473 478 43 GLN CG C 33.928 0.05 1 474 478 43 GLN N N 121.332 0.05 1 475 478 43 GLN NE2 N 112.242 0.05 1 476 479 44 THR H H 8.460 0.02 1 477 479 44 THR HA H 4.204 0.02 1 478 479 44 THR HB H 4.386 0.02 1 479 479 44 THR HG2 H 1.179 0.02 1 480 479 44 THR C C 173.769 0.05 1 481 479 44 THR CA C 61.971 0.05 1 482 479 44 THR CB C 70.041 0.05 1 483 479 44 THR CG2 C 21.710 0.05 1 484 479 44 THR N N 117.622 0.05 1 485 480 45 LYS H H 8.354 0.02 1 486 480 45 LYS HA H 4.241 0.02 1 487 480 45 LYS HB2 H 1.849 0.02 2 488 480 45 LYS HB3 H 1.849 0.02 2 489 480 45 LYS HD2 H 1.668 0.02 2 490 480 45 LYS HD3 H 1.668 0.02 2 491 480 45 LYS HE2 H 2.972 0.02 2 492 480 45 LYS HE3 H 2.972 0.02 2 493 480 45 LYS HG2 H 1.432 0.02 2 494 480 45 LYS HG3 H 1.432 0.02 2 495 480 45 LYS C C 177.182 0.05 1 496 480 45 LYS CA C 57.744 0.05 1 497 480 45 LYS CB C 32.575 0.05 1 498 480 45 LYS CD C 29.229 0.05 1 499 480 45 LYS CE C 42.011 0.05 1 500 480 45 LYS CG C 24.905 0.05 1 501 480 45 LYS N N 120.867 0.05 1 502 481 46 LYS H H 8.011 0.02 1 503 481 46 LYS HA H 4.404 0.02 1 504 481 46 LYS HB2 H 1.903 0.02 2 505 481 46 LYS HB3 H 1.903 0.02 2 506 481 46 LYS HD2 H 1.704 0.02 2 507 481 46 LYS HD3 H 1.704 0.02 2 508 481 46 LYS HE2 H 2.972 0.02 2 509 481 46 LYS HE3 H 2.972 0.02 2 510 481 46 LYS HG2 H 1.450 0.02 2 511 481 46 LYS HG3 H 1.450 0.02 2 512 481 46 LYS C C 177.275 0.05 1 513 481 46 LYS CA C 56.976 0.05 1 514 481 46 LYS CB C 32.959 0.05 1 515 481 46 LYS CD C 29.041 0.05 1 516 481 46 LYS CE C 42.199 0.05 1 517 481 46 LYS CG C 25.469 0.05 1 518 481 46 LYS N N 118.180 0.05 1 519 482 47 THR H H 8.083 0.02 1 520 482 47 THR HA H 4.476 0.02 1 521 482 47 THR HB H 4.295 0.02 1 522 482 47 THR HG2 H 1.233 0.02 1 523 482 47 THR C C 176.564 0.05 1 524 482 47 THR CA C 61.971 0.05 1 525 482 47 THR CB C 70.233 0.05 1 526 482 47 THR CG2 C 20.958 0.05 1 527 482 47 THR N N 110.462 0.05 1 528 483 48 GLY H H 8.462 0.02 1 529 483 48 GLY HA2 H 3.806 0.02 2 530 483 48 GLY HA3 H 4.132 0.02 2 531 483 48 GLY C C 173.968 0.05 1 532 483 48 GLY CA C 45.551 0.05 1 533 483 48 GLY N N 110.532 0.05 1 534 484 49 LEU H H 8.070 0.02 1 535 484 49 LEU HA H 4.567 0.02 1 536 484 49 LEU HB2 H 1.492 0.02 2 537 484 49 LEU HB3 H 1.658 0.02 2 538 484 49 LEU HD1 H 0.780 0.02 2 