data_19977 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure human HCN2 CNBD in the cAMP-unbound state ; _BMRB_accession_number 19977 _BMRB_flat_file_name bmr19977.str _Entry_type original _Submission_date 2014-05-16 _Accession_date 2014-05-16 _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 Saponaro Andrea . . 2 Pauleta Sofia R. . 3 Cantini Francesca . . 4 Matzapetakis Manolis . . 5 Hammann Christian . . 6 Banci Lucia . . 7 Thiel Gerard . . 8 Santoro Bina . . 9 Moroni Anna . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 927 "13C chemical shifts" 624 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-02 original author . stop_ _Original_release_date 2014-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the mutual antagonism of cAMP and TRIP8b in regulating HCN channel function' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saponaro Andrea . . 2 Pauleta Sofia R. . 3 Cantini Francesca . . 4 Matzapetakis Manolis . . 5 Hammann Christian . . 6 Banci Lucia . . 7 Thiel Gerard . . 8 Santoro Bina . . 9 Moroni Anna . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human HCN2 CNBD in the cAMP-unbound state' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human HCN2 CNBD' $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 15918.672 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; GPSSPMELNGPLREEIVNFN CRKLVASMPLFANADPNFVT AMLTKLKFEVFQPGDYIIRE GTIGKKMYFIQHGVVSVLTK GNKEMKLSDGSYFGEICLLT RGRRTASVRADTYCRLYSLS VDNFNEVLEEYPMMRRAFET VAIDRLDRIGKKNSILLH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 515 GLY 2 516 PRO 3 517 SER 4 518 SER 5 519 PRO 6 520 MET 7 521 GLU 8 522 LEU 9 523 ASN 10 524 GLY 11 525 PRO 12 526 LEU 13 527 ARG 14 528 GLU 15 529 GLU 16 530 ILE 17 531 VAL 18 532 ASN 19 533 PHE 20 534 ASN 21 535 CYS 22 536 ARG 23 537 LYS 24 538 LEU 25 539 VAL 26 540 ALA 27 541 SER 28 542 MET 29 543 PRO 30 544 LEU 31 545 PHE 32 546 ALA 33 547 ASN 34 548 ALA 35 549 ASP 36 550 PRO 37 551 ASN 38 552 PHE 39 553 VAL 40 554 THR 41 555 ALA 42 556 MET 43 557 LEU 44 558 THR 45 559 LYS 46 560 LEU 47 561 LYS 48 562 PHE 49 563 GLU 50 564 VAL 51 565 PHE 52 566 GLN 53 567 PRO 54 568 GLY 55 569 ASP 56 570 TYR 57 571 ILE 58 572 ILE 59 573 ARG 60 574 GLU 61 575 GLY 62 576 THR 63 577 ILE 64 578 GLY 65 579 LYS 66 580 LYS 67 581 MET 68 582 TYR 69 583 PHE 70 584 ILE 71 585 GLN 72 586 HIS 73 587 GLY 74 588 VAL 75 589 VAL 76 590 SER 77 591 VAL 78 592 LEU 79 593 THR 80 594 LYS 81 595 GLY 82 596 ASN 83 597 LYS 84 598 GLU 85 599 MET 86 600 LYS 87 601 LEU 88 602 SER 89 603 ASP 90 604 GLY 91 605 SER 92 606 TYR 93 607 PHE 94 608 GLY 95 609 GLU 96 610 ILE 97 611 CYS 98 612 LEU 99 613 LEU 100 614 THR 101 615 ARG 102 616 GLY 103 617 ARG 104 618 ARG 105 619 THR 106 620 ALA 107 621 SER 108 622 VAL 109 623 ARG 110 624 ALA 111 625 ASP 112 626 THR 113 627 TYR 114 628 CYS 115 629 ARG 116 630 LEU 117 631 TYR 118 632 SER 119 633 LEU 120 634 SER 121 635 VAL 122 636 ASP 123 637 ASN 124 638 PHE 125 639 ASN 126 640 GLU 127 641 VAL 128 642 LEU 129 643 GLU 130 644 GLU 131 645 TYR 132 646 PRO 133 647 MET 134 648 MET 135 649 ARG 136 650 ARG 137 651 ALA 138 652 PHE 139 653 GLU 140 654 THR 141 655 VAL 142 656 ALA 143 657 ILE 144 658 ASP 145 659 ARG 146 660 LEU 147 661 ASP 148 662 ARG 149 663 ILE 150 664 GLY 151 665 LYS 152 666 LYS 153 667 ASN 154 668 SER 155 669 ILE 156 670 LEU 157 671 LEU 158 672 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 1Q3E "Hcn2j 443-645 In The Presence Of Cgmp" 96.20 207 100.00 100.00 9.39e-107 PDB 2MPF "Solution Structure Human Hcn2 Cnbd In The Camp-unbound State" 100.00 158 100.00 100.00 6.31e-112 PDB 2Q0A "Structure And Rearrangements In The Carboxy-Terminal Region Of Spih Channels" 93.04 200 99.32 99.32 1.10e-101 PDB 3BPZ "Hcn2-I 443-460 E502k In The Presence Of Camp" 93.04 202 99.32 100.00 3.08e-102 PDB 3ETQ "X-Ray Structure Of Cysteine-Free Fragment Of Mhcn2 C- Terminal Region From Amino Acids 443-630 Including C508n, C584s, And C601" 93.04 204 97.96 97.96 5.21e-99 PDB 3FFQ "Hcn2i 443-640 Apo-State" 93.04 202 100.00 100.00 6.32e-103 PDB 3U10 "Tetramerization Dynamics Of The C-terminus Underlies Isoform-specific Camp-gating In Hcn Channels" 96.20 210 100.00 100.00 1.83e-106 DBJ BAD32628 "Hyperpolarization-activated, cyclic nucleotide-gated cation channel 2 [Rattus norvegicus]" 96.20 863 100.00 100.00 2.09e-100 DBJ BAI44633 "hyperpolarization-activated cation channel 2 [Mus musculus]" 96.20 863 100.00 100.00 2.45e-100 DBJ BAI45607 "hyperpolarization activated cyclic nucleotide-gated potassium channel 2 [synthetic construct]" 96.20 889 100.00 100.00 3.35e-100 EMBL CAA12406 "hyperpolarization-activated cation channel, HAC1 [Mus musculus]" 96.20 863 100.00 100.00 2.58e-100 EMBL CAB42602 "hyperpolarization-activated cation channel HCN2 [Homo sapiens]" 96.20 889 100.00 100.00 3.64e-100 EMBL CAB42630 "hyperpolarization-activated cyclic nucleotide-gated channel hHCN2 [Homo sapiens]" 96.20 889 100.00 100.00 3.64e-100 GB AAC28444 "hyperpolarization-activated, cyclic nucleotide-gated channel 2 [Homo sapiens]" 96.20 889 100.00 100.00 4.00e-100 GB AAC39760 "ion channel BCNG-2, partial [Homo sapiens]" 96.20 597 100.00 100.00 4.04e-102 GB AAC40125 "ion channel BCNG-2, partial [Mus musculus]" 96.20 504 99.34 99.34 7.07e-103 GB AAF62174 "hyperpolarization-activated, cyclic nucleotide-gated potassium channel 2 [Rattus norvegicus]" 96.20 834 100.00 100.00 2.70e-100 GB AAI18002 "HCN2 protein, partial [synthetic construct]" 96.20 889 100.00 100.00 3.35e-100 REF NP_001185 "potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 [Homo sapiens]" 96.20 889 100.00 100.00 3.35e-100 REF NP_032252 "potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 [Mus musculus]" 96.20 863 100.00 100.00 2.58e-100 REF NP_446136 "potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 [Rattus norvegicus]" 96.20 863 100.00 100.00 2.09e-100 REF XP_002193445 "PREDICTED: LOW QUALITY PROTEIN: potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, partial [Taenio" 96.20 627 98.68 99.34 7.05e-101 REF XP_002689207 "PREDICTED: potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 isoform X2 [Bos taurus]" 96.20 809 100.00 100.00 2.58e-100 SP O88703 "RecName: Full=Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2; AltName: Full=Brain cyclic nucleo" 96.20 863 100.00 100.00 2.58e-100 SP Q9JKA9 "RecName: Full=Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2" 96.20 863 100.00 100.00 2.84e-100 SP Q9UL51 "RecName: Full=Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2; AltName: Full=Brain cyclic nucleo" 96.20 889 100.00 100.00 3.35e-100 TPG DAA27526 "TPA: hyperpolarization activated cyclic nucleotide-gated potassium channel 2-like [Bos taurus]" 96.20 1024 100.00 100.00 8.55e-99 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 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $entity 'recombinant technology' . Escherichia coli 'Rosetta strain' pET-24b 'modified pET-24b downstream of a double His6-maltose-binding protein (MBP) tag' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM [U-15N] 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 150 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 150 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 12 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . 'implemented in the web portal AMPS-NMR (http://pyenmr.cerm.unifi.it/access/index/amps-nmr)' stop_ loop_ _Task refinement stop_ _Details . save_ save_CING _Saveframe_category software _Name CING _Version . loop_ _Vendor _Address _Electronic_address 'Geerten Vuister, Jurgen F. Doreleijers and Alan Wilter Sousa da Silva' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_CANDID _Saveframe_category software _Name CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with a TCI-cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'equipped with a QXI-HCN gradient probe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'equipped with cryogenically cooled probe (CPTXI)' 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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7.0 . pH pressure 1 . atm 'ionic strength' 170 . 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 . . . 1.0 dioxane C 13 'methylene carbons' ppm 69.4 external direct . . . 1.0 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'human HCN2 CNBD' _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 1 516 2 PRO HA H 4.511 0.020 1 2 516 2 PRO HB2 H 2.303 0.020 2 3 516 2 PRO HB3 H 2.103 0.020 2 4 516 2 PRO HG2 H 1.879 0.020 2 5 516 2 PRO HG3 H 1.771 0.020 2 6 516 2 PRO HD2 H 3.484 0.020 2 7 516 2 PRO HD3 H 3.440 0.020 2 8 516 2 PRO CA C 62.224 0.3 1 9 516 2 PRO CB C 34.520 0.3 1 10 516 2 PRO CG C 24.622 0.3 1 11 516 2 PRO CD C 50.251 0.3 1 12 517 3 SER HA H 4.416 0.020 1 13 517 3 SER HB2 H 3.800 0.020 1 14 517 3 SER HB3 H 3.800 0.020 1 15 517 3 SER C C 174.078 0.3 1 16 517 3 SER CA C 58.273 0.3 1 17 517 3 SER CB C 63.721 0.3 1 18 518 4 SER H H 8.221 0.020 1 19 518 4 SER HA H 3.796 0.020 1 20 518 4 SER HB2 H 3.798 0.020 1 21 518 4 SER HB3 H 3.798 0.020 1 22 518 4 SER CA C 56.265 0.3 1 23 518 4 SER CB C 63.262 0.3 1 24 518 4 SER N N 118.569 0.3 1 25 519 5 PRO HA H 4.335 0.020 1 26 519 5 PRO HB2 H 2.240 0.020 2 27 519 5 PRO HB3 H 1.858 0.020 2 28 519 5 PRO HG2 H 1.947 0.020 1 29 519 5 PRO HG3 H 1.947 0.020 1 30 519 5 PRO HD2 H 3.747 0.020 2 31 519 5 PRO HD3 H 3.656 0.020 2 32 519 5 PRO C C 177.009 0.3 1 33 519 5 PRO CA C 63.448 0.3 1 34 519 5 PRO CB C 31.854 0.3 1 35 519 5 PRO CG C 27.245 0.3 1 36 519 5 PRO CD C 50.595 0.3 1 37 520 6 MET H H 8.258 0.020 1 38 520 6 MET HA H 4.321 0.020 1 39 520 6 MET HB2 H 1.985 0.020 2 40 520 6 MET HB3 H 1.912 0.020 2 41 520 6 MET HG2 H 2.513 0.020 2 42 520 6 MET HG3 H 2.466 0.020 2 43 520 6 MET C C 176.293 0.3 1 44 520 6 MET CA C 55.805 0.3 1 45 520 6 MET CB C 32.709 0.3 1 46 520 6 MET CG C 31.878 0.3 1 47 520 6 MET N N 119.429 0.3 1 48 521 7 GLU H H 8.210 0.020 1 49 521 7 GLU HA H 4.198 0.020 1 50 521 7 GLU HB2 H 1.944 0.020 2 51 521 7 GLU HB3 H 1.858 0.020 2 52 521 7 GLU HG2 H 2.152 0.020 1 53 521 7 GLU HG3 H 2.152 0.020 1 54 521 7 GLU C C 176.319 0.3 1 55 521 7 GLU CA C 56.479 0.3 1 56 521 7 GLU CB C 30.100 0.3 1 57 521 7 GLU CG C 36.130 0.3 1 58 521 7 GLU N N 121.524 0.3 1 59 522 8 LEU H H 8.112 0.020 1 60 522 8 LEU HA H 4.253 0.020 1 61 522 8 LEU HB2 H 1.502 0.020 1 62 522 8 LEU HB3 H 1.502 0.020 1 63 522 8 LEU HG H 1.528 0.020 1 64 522 8 LEU HD1 H 0.832 0.020 1 65 522 8 LEU HD2 H 0.772 0.020 1 66 522 8 LEU C C 176.887 0.3 1 67 522 8 LEU CA C 55.161 0.3 1 68 522 8 LEU CB C 42.160 0.3 1 69 522 8 LEU CG C 26.779 0.3 1 70 522 8 LEU CD1 C 24.692 0.3 1 71 522 8 LEU CD2 C 23.423 0.3 1 72 522 8 LEU N N 122.766 0.3 1 73 523 9 ASN H H 8.286 0.020 1 74 523 9 ASN HA H 4.691 0.020 1 75 523 9 ASN HB2 H 2.768 0.020 2 76 523 9 ASN HB3 H 2.664 0.020 2 77 523 9 ASN HD21 H 7.514 0.020 1 78 523 9 ASN HD22 H 6.845 0.020 1 79 523 9 ASN C C 175.081 0.3 1 80 523 9 ASN CA C 53.023 0.3 1 81 523 9 ASN CB C 39.104 0.3 1 82 523 9 ASN CG C 176.659 0.3 1 83 523 9 ASN N N 118.606 0.3 1 84 523 9 ASN ND2 N 112.953 0.3 1 85 524 10 GLY H H 8.061 0.020 1 86 524 10 GLY HA2 H 3.987 0.020 1 87 524 10 GLY HA3 H 3.987 0.020 1 88 524 10 GLY CA C 44.931 0.3 1 89 524 10 GLY N N 108.964 0.3 1 90 525 11 PRO HA H 4.443 0.020 1 91 525 11 PRO HB2 H 2.243 0.020 2 92 525 11 PRO HB3 H 2.183 0.020 2 93 525 11 PRO HG2 H 1.948 0.020 2 94 525 11 PRO HG3 H 1.899 0.020 2 95 525 11 PRO HD2 H 3.514 0.020 1 96 525 11 PRO HD3 H 3.514 0.020 1 97 525 11 PRO C C 177.141 0.3 1 98 525 11 PRO CA C 63.096 0.3 1 99 525 11 PRO CB C 32.160 0.3 1 100 525 11 PRO CG C 26.909 0.3 1 101 525 11 PRO CD C 49.638 0.3 1 102 526 12 LEU H H 8.203 0.020 1 103 526 12 LEU HA H 4.247 0.020 1 104 526 12 LEU HB2 H 1.557 0.020 2 105 526 12 LEU HB3 H 1.498 0.020 2 106 526 12 LEU HG H 1.531 0.020 1 107 526 12 LEU HD1 H 0.832 0.020 1 108 526 12 LEU HD2 H 0.775 0.020 1 109 526 12 LEU C C 177.423 0.3 1 110 526 12 LEU CA C 55.254 0.3 1 111 526 12 LEU CB C 42.118 0.3 1 112 526 12 LEU CG C 26.818 0.3 1 113 526 12 LEU CD1 C 24.733 0.3 1 114 526 12 LEU CD2 C 23.518 0.3 1 115 526 12 LEU N N 121.258 0.3 1 116 527 13 ARG H H 8.116 0.020 1 117 527 13 ARG HA H 4.165 0.020 1 118 527 13 ARG HB2 H 1.753 0.020 2 119 527 13 ARG HB3 H 1.713 0.020 2 120 527 13 ARG HG2 H 1.556 0.020 1 121 527 13 ARG HG3 H 1.556 0.020 1 122 527 13 ARG HD2 H 3.116 0.020 1 123 527 13 ARG HD3 H 3.116 0.020 1 124 527 13 ARG C C 176.456 0.3 1 125 527 13 ARG CA C 56.555 0.3 1 126 527 13 ARG CB C 30.478 0.3 1 127 527 13 ARG CG C 26.943 0.3 1 128 527 13 ARG CD C 43.109 0.3 1 129 527 13 ARG N N 121.455 0.3 1 130 528 14 GLU H H 8.338 0.020 1 131 528 14 GLU HA H 4.092 0.020 1 132 528 14 GLU HB2 H 1.943 0.020 2 133 528 14 GLU HB3 H 1.859 0.020 2 134 528 14 GLU HG2 H 2.154 0.020 1 135 528 14 GLU HG3 H 2.154 0.020 1 136 528 14 GLU C C 176.574 0.3 1 137 528 14 GLU CA C 57.209 0.3 1 138 528 14 GLU CB C 29.972 0.3 1 139 528 14 GLU CG C 36.194 0.3 1 140 528 14 GLU N N 121.280 0.3 1 141 529 15 GLU H H 8.366 0.020 1 142 529 15 GLU HA H 4.097 0.020 1 143 529 15 GLU HB2 H 1.941 0.020 2 144 529 15 GLU HB3 H 1.866 0.020 2 145 529 15 GLU HG2 H 2.154 0.020 1 146 529 15 GLU HG3 H 2.154 0.020 1 147 529 15 GLU C C 176.850 0.3 1 148 529 15 GLU CA C 57.056 0.3 1 149 529 15 GLU CB C 29.838 0.3 1 150 529 15 GLU CG C 36.171 0.3 1 151 529 15 GLU N N 120.988 0.3 1 152 530 16 ILE H H 7.941 0.020 1 153 530 16 ILE HA H 4.004 0.020 1 154 530 16 ILE HB H 1.803 0.020 1 155 530 16 ILE HG12 H 1.375 0.020 2 156 530 16 ILE HG13 H 1.093 0.020 2 157 530 16 ILE HG2 H 0.789 0.020 1 158 530 16 ILE HD1 H 0.719 0.020 1 159 530 16 ILE C C 176.611 0.3 1 160 530 16 ILE CA C 61.653 0.3 1 161 530 16 ILE CB C 38.119 0.3 1 162 530 16 ILE CG1 C 27.436 0.3 1 163 530 16 ILE CG2 C 17.405 0.3 1 164 530 16 ILE CD1 C 12.603 0.3 1 165 530 16 ILE N N 121.269 0.3 1 166 531 17 VAL H H 7.952 0.020 1 167 531 17 VAL HA H 3.862 0.020 1 168 531 17 VAL HB H 1.920 0.020 1 169 531 17 VAL HG1 H 0.767 0.020 1 170 531 17 VAL HG2 H 0.767 0.020 1 171 531 17 VAL C C 176.308 0.3 1 172 531 17 VAL CA C 63.257 0.3 1 173 531 17 VAL CB C 32.110 0.3 1 174 531 17 VAL CG1 C 20.932 0.3 1 175 531 17 VAL N N 122.870 0.3 1 176 532 18 ASN H H 8.267 0.020 1 177 532 18 ASN HA H 4.502 0.020 1 178 532 18 ASN HB2 H 2.682 0.020 1 179 532 18 ASN HB3 H 2.682 0.020 1 180 532 18 ASN HD21 H 7.516 0.020 1 181 532 18 ASN HD22 