539 484 49 LEU HD2 H 0.780 0.02 2 540 484 49 LEU HG H 1.487 0.02 1 541 484 49 LEU C C 177.430 0.05 1 542 484 49 LEU CA C 53.902 0.05 1 543 484 49 LEU CB C 43.719 0.05 1 544 484 49 LEU CD1 C 25.281 0.05 1 545 484 49 LEU CD2 C 23.025 0.05 1 546 484 49 LEU CG C 26.973 0.05 1 547 484 49 LEU N N 121.310 0.05 1 548 485 50 SER H H 8.711 0.02 1 549 485 50 SER HA H 4.620 0.02 1 550 485 50 SER HB2 H 4.050 0.02 2 551 485 50 SER HB3 H 4.349 0.02 2 552 485 50 SER C C 176.873 0.05 1 553 485 50 SER CA C 57.360 0.05 1 554 485 50 SER CB C 65.045 0.05 1 555 485 50 SER N N 116.720 0.05 1 556 486 51 SER H H 9.345 0.02 1 557 486 51 SER HA H 4.150 0.02 1 558 486 51 SER HB2 H 3.896 0.02 2 559 486 51 SER HB3 H 3.896 0.02 2 560 486 51 SER C C 176.008 0.05 1 561 486 51 SER CA C 62.547 0.05 1 562 486 51 SER CB C 62.547 0.05 1 563 486 51 SER N N 121.339 0.05 1 564 487 52 GLU H H 8.668 0.02 1 565 487 52 GLU HA H 3.896 0.02 1 566 487 52 GLU HB2 H 1.921 0.02 2 567 487 52 GLU HB3 H 1.994 0.02 2 568 487 52 GLU HG2 H 2.248 0.02 2 569 487 52 GLU HG3 H 2.248 0.02 2 570 487 52 GLU C C 178.728 0.05 1 571 487 52 GLU CA C 59.857 0.05 1 572 487 52 GLU CB C 29.501 0.05 1 573 487 52 GLU CG C 36.560 0.05 1 574 487 52 GLU N N 121.379 0.05 1 575 488 53 GLN H H 7.946 0.02 1 576 488 53 GLN HA H 4.096 0.02 1 577 488 53 GLN HB2 H 2.229 0.02 2 578 488 53 GLN HB3 H 2.012 0.02 2 579 488 53 GLN HE21 H 7.494 0.02 2 580 488 53 GLN HE22 H 6.866 0.02 2 581 488 53 GLN HG2 H 2.429 0.02 2 582 488 53 GLN HG3 H 2.429 0.02 2 583 488 53 GLN C C 178.573 0.05 1 584 488 53 GLN CA C 58.512 0.05 1 585 488 53 GLN CB C 29.309 0.05 1 586 488 53 GLN CG C 34.304 0.05 1 587 488 53 GLN N N 118.458 0.05 1 588 488 53 GLN NE2 N 111.775 0.05 1 589 489 54 THR H H 8.279 0.02 1 590 489 54 THR HA H 3.661 0.02 1 591 489 54 THR HB H 4.476 0.02 1 592 489 54 THR HG2 H 1.124 0.02 1 593 489 54 THR C C 179.315 0.05 1 594 489 54 THR CA C 67.159 0.05 1 595 489 54 THR CB C 68.696 0.05 1 596 489 54 THR CG2 C 20.690 0.05 1 597 489 54 THR N N 116.919 0.05 1 598 490 55 VAL H H 8.053 0.02 1 599 490 55 VAL HA H 3.498 0.02 1 600 490 55 VAL HB H 2.121 0.02 1 601 490 55 VAL HG1 H 0.943 0.02 2 602 490 55 VAL HG2 H 1.016 0.02 2 603 490 55 VAL C C 177.151 0.05 1 604 490 55 VAL CA C 67.159 0.05 1 605 490 55 VAL CB C 31.614 0.05 1 606 490 55 VAL CG1 C 23.401 0.05 1 607 490 55 VAL CG2 C 21.522 0.05 1 608 490 55 VAL N N 119.933 0.05 1 609 491 56 ASN H H 7.636 0.02 1 610 491 56 ASN HA H 4.440 0.02 1 611 491 56 ASN HB2 H 2.719 0.02 2 612 491 56 ASN HB3 H 2.827 0.02 2 613 491 56 ASN HD21 H 7.523 0.02 2 614 491 56 ASN HD22 H 6.968 0.02 2 615 491 56 ASN C C 178.079 0.05 1 616 491 56 ASN CA C 56.730 0.05 1 617 491 56 ASN CB C 38.613 0.05 1 618 491 56 ASN N N 118.193 0.05 1 619 491 56 ASN ND2 N 112.449 0.05 1 620 492 57 VAL H H 8.187 0.02 1 621 492 57 VAL HA H 3.715 0.02 1 622 492 57 VAL HB H 1.994 0.02 1 623 492 57 VAL HG1 H 0.889 0.02 2 624 492 57 VAL HG2 H 1.034 0.02 2 625 492 57 VAL C C 178.233 0.05 1 626 492 57 VAL CA C 66.006 0.05 1 627 492 57 VAL CB C 31.806 0.05 1 628 492 57 VAL CG1 C 21.309 0.05 1 629 492 57 VAL CG2 C 22.808 0.05 1 630 492 57 VAL N N 120.724 0.05 1 631 493 58 LEU H H 8.429 0.02 1 632 493 58 LEU HA H 3.770 0.02 1 633 493 58 LEU HB2 H 1.479 0.02 2 634 493 58 LEU HB3 H 1.790 0.02 2 635 493 58 LEU HD1 H 0.693 0.02 2 636 493 58 LEU HD2 H 0.773 0.02 2 637 493 58 LEU HG H 1.040 0.02 1 638 493 58 LEU C C 178.326 0.05 1 639 493 58 LEU CA C 57.936 0.05 1 640 493 58 LEU CB C 41.989 0.05 1 641 493 58 LEU CD1 C 25.244 0.05 1 642 493 58 LEU CD2 C 25.244 0.05 1 643 493 58 LEU CG C 27.306 0.05 1 644 493 58 LEU N N 120.417 0.05 1 645 494 59 ALA H H 8.444 0.02 1 646 494 59 ALA HA H 3.842 0.02 1 647 494 59 ALA HB H 1.487 0.02 1 648 494 59 ALA C C 180.118 0.05 1 649 494 59 ALA CA C 55.631 0.05 1 650 494 59 ALA CB C 18.357 0.05 1 651 494 59 ALA N N 120.228 0.05 1 652 495 60 GLN H H 7.459 0.02 1 653 495 60 GLN HA H 3.969 0.02 1 654 495 60 GLN HB2 H 2.157 0.02 2 655 495 60 GLN HB3 H 2.266 0.02 2 656 495 60 GLN HE21 H 7.344 0.02 2 657 495 60 GLN HE22 H 6.860 0.02 2 658 495 60 GLN HG2 H 2.429 0.02 2 659 495 60 GLN HG3 H 2.556 0.02 2 660 495 60 GLN C C 180.087 0.05 1 661 495 60 GLN CA C 58.657 0.05 1 662 495 60 GLN CB C 28.397 0.05 1 663 495 60 GLN CG C 33.677 0.05 1 664 495 60 GLN N N 116.423 0.05 1 665 495 60 GLN NE2 N 111.876 0.05 1 666 496 61 ILE H H 8.061 0.02 1 667 496 61 ILE HA H 3.552 0.02 1 668 496 61 ILE HB H 1.777 0.02 1 669 496 61 ILE HD1 H 0.508 0.02 1 670 496 61 ILE HG12 H 0.852 