H 6.786 0.020 1 182 532 18 ASN C C 175.260 0.3 1 183 532 18 ASN CA C 53.718 0.3 1 184 532 18 ASN CB C 38.469 0.3 1 185 532 18 ASN N N 120.311 0.3 1 186 532 18 ASN ND2 N 112.632 0.3 1 187 533 19 PHE H H 8.055 0.020 1 188 533 19 PHE HA H 4.289 0.020 1 189 533 19 PHE HB2 H 3.105 0.020 2 190 533 19 PHE HB3 H 2.973 0.020 2 191 533 19 PHE HD1 H 7.247 0.020 1 192 533 19 PHE HD2 H 7.247 0.020 1 193 533 19 PHE HE1 H 7.181 0.020 1 194 533 19 PHE HE2 H 7.181 0.020 1 195 533 19 PHE CA C 59.097 0.3 1 196 533 19 PHE CB C 39.050 0.3 1 197 533 19 PHE N N 120.952 0.3 1 198 536 22 ARG H H 8.007 0.020 1 199 536 22 ARG HA H 3.408 0.020 1 200 536 22 ARG HB2 H 1.633 0.020 1 201 536 22 ARG HB3 H 1.633 0.020 1 202 536 22 ARG HG2 H 1.241 0.020 1 203 536 22 ARG HG3 H 1.241 0.020 1 204 536 22 ARG HD2 H 2.938 0.020 1 205 536 22 ARG HD3 H 2.938 0.020 1 206 536 22 ARG C C 177.139 0.3 1 207 536 22 ARG CA C 60.287 0.3 1 208 536 22 ARG CB C 29.225 0.3 1 209 536 22 ARG CG C 28.166 0.3 1 210 536 22 ARG CD C 42.667 0.3 1 211 536 22 ARG N N 120.697 0.3 1 212 537 23 LYS H H 7.576 0.020 1 213 537 23 LYS HA H 3.839 0.020 1 214 537 23 LYS HB2 H 1.668 0.020 1 215 537 23 LYS HB3 H 1.668 0.020 1 216 537 23 LYS HG2 H 1.285 0.020 1 217 537 23 LYS HG3 H 1.285 0.020 1 218 537 23 LYS HD2 H 1.571 0.020 1 219 537 23 LYS HD3 H 1.571 0.020 1 220 537 23 LYS HE2 H 2.875 0.020 1 221 537 23 LYS HE3 H 2.875 0.020 1 222 537 23 LYS C C 178.618 0.3 1 223 537 23 LYS CA C 58.770 0.3 1 224 537 23 LYS CB C 32.053 0.3 1 225 537 23 LYS CG C 24.727 0.3 1 226 537 23 LYS CD C 29.091 0.3 1 227 537 23 LYS CE C 42.083 0.3 1 228 537 23 LYS N N 116.910 0.3 1 229 538 24 LEU H H 7.213 0.020 1 230 538 24 LEU HA H 4.086 0.020 1 231 538 24 LEU HB2 H 1.598 0.020 2 232 538 24 LEU HB3 H 1.499 0.020 2 233 538 24 LEU HG H 1.227 0.020 1 234 538 24 LEU HD1 H 0.935 0.020 1 235 538 24 LEU HD2 H 0.920 0.020 1 236 538 24 LEU C C 178.449 0.3 1 237 538 24 LEU CA C 57.570 0.3 1 238 538 24 LEU CB C 41.739 0.3 1 239 538 24 LEU CG C 26.737 0.3 1 240 538 24 LEU CD1 C 24.418 0.3 1 241 538 24 LEU CD2 C 24.528 0.3 1 242 538 24 LEU N N 118.834 0.3 1 243 539 25 VAL H H 7.328 0.020 1 244 539 25 VAL HA H 3.388 0.020 1 245 539 25 VAL HB H 1.475 0.020 1 246 539 25 VAL HG1 H 0.152 0.020 1 247 539 25 VAL HG2 H 0.127 0.020 1 248 539 25 VAL C C 177.033 0.3 1 249 539 25 VAL CA C 64.867 0.3 1 250 539 25 VAL CB C 31.308 0.3 1 251 539 25 VAL CG1 C 21.462 0.3 1 252 539 25 VAL CG2 C 20.765 0.3 1 253 539 25 VAL N N 116.066 0.3 1 254 540 26 ALA H H 7.920 0.020 1 255 540 26 ALA HA H 3.916 0.020 1 256 540 26 ALA HB H 1.349 0.020 1 257 540 26 ALA C C 177.555 0.3 1 258 540 26 ALA CA C 53.656 0.3 1 259 540 26 ALA CB C 18.164 0.3 1 260 540 26 ALA N N 117.862 0.3 1 261 541 27 SER H H 7.326 0.020 1 262 541 27 SER HA H 4.363 0.020 1 263 541 27 SER HB2 H 4.142 0.020 2 264 541 27 SER HB3 H 4.100 0.020 2 265 541 27 SER C C 174.152 0.3 1 266 541 27 SER CA C 59.232 0.3 1 267 541 27 SER CB C 63.865 0.3 1 268 541 27 SER N N 110.460 0.3 1 269 542 28 MET H H 7.693 0.020 1 270 542 28 MET HA H 4.509 0.020 1 271 542 28 MET HB2 H 2.182 0.020 2 272 542 28 MET HB3 H 1.827 0.020 2 273 542 28 MET HG2 H 2.065 0.020 2 274 542 28 MET HG3 H 1.537 0.020 2 275 542 28 MET HE H 1.393 0.020 1 276 542 28 MET CA C 53.997 0.3 1 277 542 28 MET CB C 33.361 0.3 1 278 542 28 MET CG C 32.345 0.3 1 279 542 28 MET CE C 17.919 0.3 1 280 542 28 MET N N 126.210 0.3 1 281 543 29 PRO HA H 4.142 0.020 1 282 543 29 PRO HB2 H 2.329 0.020 1 283 543 29 PRO HB3 H 2.329 0.020 1 284 543 29 PRO HG2 H 2.050 0.020 1 285 543 29 PRO HG3 H 2.050 0.020 1 286 543 29 PRO HD2 H 4.203 0.020 2 287 543 29 PRO HD3 H 3.619 0.020 2 288 543 29 PRO C C 177.828 0.3 1 289 543 29 PRO CA C 65.846 0.3 1 290 543 29 PRO CB C 31.981 0.3 1 291 543 29 PRO CG C 27.531 0.3 1 292 543 29 PRO CD C 51.577 0.3 1 293 544 30 LEU H H 7.358 0.020 1 294 544 30 LEU HA H 3.845 0.020 1 295 544 30 LEU HB2 H 1.016 0.020 2 296 544 30 LEU HB3 H 0.841 0.020 2 297 544 30 LEU HG H 1.075 0.020 1 298 544 30 LEU HD1 H 0.484 0.020 1 299 544 30 LEU HD2 H 0.345 0.020 1 300 544 30 LEU C C 176.824 0.3 1 301 544 30 LEU CA C 56.955 0.3 1 302 544 30 LEU CB C 41.999 0.3 1 303 544 30 LEU CG C 26.610 0.3 1 304 544 30 LEU CD1 C 24.227 0.3 1 305 544 30 LEU CD2 C 23.782 0.3 1 306 544 30 LEU N N 115.020 0.3 1 307 545 31 PHE H H 7.423 0.020 1 308 545 31 PHE HA H 4.734 0.020 1 309 545 31 PHE HB2 H 3.110 0.020 1 310 545 31 PHE HB3 H 3.110 0.020 1 311 545 31 PHE HD1 H 7.249 0.020 1 312 545 31 PHE HD2 H 7.249 0.020 1 313 545 31 PHE HE1 H 6.995 0.020 1 314 545 31 PHE HE2 H 6.995 0.020 1 315 545 31 PHE HZ H 6.930 0.020 1 316 545 31 PHE C C 176.702 0.3 1 317 545 31 PHE CA C 56.116 0.3 1 318 545 31 PHE CB C 38.715 0.3 1 319 545 31 PHE CZ C 128.990 0.3 1 320 545 31 PHE N N 112.051 0.3 1 321 546 32 ALA H H 7.646 0.020 1 322 546 32 ALA HA H 4.150 0.020 1 323 546 32 ALA HB H 1.378 0.020 1 324 546 32 ALA C C 178.328 0.3 1 325 546 32 ALA CA C 54.984 0.3 1 326 546 32 ALA CB C 18.815 0.3 1 327 546 32 ALA N N 124.307 0.3 1 328 547 33 ASN H H 8.323 0.020 1 329 547 33 ASN HA H 4.744 0.020 1 330 547 33 ASN HB2 H 2.862 0.020 2 331 547 33 ASN HB3 H 2.588 0.020 2 332 547 33 ASN HD21 H 7.499 0.020 1 333 547 33 ASN HD22 H 6.852 0.020 1 334 547 33 ASN C C 174.451 0.3 1 335 547 33 ASN CA C 52.506 0.3 1 336 547 33 ASN CB C 38.627 0.3 1 337 547 33 ASN CG C 176.970 0.3 1 338 547 33 ASN N N 113.594 0.3 1 339 547 33 ASN ND2 N 113.419 0.3 1 340 548 34 ALA H H 7.190 0.020 1 341 548 34 ALA HA H 4.136 0.020 1 342 548 34 ALA HB H 1.513 0.020 1 343 548 34 ALA C C 176.320 0.3 1 344 548 34 ALA CA C 51.343 0.3 1 345 548 34 ALA CB C 20.447 0.3 1 346 548 34 ALA N N 120.857 0.3 1 347 549 35 ASP H H 7.475 0.020 1 348 549 35 ASP HA H 4.641 0.020 1 349 549 35 ASP HB2 H 2.714 0.020 2 350 549 35 ASP HB3 H 2.532 0.020 2 351 549 35 ASP CA C 52.432 0.3 1 352 549 35 ASP CB C 42.002 0.3 1 353 549 35 ASP N N 122.061 0.3 1 354 550 36 PRO HA H 4.130 0.020 1 355 550 36 PRO HB2 H 1.883 0.020 2 356 550 36 PRO HB3 H 2.296 0.020 2 357 550 36 PRO HG2 H 2.005 0.020 1 358 550 36 PRO HG3 H 2.005 0.020 1 359 550 36 PRO HD2 H 3.875 0.020 2 360 550 36 PRO HD3 H 3.846 0.020 2 361 550 36 PRO C C 179.076 0.3 1 362 550 36 PRO CA C 65.253 0.3 1 363 550 36 PRO CB C 32.113 0.3 1 364 550 36 PRO CG C 27.523 0.3 1 365 550 36 PRO CD C 51.083 0.3 1 366 551 37 ASN H H 8.747 0.020 1 367 551 37 ASN HA H 4.369 0.020 1 368 551 37 ASN HB2 H 3.000 0.020 2 369 551 37 ASN HB3 H 2.906 0.020 2 370 551 37 ASN HD21 H 8.157 0.020 1 371 551 37 ASN HD22 H 7.070 0.020 1 372 551 37 ASN C C 177.571 0.3 1 373 551 37 ASN CA C 55.997 0.3 1 374 551 37 ASN CB C 37.579 0.3 1 375 551 37 ASN CG C 176.844 0.3 1 376 551 37 ASN N N 116.671 0.3 1 377 551 37 ASN ND2 N 115.486 0.3 1 378 552 38 PHE H H 7.346 0.020 1 379 552 38 PHE HA H 3.208 0.020 1 380 552 38 PHE HB2 H 2.169 0.020 1 381 552 38 PHE HB3 H 2.169 0.020 1 382 552 38 PHE HD1 H 6.794 0.020 1 383 552 38 PHE HD2 H 6.794 0.020 1 384 552 38 PHE HE1 H 6.851 0.020 1 385 552 38 PHE HE2 H 6.851 0.020 1 386 552 38 PHE HZ H 6.990 0.020 1 387 552 38 PHE C C 175.692 0.3 1 388 552 38 PHE CA C 59.874 0.3 1 389 552 38 PHE CB C 38.367 0.3 1 390 552 38 PHE N N 123.291 0.3 1 391 553 39 VAL H H 7.433 0.020 1 392 553 