0.02 1 671 496 61 ILE HG13 H 1.831 0.02 1 672 496 61 ILE HG2 H 0.762 0.02 1 673 496 61 ILE C C 178.079 0.05 1 674 496 61 ILE CA C 65.237 0.05 1 675 496 61 ILE CB C 38.531 0.05 1 676 496 61 ILE CD1 C 14.191 0.05 1 677 496 61 ILE CG1 C 29.793 0.05 1 678 496 61 ILE CG2 C 18.326 0.05 1 679 496 61 ILE N N 120.906 0.05 1 680 497 62 LEU H H 8.825 0.02 1 681 497 62 LEU HA H 3.661 0.02 1 682 497 62 LEU HB2 H 0.925 0.02 2 683 497 62 LEU HB3 H 1.740 0.02 2 684 497 62 LEU HD1 H 0.255 0.02 2 685 497 62 LEU HD2 H 0.345 0.02 2 686 497 62 LEU HG H 1.541 0.02 1 687 497 62 LEU C C 179.346 0.05 1 688 497 62 LEU CA C 58.321 0.05 1 689 497 62 LEU CB C 41.221 0.05 1 690 497 62 LEU CD1 C 25.509 0.05 1 691 497 62 LEU CD2 C 22.813 0.05 1 692 497 62 LEU CG C 27.306 0.05 1 693 497 62 LEU N N 119.412 0.05 1 694 498 63 LYS H H 7.750 0.02 1 695 498 63 LYS HA H 3.987 0.02 1 696 498 63 LYS HB2 H 1.849 0.02 2 697 498 63 LYS HB3 H 1.849 0.02 2 698 498 63 LYS HD2 H 1.450 0.02 2 699 498 63 LYS HD3 H 1.450 0.02 2 700 498 63 LYS HE2 H 2.954 0.02 2 701 498 63 LYS HE3 H 2.954 0.02 2 702 498 63 LYS HG2 H 1.668 0.02 2 703 498 63 LYS HG3 H 1.668 0.02 2 704 498 63 LYS C C 178.820 0.05 1 705 498 63 LYS CA C 59.281 0.05 1 706 498 63 LYS CB C 32.383 0.05 1 707 498 63 LYS CD C 29.229 0.05 1 708 498 63 LYS CE C 42.199 0.05 1 709 498 63 LYS CG C 25.093 0.05 1 710 498 63 LYS N N 118.601 0.05 1 711 499 64 ARG H H 7.361 0.02 1 712 499 64 ARG HA H 4.078 0.02 1 713 499 64 ARG HB2 H 1.903 0.02 2 714 499 64 ARG HB3 H 1.903 0.02 2 715 499 64 ARG HD2 H 3.190 0.02 2 716 499 64 ARG HD3 H 3.190 0.02 2 717 499 64 ARG HG2 H 1.613 0.02 2 718 499 64 ARG HG3 H 1.740 0.02 2 719 499 64 ARG C C 178.480 0.05 1 720 499 64 ARG CA C 58.705 0.05 1 721 499 64 ARG CB C 30.654 0.05 1 722 499 64 ARG CD C 43.515 0.05 1 723 499 64 ARG CG C 27.725 0.05 1 724 499 64 ARG N N 117.873 0.05 1 725 500 65 LEU H H 8.195 0.02 1 726 500 65 LEU HA H 4.041 0.02 1 727 500 65 LEU HB2 H 1.342 0.02 2 728 500 65 LEU HB3 H 1.613 0.02 2 729 500 65 LEU HD1 H 0.689 0.02 2 730 500 65 LEU HD2 H 0.798 0.02 2 731 500 65 LEU HG H 1.831 0.02 1 732 500 65 LEU C C 176.564 0.05 1 733 500 65 LEU CA C 56.207 0.05 1 734 500 65 LEU CB C 43.526 0.05 1 735 500 65 LEU CD1 C 26.409 0.05 1 736 500 65 LEU CD2 