39 VAL HA H 2.843 0.020 1 393 553 39 VAL HB H 1.995 0.020 1 394 553 39 VAL HG1 H 0.977 0.020 1 395 553 39 VAL HG2 H 0.606 0.020 1 396 553 39 VAL C C 177.041 0.3 1 397 553 39 VAL CA C 67.207 0.3 1 398 553 39 VAL CB C 31.019 0.3 1 399 553 39 VAL CG1 C 23.468 0.3 1 400 553 39 VAL CG2 C 20.721 0.3 1 401 553 39 VAL N N 118.950 0.3 1 402 554 40 THR H H 8.137 0.020 1 403 554 40 THR HA H 3.487 0.020 1 404 554 40 THR HB H 4.140 0.020 1 405 554 40 THR HG2 H 1.092 0.020 1 406 554 40 THR C C 175.829 0.3 1 407 554 40 THR CA C 66.659 0.3 1 408 554 40 THR CB C 68.553 0.3 1 409 554 40 THR CG2 C 22.282 0.3 1 410 554 40 THR N N 115.607 0.3 1 411 555 41 ALA H H 7.461 0.020 1 412 555 41 ALA HA H 4.056 0.020 1 413 555 41 ALA HB H 1.401 0.020 1 414 555 41 ALA C C 180.438 0.3 1 415 555 41 ALA CA C 54.825 0.3 1 416 555 41 ALA CB C 18.488 0.3 1 417 555 41 ALA N N 122.747 0.3 1 418 556 42 MET H H 7.994 0.020 1 419 556 42 MET HA H 3.754 0.020 1 420 556 42 MET HB2 H 1.559 0.020 2 421 556 42 MET HB3 H 1.484 0.020 2 422 556 42 MET HG2 H 1.946 0.020 1 423 556 42 MET HG3 H 1.946 0.020 1 424 556 42 MET HE H 1.156 0.020 1 425 556 42 MET C C 178.618 0.3 1 426 556 42 MET CA C 57.628 0.3 1 427 556 42 MET CB C 30.910 0.3 1 428 556 42 MET CG C 31.637 0.3 1 429 556 42 MET CE C 17.460 0.3 1 430 556 42 MET N N 119.583 0.3 1 431 557 43 LEU H H 7.939 0.020 1 432 557 43 LEU HA H 3.600 0.020 1 433 557 43 LEU HB2 H 1.799 0.020 2 434 557 43 LEU HB3 H 1.278 0.020 2 435 557 43 LEU HG H 1.809 0.020 1 436 557 43 LEU HD1 H 0.578 0.020 1 437 557 43 LEU HD2 H 0.353 0.020 1 438 557 43 LEU C C 179.742 0.3 1 439 557 43 LEU CA C 57.563 0.3 1 440 557 43 LEU CB C 40.590 0.3 1 441 557 43 LEU CG C 25.331 0.3 1 442 557 43 LEU CD1 C 25.018 0.3 1 443 557 43 LEU CD2 C 22.912 0.3 1 444 557 43 LEU N N 116.280 0.3 1 445 558 44 THR H H 7.240 0.020 1 446 558 44 THR HA H 4.110 0.020 1 447 558 44 THR HB H 4.262 0.020 1 448 558 44 THR HG2 H 1.313 0.020 1 449 558 44 THR C C 175.387 0.3 1 450 558 44 THR CA C 63.972 0.3 1 451 558 44 THR CB C 69.240 0.3 1 452 558 44 THR CG2 C 21.408 0.3 1 453 558 44 THR N N 107.255 0.3 1 454 559 45 LYS H H 7.568 0.020 1 455 559 45 LYS HA H 4.297 0.020 1 456 559 45 LYS HB2 H 1.790 0.020 1 457 559 45 LYS HB3 H 1.790 0.020 1 458 559 45 LYS HG2 H 1.482 0.020 1 459 559 45 LYS HG3 H 1.482 0.020 1 460 559 45 LYS HD2 H 1.352 0.020 1 461 559 45 LYS HD3 H 1.352 0.020 1 462 559 45 LYS HE2 H 2.714 0.020 2 463 559 45 LYS HE3 H 2.636 0.020 2 464 559 45 LYS C C 176.898 0.3 1 465 559 45 LYS CA C 53.429 0.3 1 466 559 45 LYS CB C 32.207 0.3 1 467 559 45 LYS CG C 23.483 0.3 1 468 559 45 LYS CD C 26.861 0.3 1 469 559 45 LYS CE C 42.359 0.3 1 470 559 45 LYS N N 117.202 0.3 1 471 560 46 LEU H H 6.952 0.020 1 472 560 46 LEU HA H 4.696 0.020 1 473 560 46 LEU HB2 H 1.371 0.020 1 474 560 46 LEU HB3 H 1.371 0.020 1 475 560 46 LEU HG H 1.771 0.020 1 476 560 46 LEU HD1 H 0.420 0.020 1 477 560 46 LEU HD2 H 0.531 0.020 1 478 560 46 LEU C C 177.447 0.3 1 479 560 46 LEU CA C 55.381 0.3 1 480 560 46 LEU CB C 42.509 0.3 1 481 560 46 LEU CG C 26.253 0.3 1 482 560 46 LEU CD1 C 25.791 0.3 1 483 560 46 LEU CD2 C 23.582 0.3 1 484 560 46 LEU N N 119.508 0.3 1 485 561 47 LYS H H 9.078 0.020 1 486 561 47 LYS HA H 4.810 0.020 1 487 561 47 LYS HB2 H 1.968 0.020 2 488 561 47 LYS HB3 H 1.846 0.020 2 489 561 47 LYS HG2 H 1.487 0.020 2 490 561 47 LYS HG3 H 1.347 0.020 2 491 561 47 LYS HD2 H 1.657 0.020 1 492 561 47 LYS HD3 H 1.657 0.020 1 493 561 47 LYS HE2 H 2.974 0.020 1 494 561 47 LYS HE3 H 2.974 0.020 1 495 561 47 LYS C C 175.073 0.3 1 496 561 47 LYS CA C 54.214 0.3 1 497 561 47 LYS CB C 34.239 0.3 1 498 561 47 LYS CG C 24.727 0.3 1 499 561 47 LYS CD C 28.732 0.3 1 500 561 47 LYS CE C 42.255 0.3 1 501 561 47 LYS N N 123.514 0.3 1 502 562 48 PHE H H 8.765 0.020 1 503 562 48 PHE HA H 4.602 0.020 1 504 562 48 PHE HB2 H 2.911 0.020 2 505 562 48 PHE HB3 H 2.814 0.020 2 506 562 48 PHE HD1 H 6.625 0.020 1 507 562 48 PHE HD2 H 6.625 0.020 1 508 562 48 PHE HE1 H 6.951 0.020 1 509 562 48 PHE HE2 H 6.951 0.020 1 510 562 48 PHE HZ H 6.912 0.020 1 511 562 48 PHE C C 175.010 0.3 1 512 562 48 PHE CA C 57.512 0.3 1 513 562 48 PHE CB C 39.876 0.3 1 514 562 48 PHE N N 126.517 0.3 1 515 563 49 GLU H H 8.753 0.020 1 516 563 49 GLU HA H 4.275 0.020 1 517 563 49 GLU HB2 H 2.108 0.020 1 518 563 49 GLU HB3 H 2.108 0.020 1 519 563 49 GLU HG2 H 2.015 0.020 1 520 563 49 GLU HG3 H 2.015 0.020 1 521 563 49 GLU C C 172.696 0.3 1 522 563 49 GLU CA C 55.753 0.3 1 523 563 49 GLU CB C 35.056 0.3 1 524 563 49 GLU CG C 36.302 0.3 1 525 563 49 GLU N N 128.845 0.3 1 526 564 50 VAL H H 7.595 0.020 1 527 564 50 VAL HA H 4.903 0.020 1 528 564 50 VAL HB H 1.628 0.020 1 529 564 50 VAL HG1 H 0.634 0.020 1 530 564 50 VAL HG2 H 0.610 0.020 1 531 564 50 VAL C C 175.313 0.3 1 532 564 50 VAL CA C 58.767 0.3 1 533 564 50 VAL CB C 34.456 0.3 1 534 564 50 VAL CG1 C 22.114 0.3 1 535 564 50 VAL CG2 C 20.376 0.3 1 536 564 50 VAL N N 116.264 0.3 1 537 565 51 PHE H H 8.165 0.020 1 538 565 51 PHE HA H 4.517 0.020 1 539 565 51 PHE HB2 H 3.028 0.020 2 540 565 51 PHE HB3 H 2.932 0.020 2 541 565 51 PHE HD1 H 6.940 0.020 1 542 565 51 PHE HD2 H 6.940 0.020 1 543 565 51 PHE HE1 H 7.390 0.020 1 544 565 51 PHE HE2 H 7.390 0.020 1 545 565 51 PHE HZ H 7.154 0.020 1 546 565 51 PHE C C 173.194 0.3 1 547 565 51 PHE CA C 56.982 0.3 1 548 565 51 PHE CB C 43.427 0.3 1 549 565 51 PHE N N 121.156 0.3 1 550 566 52 GLN H H 8.831 0.020 1 551 566 52 GLN HA H 4.466 0.020 1 552 566 52 GLN HB2 H 2.078 0.020 2 553 566 52 GLN HB3 H 1.737 0.020 2 554 566 52 GLN HG2 H 2.405 0.020 1 555 566 52 GLN HG3 H 2.405 0.020 1 556 566 52 GLN HE21 H 7.633 0.020 1 557 566 52 GLN HE22 H 6.719 0.020 1 558 566 52 GLN CA C 52.926 0.3 1 559 566 52 GLN CB C 27.659 0.3 1 560 566 52 GLN CG C 32.881 0.3 1 561 566 52 GLN CD C 180.161 0.3 1 562 566 52 GLN N N 120.001 0.3 1 563 566 52 GLN NE2 N 111.585 0.3 1 564 567 53 PRO HA H 3.438 0.020 1 565 567 53 PRO HB2 H 1.736 0.020 1 566 567 53 PRO HB3 H 1.736 0.020 1 567 567 53 PRO HG2 H 2.079 0.020 2 568 567 53 PRO HG3 H 1.735 0.020 2 569 567 53 PRO HD2 H 3.196 0.020 1 570 567 53 PRO HD3 H 3.196 0.020 1 571 567 53 PRO C C 177.663 0.3 1 572 567 53 PRO CA C 63.635 0.3 1 573 567 53 PRO CB C 30.793 0.3 1 574 567 53 PRO CG C 27.816 0.3 1 575 567 53 PRO CD C 49.768 0.3 1 576 568 54 GLY H H 8.954 0.020 1 577 568 54 GLY HA2 H 4.288 0.020 1 578 568 54 GLY HA3 H 4.288 0.020 1 579 568 54 GLY C C 174.579 0.3 1 580 568 54 GLY CA C 44.599 0.3 1 581 568 54 GLY N N 113.711 0.3 1 582 569 55 ASP H H 8.133 0.020 1 583 569 55 ASP HA H 4.522 0.020 1 584 569 55 ASP HB2 H 2.927 0.020 1 585 569 55 ASP HB3 H 2.927 0.020 1 586 569 55 ASP C C 176.420 0.3 1 587 569 55 ASP CA C 55.039 0.3 1 588 569 55 ASP CB C 41.718 0.3 1 589 569 55 ASP N N 121.723 0.3 1 590 570 56 TYR H H 8.999 0.020 1 591 570 56 TYR HA H 4.313 0.020 1 592 570 56 TYR HB2 H 2.837 0.020 2 593 570 56 TYR HB3 H 2.331 0.020 2 594 570 56 TYR HD1 H 7.081 0.020 1 595 570 56 TYR HD2 H 7.081 0.020 1 596 570 56 TYR HE1 H 6.685 0.020 1 597 570 56 TYR HE2 H 6.685 0.020 1 598 570 56 TYR C C 175.334 0.3 1 599 570 56 TYR CA C 59.559 0.3 1 600 570 56 TYR CB C 37.773 0.3 1 601 570 56 TYR N N 120.369 0.3 1 602 571 57 ILE H H 8.405 0.020 