C 22.837 0.05 1 737 500 65 LEU CG C 26.409 0.05 1 738 500 65 LEU N N 117.348 0.05 1 739 501 66 ASN H H 7.920 0.02 1 740 501 66 ASN HA H 4.470 0.02 1 741 501 66 ASN HB2 H 2.430 0.02 2 742 501 66 ASN HB3 H 3.250 0.02 2 743 501 66 ASN HD21 H 7.551 0.02 2 744 501 66 ASN HD22 H 6.740 0.02 2 745 501 66 ASN CA C 53.325 0.05 1 746 501 66 ASN CB C 38.147 0.05 1 747 501 66 ASN N N 112.694 0.05 1 748 501 66 ASN ND2 N 111.859 0.05 1 749 502 67 PRO HA H 4.567 0.02 1 750 502 67 PRO HB2 H 1.994 0.02 2 751 502 67 PRO HB3 H 2.284 0.02 2 752 502 67 PRO HD2 H 3.715 0.02 2 753 502 67 PRO HD3 H 3.806 0.02 2 754 502 67 PRO HG2 H 1.487 0.02 2 755 502 67 PRO HG3 H 1.813 0.02 2 756 502 67 PRO C C 176.657 0.05 1 757 502 67 PRO CA C 63.471 0.05 1 758 502 67 PRO CB C 32.178 0.05 1 759 502 67 PRO CD C 50.728 0.05 1 760 502 67 PRO CG C 27.493 0.05 1 761 503 68 GLU H H 8.447 0.02 1 762 503 68 GLU HA H 4.259 0.02 1 763 503 68 GLU HB2 H 2.012 0.02 2 764 503 68 GLU HB3 H 2.012 0.02 2 765 503 68 GLU HG2 H 2.175 0.02 2 766 503 68 GLU HG3 H 2.356 0.02 2 767 503 68 GLU C C 175.977 0.05 1 768 503 68 GLU CA C 56.975 0.05 1 769 503 68 GLU CB C 30.462 0.05 1 770 503 68 GLU CG C 36.675 0.05 1 771 503 68 GLU N N 120.399 0.05 1 772 504 69 ARG H H 8.417 0.02 1 773 504 69 ARG HA H 5.020 0.02 1 774 504 69 ARG HB2 H 1.650 0.02 2 775 504 69 ARG HB3 H 1.650 0.02 2 776 504 69 ARG HD2 H 3.208 0.02 2 777 504 69 ARG HD3 H 3.208 0.02 2 778 504 69 ARG HG2 H 1.523 0.02 2 779 504 69 ARG HG3 H 1.686 0.02 2 780 504 69 ARG C C 175.915 0.05 1 781 504 69 ARG CA C 54.862 0.05 1 782 504 69 ARG CB C 31.807 0.05 1 783 504 69 ARG CD C 43.983 0.05 1 784 504 69 ARG CG C 27.680 0.05 1 785 504 69 ARG N N 123.317 0.05 1 786 505 70 LYS H H 8.886 0.02 1 787 505 70 LYS HA H 4.494 0.02 1 788 505 70 LYS HB2 H 1.523 0.02 2 789 505 70 LYS HB3 H 1.595 0.02 2 790 505 70 LYS HD2 H 1.530 0.02 2 791 505 70 LYS HD3 H 1.530 0.02 2 792 505 70 LYS HE2 H 2.827 0.02 2 793 505 70 LYS HE3 H 2.827 0.02 2 794 505 70 LYS HG2 H 1.233 0.02 2 795 505 70 LYS HG3 H 1.233 0.02 2 796 505 70 LYS C C 174.833 0.05 1 797 505 70 LYS CA C 54.862 0.05 1 798 505 70 LYS CB C 36.226 0.05 1 799 505 70 LYS CD C 29.179 0.05 1 800 505 70 LYS CE C 41.921 0.05 1 801 505 70 LYS CG C 24.307 0.05 1 802 505 70 LYS N N 123.834 0.05 1 803 506 71 MET H H 8.750 0.02 1 804 506 71 MET HA H 4.875 0.02 1 805 506 71 MET HB2 H 1.885 0.02 2 806 506 71 MET HB3 H 1.940 0.02 2 807 506 71 MET HG2 H 2.465 0.02 2 808 506 71 MET HG3 H 2.465 0.02 2 809 506 71 MET C C 176.132 0.05 1 810 506 71 MET CA C 54.093 0.05 1 811 506 71 MET CB C 31.038 0.05 1 812 506 71 MET N N 124.719 0.05 1 813 507 72 ILE H H 8.416 0.02 1 814 507 72 ILE HA H 4.041 0.02 1 815 507 72 ILE HB H 0.816 0.02 1 816 507 72 ILE HD1 H -0.235 0.02 1 817 507 72 ILE HG12 H 0.617 0.02 1 818 507 72 ILE HG13 H 1.034 0.02 1 819 507 72 ILE C C 175.977 0.05 1 820 507 72 ILE CA C 61.203 0.05 1 821 507 72 ILE CB C 40.068 0.05 1 822 507 72 ILE CG2 C 16.999 0.05 1 823 507 72 ILE N N 126.391 0.05 1 824 508 73 ASN H H 9.390 0.02 1 825 508 73 ASN HA H 4.277 0.02 1 826 508 73 ASN HB2 H 2.846 0.02 2 827 508 73 ASN HB3 H 3.027 0.02 2 828 508 73 ASN HD21 H 7.626 0.02 2 829 508 73 ASN HD22 H 6.868 0.02 2 830 508 73 ASN C C 174.277 0.05 1 831 508 73 ASN CA C 54.670 0.05 1 832 508 73 ASN CB C 37.186 0.05 1 833 508 73 ASN N N 126.490 0.05 1 834 508 73 ASN ND2 N 113.260 0.05 1 835 509 74 ASP H H 8.669 0.02 1 836 509 74 ASP HA H 4.168 0.02 1 837 509 74 ASP HB2 H 2.827 0.02 2 838 509 74 ASP HB3 H 2.900 0.02 2 839 509 74 ASP C C 174.803 0.05 1 840 509 74 ASP CA C 56.207 0.05 1 841 509 74 ASP CB C 40.068 0.05 1 842 509 74 ASP N N 109.521 0.05 1 843 510 75 LYS H H 7.830 0.02 1 844 510 75 LYS HA H 4.730 0.02 1 845 510 75 LYS HB2 H 1.704 0.02 2 846 510 75 LYS HB3 H 1.813 0.02 2 847 510 75 LYS HD2 H 1.722 0.02 2 848 510 75 LYS HD3 H 1.722 0.02 2 849 510 75 LYS HE2 H 3.045 0.02 2 850 510 75 LYS HE3 H 3.045 0.02 2 851 510 75 LYS HG2 H 1.450 0.02 2 852 510 75 LYS HG3 H 1.450 0.02 2 853 510 75 LYS C C 176.997 0.05 1 854 510 75 LYS CA C 54.670 0.05 1 855 510 75 LYS CB C 36.372 0.05 1 856 510 75 LYS CD C 29.041 0.05 1 857 510 75 LYS CE C 42.199 0.05 1 858 510 75 LYS CG C 24.529 0.05 1 859 510 75 LYS N N 117.902 0.05 1 860 511 76 MET H H 9.235 0.02 1 861 511 76 MET HA H 4.494 0.02 1 862 511 76 MET HB2 H 1.903 0.02 2 863 511 76 MET HB3 H 1.903 0.02 2 864 511 76 MET HE H 1.813 0.02 1 865 511 76 MET HG2 H 2.048 0.02 2 866 511 76 MET HG3 H 2.048 0.02 2 867 511 76 MET C C 175.081 0.05 1 868 511 76 