1 603 571 57 ILE HA H 3.166 0.020 1 604 571 57 ILE HB H 0.597 0.020 1 605 571 57 ILE HG12 H 0.508 0.020 2 606 571 57 ILE HG13 H -1.105 0.020 2 607 571 57 ILE HG2 H 0.066 0.020 1 608 571 57 ILE HD1 H -0.260 0.020 1 609 571 57 ILE C C 176.085 0.3 1 610 571 57 ILE CA C 63.056 0.3 1 611 571 57 ILE CB C 39.303 0.3 1 612 571 57 ILE CG1 C 26.354 0.3 1 613 571 57 ILE CG2 C 15.739 0.3 1 614 571 57 ILE CD1 C 16.519 0.3 1 615 571 57 ILE N N 127.049 0.3 1 616 572 58 ILE H H 7.408 0.020 1 617 572 58 ILE HA H 4.385 0.020 1 618 572 58 ILE HB H 1.453 0.020 1 619 572 58 ILE HG12 H 1.213 0.020 2 620 572 58 ILE HG13 H 1.147 0.020 2 621 572 58 ILE HG2 H 0.998 0.020 1 622 572 58 ILE HD1 H 1.019 0.020 1 623 572 58 ILE C C 175.239 0.3 1 624 572 58 ILE CA C 59.946 0.3 1 625 572 58 ILE CB C 42.937 0.3 1 626 572 58 ILE CG1 C 27.909 0.3 1 627 572 58 ILE CG2 C 17.859 0.3 1 628 572 58 ILE CD1 C 14.122 0.3 1 629 572 58 ILE N N 113.758 0.3 1 630 573 59 ARG H H 8.613 0.020 1 631 573 59 ARG HA H 4.722 0.020 1 632 573 59 ARG HB2 H 1.652 0.020 2 633 573 59 ARG HB3 H 1.551 0.020 2 634 573 59 ARG HG2 H 1.356 0.020 1 635 573 59 ARG HG3 H 1.356 0.020 1 636 573 59 ARG HD2 H 2.903 0.020 1 637 573 59 ARG HD3 H 2.903 0.020 1 638 573 59 ARG C C 175.384 0.3 1 639 573 59 ARG CA C 54.088 0.3 1 640 573 59 ARG CB C 31.905 0.3 1 641 573 59 ARG CG C 27.447 0.3 1 642 573 59 ARG CD C 42.814 0.3 1 643 573 59 ARG N N 124.863 0.3 1 644 574 60 GLU H H 8.516 0.020 1 645 574 60 GLU HA H 3.437 0.020 1 646 574 60 GLU HB2 H 1.823 0.020 1 647 574 60 GLU HB3 H 1.823 0.020 1 648 574 60 GLU HG2 H 1.992 0.020 1 649 574 60 GLU HG3 H 1.992 0.020 1 650 574 60 GLU C C 175.950 0.3 1 651 574 60 GLU CA C 57.645 0.3 1 652 574 60 GLU CB C 29.219 0.3 1 653 574 60 GLU CG C 35.010 0.3 1 654 574 60 GLU N N 126.645 0.3 1 655 575 61 GLY H H 8.675 0.020 1 656 575 61 GLY HA2 H 4.293 0.020 1 657 575 61 GLY HA3 H 4.293 0.020 1 658 575 61 GLY C C 174.128 0.3 1 659 575 61 GLY CA C 45.382 0.3 1 660 575 61 GLY N N 111.236 0.3 1 661 576 62 THR H H 7.283 0.020 1 662 576 62 THR HA H 4.490 0.020 1 663 576 62 THR HB H 4.338 0.020 1 664 576 62 THR HG2 H 1.189 0.020 1 665 576 62 THR C C 173.822 0.3 1 666 576 62 THR CA C 60.513 0.3 1 667 576 62 THR CB C 71.488 0.3 1 668 576 62 THR CG2 C 21.892 0.3 1 669 576 62 THR N N 109.861 0.3 1 670 577 63 ILE H H 8.703 0.020 1 671 577 63 ILE HA H 4.111 0.020 1 672 577 63 ILE HB H 1.809 0.020 1 673 577 63 ILE HG12 H 1.492 0.020 2 674 577 63 ILE HG13 H 1.142 0.020 2 675 577 63 ILE HG2 H 0.800 0.020 1 676 577 63 ILE HD1 H 0.743 0.020 1 677 577 63 ILE C C 177.014 0.3 1 678 577 63 ILE CA C 60.910 0.3 1 679 577 63 ILE CB C 37.173 0.3 1 680 577 63 ILE CG1 C 27.131 0.3 1 681 577 63 ILE CG2 C 17.287 0.3 1 682 577 63 ILE CD1 C 11.640 0.3 1 683 577 63 ILE N N 121.999 0.3 1 684 578 64 GLY H H 8.584 0.020 1 685 578 64 GLY HA2 H 4.275 0.020 2 686 578 64 GLY HA3 H 3.493 0.020 2 687 578 64 GLY CA C 46.388 0.3 1 688 578 64 GLY N N 115.318 0.3 1 689 579 65 LYS HA H 4.494 0.020 1 690 579 65 LYS HB2 H 2.073 0.020 2 691 579 65 LYS HB3 H 1.745 0.020 2 692 579 65 LYS HG2 H 1.429 0.020 1 693 579 65 LYS HG3 H 1.429 0.020 1 694 579 65 LYS HD2 H 1.666 0.020 1 695 579 65 LYS HD3 H 1.666 0.020 1 696 579 65 LYS HE2 H 2.935 0.020 1 697 579 65 LYS HE3 H 2.935 0.020 1 698 579 65 LYS C C 175.463 0.3 1 699 579 65 LYS CA C 55.714 0.3 1 700 579 65 LYS CB C 34.815 0.3 1 701 579 65 LYS CG C 24.917 0.3 1 702 579 65 LYS CD C 28.854 0.3 1 703 579 65 LYS CE C 42.040 0.3 1 704 580 66 LYS H H 7.314 0.020 1 705 580 66 LYS HA H 4.884 0.020 1 706 580 66 LYS HB2 H 1.204 0.020 1 707 580 66 LYS HB3 H 1.204 0.020 1 708 580 66 LYS HG2 H 1.038 0.020 1 709 580 66 LYS HG3 H 1.038 0.020 1 710 580 66 LYS HD2 H 1.601 0.020 2 711 580 66 LYS HD3 H 1.433 0.020 2 712 580 66 LYS HE2 H 2.796 0.020 1 713 580 66 LYS HE3 H 2.796 0.020 1 714 580 66 LYS C C 173.982 0.3 1 715 580 66 LYS CA C 55.111 0.3 1 716 580 66 LYS CB C 37.040 0.3 1 717 580 66 LYS CG C 24.169 0.3 1 718 580 66 LYS CD C 30.146 0.3 1 719 580 66 LYS CE C 41.698 0.3 1 720 580 66 LYS N N 117.874 0.3 1 721 581 67 MET H H 8.361 0.020 1 722 581 67 MET HA H 4.708 0.020 1 723 581 67 MET HB2 H 1.865 0.020 1 724 581 67 MET HB3 H 1.865 0.020 1 725 581 67 MET HG2 H 1.966 0.020 1 726 581 67 MET HG3 H 1.966 0.020 1 727 581 67 MET HE H 0.983 0.020 1 728 581 67 MET C C 172.568 0.3 1 729 581 67 MET CA C 53.626 0.3 1 730 581 67 MET CB C 34.350 0.3 1 731 581 67 MET CG C 34.747 0.3 1 732 581 67 MET CE C 17.562 0.3 1 733 581 67 MET N N 118.003 0.3 1 734 582 68 TYR H H 8.022 0.020 1 735 582 68 TYR HA H 4.907 0.020 1 736 582 68 TYR HB2 H 1.878 0.020 2 737 582 68 TYR HB3 H 0.615 0.020 2 738 582 68 TYR HD1 H 6.954 0.020 1 739 582 68 TYR HD2 H 6.954 0.020 1 740 582 68 TYR C C 173.109 0.3 1 741 582 68 TYR CA C 56.927 0.3 1 742 582 68 TYR CB C 42.988 0.3 1 743 582 68 TYR N N 114.990 0.3 1 744 583 69 PHE H H 9.367 0.020 1 745 583 69 PHE HA H 4.823 0.020 1 746 583 69 PHE HB2 H 2.954 0.020 2 747 583 69 PHE HB3 H 2.839 0.020 2 748 583 69 PHE HD1 H 7.121 0.020 1 749 583 69 PHE HD2 H 7.121 0.020 1 750 583 69 PHE HE1 H 6.873 0.020 1 751 583 69 PHE HE2 H 6.873 0.020 1 752 583 69 PHE HZ H 6.990 0.020 1 753 583 69 PHE C C 175.966 0.3 1 754 583 69 PHE CA C 56.228 0.3 1 755 583 69 PHE CB C 41.946 0.3 1 756 583 69 PHE N N 117.309 0.3 1 757 584 70 ILE H H 9.158 0.020 1 758 584 70 ILE HA H 4.078 0.020 1 759 584 70 ILE HB H 1.841 0.020 1 760 584 70 ILE HG12 H 1.453 0.020 1 761 584 70 ILE HG13 H 1.453 0.020 1 762 584 70 ILE HG2 H 0.490 0.020 1 763 584 70 ILE HD1 H 0.601 0.020 1 764 584 70 ILE C C 175.129 0.3 1 765 584 70 ILE CA C 61.921 0.3 1 766 584 70 ILE CB C 37.931 0.3 1 767 584 70 ILE CG1 C 27.025 0.3 1 768 584 70 ILE CG2 C 17.002 0.3 1 769 584 70 ILE CD1 C 14.326 0.3 1 770 584 70 ILE N N 121.475 0.3 1 771 585 71 GLN H H 8.497 0.020 1 772 585 71 GLN HA H 4.333 0.020 1 773 585 71 GLN HB2 H 2.229 0.020 1 774 585 71 GLN HB3 H 2.229 0.020 1 775 585 71 GLN HG2 H 2.102 0.020 2 776 585 71 GLN HG3 H 1.874 0.020 2 777 585 71 GLN HE21 H 6.922 0.020 1 778 585 71 GLN HE22 H 6.727 0.020 1 779 585 71 GLN C C 175.571 0.3 1 780 585 71 GLN CA C 58.530 0.3 1 781 585 71 GLN CB C 28.296 0.3 1 782 585 71 GLN CG C 33.947 0.3 1 783 585 71 GLN N N 130.475 0.3 1 784 585 71 GLN NE2 N 110.912 0.3 1 785 586 72 HIS H H 7.981 0.020 1 786 586 72 HIS HA H 4.893 0.020 1 787 586 72 HIS HB2 H 3.103 0.020 2 788 586 72 HIS HB3 H 2.864 0.020 2 789 586 72 HIS HD2 H 6.911 0.020 1 790 586 72 HIS C C 172.702 0.3 1 791 586 72 HIS CA C 55.018 0.3 1 792 586 72 HIS CB C 33.188 0.3 1 793 586 72 HIS N N 113.351 0.3 1 794 587 73 GLY H H 8.267 0.020 1 795 587 73 GLY HA2 H 4.684 0.020 1 796 587 73 GLY HA3 H 4.684 0.020 1 797 587 73 GLY C C 169.824 0.3 1 798 587 73 GLY CA C 44.158 0.3 1 799 587 73 GLY N N 115.182 0.3 1 800 588 74 VAL H H 7.305 0.020 1 801 588 74 VAL HA H 4.765 0.020 1 802 588 74 VAL HB H 1.693 0.020 1 803 588 74 VAL HG1 H 0.809 0.020 1 804 588 74 VAL HG2 H 0.809 0.020 1 805 588 74 VAL C C 175.513 0.3 1 806 588 74 VAL CA C 60.879 0.3 1 807 588 74 VAL CB C 34.668 0.3 1 808 588 74 VAL CG1 C 21.138 0.3 1 809 588 74 VAL N N 117.417 0.3 1 810 589 75 VAL H H 8.760 0.020 1 811 589 75 VAL HA H 4.841 0.020 1 812 589 75 VAL HB H 1.364 0.020 1 813 