MET CA C 56.975 0.05 1 869 511 76 MET CB C 31.422 0.05 1 870 511 76 MET CE C 17.936 0.05 1 871 511 76 MET CG C 31.428 0.05 1 872 511 76 MET N N 129.097 0.05 1 873 512 77 HIS H H 9.294 0.02 1 874 512 77 HIS HA H 4.494 0.02 1 875 512 77 HIS HB2 H 2.755 0.02 2 876 512 77 HIS HB3 H 2.846 0.02 2 877 512 77 HIS HD2 H 6.581 0.02 4 878 512 77 HIS C C 173.505 0.05 1 879 512 77 HIS CA C 54.803 0.05 1 880 512 77 HIS CB C 32.252 0.05 1 881 512 77 HIS N N 125.968 0.05 1 882 513 78 PHE H H 9.160 0.02 1 883 513 78 PHE HA H 5.649 0.02 1 884 513 78 PHE HB2 H 2.864 0.02 2 885 513 78 PHE HB3 H 2.864 0.02 2 886 513 78 PHE HD1 H 7.100 0.02 3 887 513 78 PHE C C 175.761 0.05 1 888 513 78 PHE CA C 56.207 0.05 1 889 513 78 PHE CB C 42.374 0.05 1 890 513 78 PHE N N 120.405 0.05 1 891 514 79 SER H H 8.770 0.02 1 892 514 79 SER HA H 4.893 0.02 1 893 514 79 SER HB2 H 3.498 0.02 2 894 514 79 SER HB3 H 3.715 0.02 2 895 514 79 SER C C 172.083 0.05 1 896 514 79 SER CA C 57.744 0.05 1 897 514 79 SER CB C 65.814 0.05 1 898 514 79 SER N N 113.383 0.05 1 899 515 80 LEU H H 7.472 0.02 1 900 515 80 LEU HA H 4.893 0.02 1 901 515 80 LEU HB2 H 1.287 0.02 2 902 515 80 LEU HB3 H 1.559 0.02 2 903 515 80 LEU HD1 H 0.943 0.02 2 904 515 80 LEU HD2 H 1.052 0.02 2 905 515 80 LEU HG H 1.450 0.02 1 906 515 80 LEU C C 175.575 0.05 1 907 515 80 LEU CA C 53.325 0.05 1 908 515 80 LEU CB C 46.408 0.05 1 909 515 80 LEU CD1 C 27.493 0.05 1 910 515 80 LEU CD2 C 24.495 0.05 1 911 515 80 LEU CG C 27.604 0.05 1 912 515 80 LEU N N 123.326 0.05 1 913 516 81 LYS H H 8.478 0.02 1 914 516 81 LYS HA H 4.331 0.02 1 915 516 81 LYS HB2 H 1.800 0.02 2 916 516 81 LYS HB3 H 1.831 0.02 2 917 516 81 LYS HD2 H 1.668 0.02 2 918 516 81 LYS HD3 H 1.668 0.02 2 919 516 81 LYS HE2 H 2.990 0.02 2 920 516 81 LYS HE3 H 2.990 0.02 2 921 516 81 LYS HG2 H 1.450 0.02 2 922 516 81 LYS HG3 H 1.450 0.02 2 923 516 81 LYS C C 175.884 0.05 1 924 516 81 LYS CA C 56.399 0.05 1 925 516 81 LYS CB C 33.728 0.05 1 926 516 81 LYS CD C 29.179 0.05 1 927 516 81 LYS CE C 42.109 0.05 1 928 516 81 LYS CG C 24.682 0.05 1 929 516 81 LYS N N 121.796 0.05 1 930 517 82 GLU H H 8.054 0.02 1 931 517 82 GLU CA C 58.128 0.05 1 932 517 82 GLU CB C 31.038 0.05 1 933 517 82 GLU N N 126.593 0.05 1 stop_ save_