589 75 VAL HG1 H 0.403 0.020 1 814 589 75 VAL HG2 H 0.094 0.020 1 815 589 75 VAL C C 173.698 0.3 1 816 589 75 VAL CA C 57.533 0.3 1 817 589 75 VAL CB C 33.283 0.3 1 818 589 75 VAL CG1 C 21.315 0.3 1 819 589 75 VAL CG2 C 19.680 0.3 1 820 589 75 VAL N N 117.953 0.3 1 821 590 76 SER H H 8.805 0.020 1 822 590 76 SER HA H 4.899 0.020 1 823 590 76 SER HB2 H 3.400 0.020 2 824 590 76 SER HB3 H 3.298 0.020 2 825 590 76 SER C C 172.955 0.3 1 826 590 76 SER CA C 57.746 0.3 1 827 590 76 SER CB C 65.224 0.3 1 828 590 76 SER N N 115.641 0.3 1 829 591 77 VAL H H 9.085 0.020 1 830 591 77 VAL HA H 4.239 0.020 1 831 591 77 VAL HB H 1.887 0.020 1 832 591 77 VAL HG1 H 0.642 0.020 1 833 591 77 VAL HG2 H 0.515 0.020 1 834 591 77 VAL C C 175.952 0.3 1 835 591 77 VAL CA C 61.574 0.3 1 836 591 77 VAL CB C 31.602 0.3 1 837 591 77 VAL CG1 C 20.952 0.3 1 838 591 77 VAL CG2 C 19.957 0.3 1 839 591 77 VAL N N 125.341 0.3 1 840 592 78 LEU H H 8.998 0.020 1 841 592 78 LEU HA H 4.867 0.020 1 842 592 78 LEU HB2 H 1.505 0.020 1 843 592 78 LEU HB3 H 1.505 0.020 1 844 592 78 LEU HG H 1.358 0.020 1 845 592 78 LEU HD1 H 0.711 0.020 1 846 592 78 LEU HD2 H 0.711 0.020 1 847 592 78 LEU C C 176.276 0.3 1 848 592 78 LEU CA C 54.281 0.3 1 849 592 78 LEU CB C 43.031 0.3 1 850 592 78 LEU CG C 26.681 0.3 1 851 592 78 LEU CD1 C 24.479 0.3 1 852 592 78 LEU N N 130.086 0.3 1 853 593 79 THR H H 8.383 0.020 1 854 593 79 THR HA H 4.613 0.020 1 855 593 79 THR HB H 4.137 0.020 1 856 593 79 THR HG2 H 1.142 0.020 1 857 593 79 THR C C 174.412 0.3 1 858 593 79 THR CA C 60.400 0.3 1 859 593 79 THR CB C 71.081 0.3 1 860 593 79 THR CG2 C 21.831 0.3 1 861 593 79 THR N N 117.229 0.3 1 862 594 80 LYS H H 8.793 0.020 1 863 594 80 LYS HA H 4.031 0.020 1 864 594 80 LYS HB2 H 1.768 0.020 1 865 594 80 LYS HB3 H 1.768 0.020 1 866 594 80 LYS HG2 H 1.431 0.020 2 867 594 80 LYS HG3 H 1.363 0.020 2 868 594 80 LYS HD2 H 1.624 0.020 1 869 594 80 LYS HD3 H 1.624 0.020 1 870 594 80 LYS HE2 H 2.924 0.020 1 871 594 80 LYS HE3 H 2.924 0.020 1 872 594 80 LYS CA C 57.781 0.3 1 873 594 80 LYS CB C 31.873 0.3 1 874 594 80 LYS CG C 24.532 0.3 1 875 594 80 LYS CD C 29.247 0.3 1 876 594 80 LYS CE C 41.993 0.3 1 877 594 80 LYS N N 123.932 0.3 1 878 595 81 GLY HA2 H 3.731 0.020 1 879 595 81 GLY HA3 H 3.731 0.020 1 880 595 81 GLY C C 173.879 0.3 1 881 595 81 GLY CA C 45.364 0.3 1 882 596 82 ASN H H 8.025 0.020 1 883 596 82 ASN HA H 4.762 0.020 1 884 596 82 ASN HB2 H 2.804 0.020 2 885 596 82 ASN HB3 H 2.676 0.020 2 886 596 82 ASN HD21 H 7.400 0.020 1 887 596 82 ASN HD22 H 6.825 0.020 1 888 596 82 ASN C C 174.656 0.3 1 889 596 82 ASN CA C 52.420 0.3 1 890 596 82 ASN CB C 39.721 0.3 1 891 596 82 ASN CG C 177.459 0.3 1 892 596 82 ASN N N 117.186 0.3 1 893 596 82 ASN ND2 N 112.843 0.3 1 894 597 83 LYS H H 7.969 0.020 1 895 597 83 LYS HA H 4.254 0.020 1 896 597 83 LYS HB2 H 1.773 0.020 2 897 597 83 LYS HB3 H 1.690 0.020 2 898 597 83 LYS HG2 H 1.356 0.020 1 899 597 83 LYS HG3 H 1.356 0.020 1 900 597 83 LYS HD2 H 1.608 0.020 1 901 597 83 LYS HD3 H 1.608 0.020 1 902 597 83 LYS HE2 H 2.921 0.020 1 903 597 83 LYS HE3 H 2.921 0.020 1 904 597 83 LYS C C 176.253 0.3 1 905 597 83 LYS CA C 56.079 0.3 1 906 597 83 LYS CB C 32.726 0.3 1 907 597 83 LYS CG C 24.623 0.3 1 908 597 83 LYS CD C 28.838 0.3 1 909 597 83 LYS CE C 42.059 0.3 1 910 597 83 LYS N N 120.353 0.3 1 911 598 84 GLU H H 8.629 0.020 1 912 598 84 GLU HA H 4.555 0.020 1 913 598 84 GLU HB2 H 1.788 0.020 1 914 598 84 GLU HB3 H 1.788 0.020 1 915 598 84 GLU HG2 H 2.110 0.020 2 916 598 84 GLU HG3 H 2.007 0.020 2 917 598 84 GLU C C 175.535 0.3 1 918 598 84 GLU CA C 56.472 0.3 1 919 598 84 GLU CB C 31.266 0.3 1 920 598 84 GLU CG C 36.061 0.3 1 921 598 84 GLU N N 123.742 0.3 1 922 599 85 MET H H 8.173 0.020 1 923 599 85 MET HA H 4.640 0.020 1 924 599 85 MET HB2 H 1.868 0.020 1 925 599 85 MET HB3 H 1.868 0.020 1 926 599 85 MET HG2 H 1.950 0.020 1 927 599 85 MET HG3 H 1.950 0.020 1 928 599 85 MET HE H 1.961 0.020 1 929 599 85 MET C C 174.078 0.3 1 930 599 85 MET CA C 54.530 0.3 1 931 599 85 MET CB C 35.196 0.3 1 932 599 85 MET CG C 35.194 0.3 1 933 599 85 MET CE C 16.854 0.3 1 934 599 85 MET N N 122.225 0.3 1 935 600 86 LYS H H 8.435 0.020 1 936 600 86 LYS HA H 5.333 0.020 1 937 600 86 LYS HB2 H 1.610 0.020 2 938 600 86 LYS HB3 H 1.437 0.020 2 939 600 86 LYS HG2 H 1.243 0.020 1 940 600 86 LYS HG3 H 1.243 0.020 1 941 600 86 LYS HD2 H 1.417 0.020 2 942 600 86 LYS HD3 H 1.336 0.020 2 943 600 86 LYS HE2 H 2.729 0.020 2 944 600 86 LYS HE3 H 2.687 0.020 2 945 600 86 LYS C C 176.387 0.3 1 946 600 86 LYS CA C 54.510 0.3 1 947 600 86 LYS CB C 34.318 0.3 1 948 600 86 LYS CG C 24.793 0.3 1 949 600 86 LYS CD C 28.635 0.3 1 950 600 86 LYS CE C 42.194 0.3 1 951 600 86 LYS N N 123.204 0.3 1 952 601 87 LEU H H 8.549 0.020 1 953 601 87 LEU HA H 4.598 0.020 1 954 601 87 LEU HB2 H 1.273 0.020 2 955 601 87 LEU HB3 H 1.237 0.020 2 956 601 87 LEU HG H 1.200 0.020 1 957 601 87 LEU HD1 H 0.561 0.020 1 958 601 87 LEU HD2 H 0.812 0.020 1 959 601 87 LEU C C 175.012 0.3 1 960 601 87 LEU CA C 53.338 0.3 1 961 601 87 LEU CB C 45.714 0.3 1 962 601 87 LEU CG C 26.191 0.3 1 963 601 87 LEU CD1 C 25.979 0.3 1 964 601 87 LEU CD2 C 22.701 0.3 1 965 601 87 LEU N N 121.952 0.3 1 966 602 88 SER H H 8.214 0.020 1 967 602 88 SER HA H 5.661 0.020 1 968 602 88 SER HB2 H 3.863 0.020 2 969 602 88 SER HB3 H 3.717 0.020 2 970 602 88 SER C C 173.881 0.3 1 971 602 88 SER CA C 55.503 0.3 1 972 602 88 SER CB C 65.641 0.3 1 973 602 88 SER N N 114.028 0.3 1 974 603 89 ASP H H 9.219 0.020 1 975 603 89 ASP HA H 3.756 0.020 1 976 603 89 ASP HB2 H 2.658 0.020 1 977 603 89 ASP HB3 H 2.658 0.020 1 978 603 89 ASP C C 176.396 0.3 1 979 603 89 ASP CA C 56.007 0.3 1 980 603 89 ASP CB C 39.995 0.3 1 981 603 89 ASP N N 116.599 0.3 1 982 604 90 GLY H H 9.045 0.020 1 983 604 90 GLY HA2 H 4.439 0.020 2 984 604 90 GLY HA3 H 3.639 0.020 2 985 604 90 GLY C C 174.532 0.3 1 986 604 90 GLY CA C 45.203 0.3 1 987 604 90 GLY N N 112.794 0.3 1 988 605 91 SER H H 8.075 0.020 1 989 605 91 SER HA H 4.738 0.020 1 990 605 91 SER HB2 H 4.002 0.020 2 991 605 91 SER HB3 H 3.952 0.020 2 992 605 91 SER C C 170.751 0.3 1 993 605 91 SER CA C 58.541 0.3 1 994 605 91 SER CB C 64.571 0.3 1 995 605 91 SER N N 115.612 0.3 1 996 606 92 TYR H H 7.520 0.020 1 997 606 92 TYR HA H 5.377 0.020 1 998 606 92 TYR HB2 H 2.800 0.020 2 999 606 92 TYR HB3 H 2.394 0.020 2 1000 606 92 TYR HD1 H 6.931 0.020 1 1001 606 92 TYR HD2 H 6.931 0.020 1 1002 606 92 TYR HE1 H 6.764 0.020 1 1003 606 92 TYR HE2 H 6.764 0.020 1 1004 606 92 TYR C C 173.337 0.3 1 1005 606 92 TYR CA C 54.808 0.3 1 1006 606 92 TYR CB C 41.371 0.3 1 1007 606 92 TYR N N 115.230 0.3 1 1008 607 93 PHE H H 8.583 0.020 1 1009 607 93 PHE HA H 5.130 0.020 1 1010 607 93 PHE HB2 H 3.054 0.020 2 1011 607 93 PHE HB3 H 2.873 0.020 2 1012 607 93 PHE HD1 H 6.613 0.020 1 1013 607 93 PHE HD2 H 6.613 0.020 1 1014 607 93 PHE HE1 H 6.513 0.020 1 1015 607 93 PHE HE2 H 6.513 0.020 1 1016 607 93 PHE HZ H 6.261 0.020 1 1017 607 93 PHE C C 174.390 0.3 1 1018 607 93 PHE CA C 56.891 0.3 1 1019 607 93 PHE CB C 38.980 0.3 1 1020 607 93 PHE N N 111.548 0.3 1 1021 608 94 GLY H H 9.063 0.020 1 1022 608 94 GLY HA2 H 4.681 0.020 1 1023 608 94 GLY HA3 H 4.681 0.020 1 1024 608 94 GLY CA C 45.785 0.3 1 1025 608 94 GLY N N 107.661 0.3 1 1026 609 95 GLU H H 10.433 0.020 1 1027 609 95 GLU HA H 4.071 0.020 1 1028 609 95 GLU HB2 H 1.860 0.020 1 1029 609 95 GLU HB3 H 1.860 0.020 1 1030 609 95 GLU HG2 H 2.156 0.020 2 1031 609 95 GLU HG3 H 2.017 0.020 2 1032 609 95 GLU C C 176.226 0.3 1 1033 609 95 GLU CA C 56.498 0.3 1 1034 609 95 GLU CB C 30.151 0.3 1 1035 609 95 GLU CG C 36.148 0.3 1 1036 609 95 GLU N N 121.700 0.3 1 1037 610 96 ILE H H 8.189 0.020 1 1038 610 96 ILE HA H 4.072 0.020 1 1039 610 96 ILE HB H 1.782 0.020 1 1040 610 96 ILE HG12 H 1.372 0.020 2 1041 610 96 ILE HG13 H 1.092 0.020 2 1042 610 96 ILE HG2 H 0.784 0.020 1 1043 610 96 ILE HD1 H 0.774 0.020 1 1044 610 96 ILE CA C 61.036 0.3 1 1045 610 96 ILE CB C 38.350 0.3 1 1046 610 96 ILE CG1 C 27.360 0.3 1 1047 610 96 ILE CG2 C 17.337 0.3 1 1048 610 96 ILE CD1 C 12.991 0.3 1 1049 610 96 ILE N N 122.537 0.3 1 1050 611 97 CYS H H 7.279 0.020 1 1051 611 97 CYS HA H 4.581 0.020 1 1052 611 97 CYS HB2 H 2.810 0.020 2 1053 611 97 CYS HB3 H 2.701 0.020 2 1054 611 97 CYS C C 174.455 0.3 1 1055 611 97 CYS CA C 59.296 0.3 1 1056 611 97 CYS CB C 26.887 0.3 1 1057 611 97 CYS N N 116.074 0.3 1 1058 612 98 LEU H H 7.252 0.020 1 1059 612 98 LEU HA H 3.789 0.020 1 1060 612 98 LEU HB2 H 1.248 0.020 2 1061 612 98 LEU HB3 H 0.699 0.020 2 1062 612 98 LEU HG H 1.236 0.020 1 1063 612 98 LEU HD1 H 0.178 0.020 1 1064 612 98 LEU HD2 H 0.105 0.020 1 1065 612 98 LEU CA C 56.643 0.3 1 1066 612 98 LEU CB C 40.581 0.3 1 1067 612 98 LEU CG C 26.523 0.3 1 1068 612 98 LEU CD1 C 25.086 0.3 1 1069 612 98 LEU CD2 C 21.359 0.3 1 1070 612 98 LEU N N 119.557 0.3 1 1071 613 99 LEU H H 7.253 0.020 1 1072 613 99 LEU HA H 4.404 0.020 1 1073 613 99 LEU HB2 H 1.645 0.020 2 1074 613 99 LEU HB3 H 1.564 0.020 2 1075 613 99 LEU HG H 1.449 0.020 1 1076 613 99 LEU HD1 H 0.730 0.020 1 1077 613 99 LEU HD2 H 0.716 0.020 1 1078 613 99 LEU C C 177.391 0.3 1 1079 613 99 LEU CA C 55.070 0.3 1 1080 613 99 LEU CB C 43.610 0.3 1 1081 613 99 LEU CG C 26.841 0.3 1 1082 613 99 LEU CD1 C 25.448 0.3 1 1083 613 99 LEU CD2 C 22.768 0.3 1 1084 613 99 LEU N N 113.724 0.3 1 1085 614 100 THR H H 7.718 0.020 1 1086 614 100 THR HA H 4.442 0.020 1 1087 614 100 THR HB H 4.021 0.020 1 1088 614 100 THR HG2 H 1.018 0.020 1 1089 614 100 THR CA C 60.739 0.3 1 1090 614 100 THR CB C 70.753 0.3 1 1091 614 100 THR CG2 C 20.821 0.3 1 1092 614 100 THR N N 111.006 0.3 1 1093 615 101 ARG H H 8.343 0.020 1 1094 615 101 ARG HA H 4.432 0.020 1 1095 615 101 ARG HB2 H 1.853 0.020 2 1096 615 101 ARG HB3 H 1.739 0.020 2 1097 615 101 ARG HG2 H 1.587 0.020 2 1098 615 101 ARG HG3 H 1.542 0.020 2 1099 615 101 ARG HD2 H 3.157 0.020 1 1100 615 101 ARG HD3 H 3.157 0.020 1 1101 615 101 ARG CA C 57.497 0.3 1 1102 615 101 ARG CB C 29.667 0.3 1 1103 615 101 ARG CG C 27.449 0.3 1 1104 615 101 ARG CD C 43.240 0.3 1 1105 615 101 ARG N N 122.935 0.3 1 1106 616 102 GLY H H 8.150 0.020 1 1107 616 102 GLY HA2 H 4.057 0.020 2 1108 616 102 GLY HA3 H 3.844 0.020 2 1109 616 102 GLY C C 173.138 0.3 1 1110 616 102 GLY CA C 44.849 0.3 1 1111 616 102 GLY N N 109.300 0.3 1 1112 617 103 ARG H H 8.325 0.020 1 1113 617 103 ARG HA H 4.676 0.020 1 1114 617 103 ARG HB2 H 1.351 0.020 1 1115 617 103 ARG HB3 H 1.351 0.020 1 1116 617 103 ARG HG2 H 1.557 0.020 2 1117 617 103 ARG HG3 H 1.369 0.020 2 1118 617 103 ARG HD2 H 3.045 0.020 1 1119 617 103 ARG HD3 H 3.045 0.020 1 1120 617 103 ARG C C 177.471 0.3 1 1121 617 103 ARG CA C 55.205 0.3 1 1122 617 103 ARG CB C 31.595 0.3 1 1123 617 103 ARG CG C 27.819 0.3 1 1124 617 103 ARG CD C 42.708 0.3 1 1125 617 103 ARG N N 119.232 0.3 1 1126 618 104 ARG H H 9.094 0.020 1 1127 618 104 ARG HA H 3.802 0.020 1 1128 618 104 ARG HB2 H 1.545 0.020 1 1129 618 104 ARG HB3 H 1.545 0.020 1 1130 618 104 ARG HG2 H 1.536 0.020 1 1131 618 104 ARG HG3 H 1.536 0.020 1 1132 618 104 ARG HD2 H 3.126 0.020 1 1133 618 104 ARG HD3 H 3.126 0.020 1 1134 618 104 ARG CA C 55.112 0.3 1 1135 618 104 ARG CB C 31.459 0.3 1 1136 618 104 ARG CG C 26.242 0.3 1 1137 618 104 ARG CD C 43.112 0.3 1 1138 618 104 ARG N N 120.595 0.3 1 1139 620 106 ALA H H 7.419 0.020 1 1140 620 106 ALA HA H 4.669 0.020 1 1141 620 106 ALA HB H 1.137 0.020 1 1142 620 106 ALA C C 176.539 0.3 1 1143 620 106 ALA CA C 51.194 0.3 1 1144 620 106 ALA CB C 22.191 0.3 1 1145 620 106 ALA N N 122.075 0.3 1 1146 621 107 SER H H 8.365 0.020 1 1147 621 107 SER HA H 4.772 0.020 1 1148 621 107 SER HB2 H 4.085 0.020 1 1149 621 107 SER HB3 H 4.085 0.020 1 1150 621 107 SER C C 172.428 0.3 1 1151 621 107 SER CA C 57.138 0.3 1 1152 621 107 SER CB C 65.091 0.3 1 1153 621 107 SER N N 113.580 0.3 1 1154 622 108 VAL H H 8.985 0.020 1 1155 622 108 VAL HA H 4.850 0.020 1 1156 622 108 VAL HB H 1.185 0.020 1 1157 622 108 VAL HG1 H 0.429 0.020 1 1158 622 108 VAL HG2 H -0.348 0.020 1 1159 622 108 VAL C C 173.759 0.3 1 1160 622 108 VAL CA C 61.161 0.3 1 1161 622 108 VAL CB C 34.208 0.3 1 1162 622 108 VAL CG1 C 21.011 0.3 1 1163 622 108 VAL CG2 C 20.289 0.3 1 1164 622 108 VAL N N 121.492 0.3 1 1165 623 109 ARG H H 8.751 0.020 1 1166 623 109 ARG HA H 4.518 0.020 1 1167 623 109 ARG HB2 H 1.217 0.020 2 1168 623 109 ARG HB3 H 0.660 0.020 2 1169 623 109 ARG HG2 H 0.873 0.020 2 1170 623 109 ARG HG3 H 0.521 0.020 2 1171 623 109 ARG HD2 H 2.697 0.020 2 1172 623 109 ARG HD3 H 2.536 0.020 2 1173 623 109 ARG HE H 6.623 0.020 1 1174 623 109 ARG C C 174.065 0.3 1 1175 623 109 ARG CA C 52.797 0.3 1 1176 623 109 ARG CB C 34.783 0.3 1 1177 623 109 ARG CG C 25.812 0.3 1 1178 623 109 ARG CD C 43.130 0.3 1 1179 623 109 ARG N N 129.873 0.3 1 1180 623 109 ARG NE N 83.706 0.3 1 1181 624 110 ALA H H 8.745 0.020 1 1182 624 110 ALA HA H 4.084 0.020 1 1183 624 110 ALA HB H 1.386 0.020 1 1184 624 110 ALA C C 177.133 0.3 1 1185 624 110 ALA CA C 52.739 0.3 1 1186 624 110 ALA CB C 18.751 0.3 1 1187 624 110 ALA N N 127.858 0.3 1 1188 625 111 ASP H H 9.208 0.020 1 1189 625 111 ASP HA H 4.630 0.020 1 1190 625 111 ASP HB2 H 2.445 0.020 2 1191 625 111 ASP HB3 H 2.262 0.020 2 1192 625 111 ASP C C 176.513 0.3 1 1193 625 111 ASP CA C 55.247 0.3 1 1194 625 111 ASP CB C 41.305 0.3 1 1195 625 111 ASP N N 126.771 0.3 1 1196 626 112 THR H H 7.256 0.020 1 1197 626 112 THR HA H 4.545 0.020 1 1198 626 112 THR HB H 4.606 0.020 1 1199 626 112 THR HG2 H 1.051 0.020 1 1200 626 112 THR C C 173.759 0.3 1 1201 626 112 THR CA C 59.333 0.3 1 1202 626 112 THR CB C 73.340 0.3 1 1203 626 112 THR CG2 C 20.178 0.3 1 1204 626 112 THR N N 108.771 0.3 1 1205 627 113 TYR H H 8.443 0.020 1 1206 627 113 TYR HA H 4.422 0.020 1 1207 627 113 TYR HB2 H 3.082 0.020 2 1208 627 113 TYR HB3 H 2.849 0.020 2 1209 627 113 TYR HD1 H 7.064 0.020 1 1210 627 113 TYR HD2 H 7.064 0.020 1 1211 627 113 TYR HE1 H 6.668 0.020 1 1212 627 113 TYR HE2 H 6.668 0.020 1 1213 627 113 TYR C C 177.824 0.3 1 1214 627 113 TYR CA C 59.882 0.3 1 1215 627 113 TYR CB C 38.284 0.3 1 1216 627 113 TYR N N 119.597 0.3 1 1217 628 114 CYS H H 8.741 0.020 1 1218 628 114 CYS HA H 5.328 0.020 1 1219 628 114 CYS HB2 H 2.573 0.020 2 1220 628 114 CYS HB3 H 2.264 0.020 2 1221 628 114 CYS C C 172.313 0.3 1 1222 628 114 CYS CA C 58.449 0.3 1 1223 628 114 CYS CB C 31.451 0.3 1 1224 628 114 CYS N N 127.921 0.3 1 1225 629 115 ARG H H 9.005 0.020 1 1226 629 115 ARG HA H 4.410 0.020 1 1227 629 115 ARG HB2 H 1.976 0.020 2 1228 629 115 ARG HB3 H 1.907 0.020 2 1229 629 115 ARG HG2 H 1.641 0.020 1 1230 629 115 ARG HG3 H 1.641 0.020 1 1231 629 115 ARG HD2 H 3.492 0.020 2 1232 629 115 ARG HD3 H 3.334 0.020 2 1233 629 115 ARG C C 173.982 0.3 1 1234 629 115 ARG CA C 55.314 0.3 1 1235 629 115 ARG CB C 32.784 0.3 1 1236 629 115 ARG CG C 27.431 0.3 1 1237 629 115 ARG CD C 43.989 0.3 1 1238 629 115 ARG N N 121.281 0.3 1 1239 630 116 LEU H H 8.949 0.020 1 1240 630 116 LEU HA H 5.312 0.020 1 1241 630 116 LEU HB2 H 1.717 0.020 2 1242 630 116 LEU HB3 H 1.662 0.020 2 1243 630 116 LEU HG H 1.556 0.020 1 1244 630 116 LEU HD1 H 0.638 0.020 1 1245 630 116 LEU HD2 H 0.764 0.020 1 1246 630 116 LEU C C 174.324 0.3 1 1247 630 116 LEU CA C 52.542 0.3 1 1248 630 116 LEU CB C 46.060 0.3 1 1249 630 116 LEU CG C 27.681 0.3 1 1250 630 116 LEU CD1 C 28.284 0.3 1 1251 630 116 LEU CD2 C 26.761 0.3 1 1252 630 116 LEU N N 123.294 0.3 1 1253 631 117 TYR H H 8.967 0.020 1 1254 631 117 TYR HA H 5.670 0.020 1 1255 631 117 TYR HB2 H 2.854 0.020 2 1256 631 117 TYR HB3 H 2.625 0.020 2 1257 631 117 TYR HD1 H 6.778 0.020 1 1258 631 117 TYR HD2 H 6.778 0.020 1 1259 631 117 TYR HE1 H 6.647 0.020 1 1260 631 117 TYR HE2 H 6.647 0.020 1 1261 631 117 TYR CA C 56.777 0.3 1 1262 631 117 TYR CB C 42.523 0.3 1 1263 631 117 TYR N N 115.674 0.3 1 1264 632 118 SER H H 10.324 0.020 1 1265 632 118 SER HA H 5.349 0.020 1 1266 632 118 SER HB2 H 3.318 0.020 2 1267 632 118 SER HB3 H 3.152 0.020 2 1268 632 118 SER CA C 54.510 0.3 1 1269 632 118 SER CB C 67.641 0.3 1 1270 632 118 SER N N 118.613 0.3 1 1271 633 119 LEU H H 8.001 0.020 1 1272 633 119 LEU HA H 4.891 0.020 1 1273 633 119 LEU HB2 H 1.553 0.020 2 1274 633 119 LEU HB3 H 1.194 0.020 2 1275 633 119 LEU HG H 0.891 0.020 1 1276 633 119 LEU HD1 H 0.862 0.020 1 1277 633 119 LEU HD2 H 0.862 0.020 1 1278 633 119 LEU C C 174.738 0.3 1 1279 633 119 LEU CA C 52.559 0.3 1 1280 633 119 LEU CB C 46.184 0.3 1 1281 633 119 LEU CG C 26.177 0.3 1 1282 633 119 LEU CD1 C 22.489 0.3 1 1283 634 120 SER H H 8.929 0.020 1 1284 634 120 SER HA H 5.036 0.020 1 1285 634 120 SER HB2 H 4.348 0.020 2 1286 634 120 SER HB3 H 3.925 0.020 2 1287 634 120 SER C C 175.072 0.3 1 1288 634 120 SER CA C 55.712 0.3 1 1289 634 120 SER CB C 65.297 0.3 1 1290 634 120 SER N N 122.508 0.3 1 1291 635 121 VAL H H 8.548 0.020 1 1292 635 121 VAL HA H 3.604 0.020 1 1293 635 121 VAL HB H 1.955 0.020 1 1294 635 121 VAL HG1 H 0.927 0.020 1 1295 635 121 VAL HG2 H 0.997 0.020 1 1296 635 121 VAL C C 177.576 0.3 1 1297 635 121 VAL CA C 65.875 0.3 1 1298 635 121 VAL CB C 32.005 0.3 1 1299 635 121 VAL CG1 C 23.047 0.3 1 1300 635 121 VAL CG2 C 20.709 0.3 1 1301 635 121 VAL N N 122.663 0.3 1 1302 636 122 ASP H H 8.251 0.020 1 1303 636 122 ASP HA H 4.464 0.020 1 1304 636 122 ASP HB2 H 2.691 0.020 2 1305 636 122 ASP HB3 H 2.411 0.020 2 1306 636 122 ASP C C 178.949 0.3 1 1307 636 122 ASP CA C 57.436 0.3 1 1308 636 122 ASP CB C 39.886 0.3 1 1309 636 122 ASP N N 118.531 0.3 1 1310 637 123 ASN H H 7.908 0.020 1 1311 637 123 ASN HA H 4.649 0.020 1 1312 637 123 ASN HB2 H 2.909 0.020 2 1313 637 123 ASN HB3 H 2.387 0.020 2 1314 637 123 ASN HD21 H 8.314 0.020 1 1315 637 123 ASN HD22 H 7.179 0.020 1 1316 637 123 ASN C C 176.441 0.3 1 1317 637 123 ASN CA C 55.956 0.3 1 1318 637 123 ASN CB C 38.348 0.3 1 1319 637 123 ASN CG C 175.552 0.3 1 1320 637 123 ASN N N 117.993 0.3 1 1321 637 123 ASN ND2 N 112.650 0.3 1 1322 638 124 PHE H H 8.707 0.020 1 1323 638 124 PHE HA H 4.111 0.020 1 1324 638 124 PHE HB2 H 3.236 0.020 2 1325 638 124 PHE HB3 H 2.933 0.020 2 1326 638 124 PHE HD1 H 7.168 0.020 1 1327 638 124 PHE HD2 H 7.168 0.020 1 1328 638 124 PHE HE1 H 7.059 0.020 1 1329 638 124 PHE HE2 H 7.059 0.020 1 1330 638 124 PHE HZ H 6.420 0.020 1 1331 638 124 PHE C C 176.565 0.3 1 1332 638 124 PHE CA C 61.189 0.3 1 1333 638 124 PHE CB C 39.541 0.3 1 1334 638 124 PHE N N 121.615 0.3 1 1335 639 125 ASN H H 8.628 0.020 1 1336 639 125 ASN HA H 4.227 0.020 1 1337 639 125 ASN HB2 H 2.912 0.020 2 1338 639 125 ASN HB3 H 2.735 0.020 2 1339 639 125 ASN HD21 H 7.608 0.020 1 1340 639 125 ASN HD22 H 6.912 0.020 1 1341 639 125 ASN C C 177.854 0.3 1 1342 639 125 ASN CA C 56.222 0.3 1 1343 639 125 ASN CB C 38.064 0.3 1 1344 639 125 ASN CG C 175.907 0.3 1 1345 639 125 ASN N N 116.590 0.3 1 1346 639 125 ASN ND2 N 111.667 0.3 1 1347 640 126 GLU H H 7.758 0.020 1 1348 640 126 GLU HA H 3.983 0.020 1 1349 640 126 GLU HB2 H 2.324 0.020 2 1350 640 126 GLU HB3 H 2.054 0.020 2 1351 640 126 GLU HG2 H 2.446 0.020 2 1352 640 126 GLU HG3 H 2.162 0.020 2 1353 640 126 GLU C C 179.506 0.3 1 1354 640 126 GLU CA C 59.377 0.3 1 1355 640 126 GLU CB C 29.573 0.3 1 1356 640 126 GLU CG C 36.192 0.3 1 1357 640 126 GLU N N 120.264 0.3 1 1358 641 127 VAL H H 7.542 0.020 1 1359 641 127 VAL HA H 3.821 0.020 1 1360 641 127 VAL HB H 1.864 0.020 1 1361 641 127 VAL HG1 H 0.873 0.020 1 1362 641 127 VAL HG2 H 0.745 0.020 1 1363 641 127 VAL C C 178.762 0.3 1 1364 641 127 VAL CA C 65.945 0.3 1 1365 641 127 VAL CB C 31.436 0.3 1 1366 641 127 VAL CG1 C 23.139 0.3 1 1367 641 127 VAL CG2 C 23.139 0.3 1 1368 641 127 VAL N N 119.307 0.3 1 1369 642 128 LEU H H 8.089 0.020 1 1370 642 128 LEU HA H 3.933 0.020 1 1371 642 128 LEU HB2 H 1.485 0.020 2 1372 642 128 LEU HB3 H 1.308 0.020 2 1373 642 128 LEU HG H 1.239 0.020 1 1374 642 128 LEU HD1 H 0.449 0.020 1 1375 642 128 LEU HD2 H 0.552 0.020 1 1376 642 128 LEU C C 178.898 0.3 1 1377 642 128 LEU CA C 57.836 0.3 1 1378 642 128 LEU CB C 41.982 0.3 1 1379 642 128 LEU CG C 26.059 0.3 1 1380 642 128 LEU CD1 C 25.177 0.3 1 1381 642 128 LEU CD2 C 24.437 0.3 1 1382 642 128 LEU N N 119.704 0.3 1 1383 643 129 GLU H H 7.538 0.020 1 1384 643 129 GLU HA H 3.898 0.020 1 1385 643 129 GLU HB2 H 2.055 0.020 2 1386 643 129 GLU HB3 H 1.989 0.020 2 1387 643 129 GLU HG2 H 2.357 0.020 2 1388 643 129 GLU HG3 H 2.273 0.020 2 1389 643 129 GLU C C 178.021 0.3 1 1390 643 129 GLU CA C 58.669 0.3 1 1391 643 129 GLU CB C 29.481 0.3 1 1392 643 129 GLU CG C 36.062 0.3 1 1393 643 129 GLU N N 116.825 0.3 1 1394 644 130 GLU H H 7.373 0.020 1 1395 644 130 GLU HA H 4.042 0.020 1 1396 644 130 GLU HB2 H 2.053 0.020 2 1397 644 130 GLU HB3 H 1.909 0.020 2 1398 644 130 GLU HG2 H 2.246 0.020 2 1399 644 130 GLU HG3 H 2.014 0.020 2 1400 644 130 GLU C C 175.267 0.3 1 1401 644 130 GLU CA C 56.607 0.3 1 1402 644 130 GLU CB C 30.317 0.3 1 1403 644 130 GLU CG C 36.321 0.3 1 1404 644 130 GLU N N 115.630 0.3 1 1405 645 131 TYR H H 7.510 0.020 1 1406 645 131 TYR HA H 4.797 0.020 1 1407 645 131 TYR HB2 H 2.928 0.020 2 1408 645 131 TYR HB3 H 2.640 0.020 2 1409 645 131 TYR HD1 H 7.342 0.020 1 1410 645 131 TYR HD2 H 7.342 0.020 1 1411 645 131 TYR HE1 H 6.669 0.020 1 1412 645 131 TYR HE2 H 6.669 0.020 1 1413 645 131 TYR CA C 56.126 0.3 1 1414 645 131 TYR CB C 39.351 0.3 1 1415 645 131 TYR N N 116.930 0.3 1 1416 646 132 PRO HA H 4.334 0.020 1 1417 646 132 PRO HB2 H 2.309 0.020 1 1418 646 132 PRO HB3 H 2.309 0.020 1 1419 646 132 PRO HG2 H 1.930 0.020 2 1420 646 132 PRO HG3 H 1.872 0.020 2 1421 646 132 PRO HD2 H 3.563 0.020 2 1422 646 132 PRO HD3 H 3.230 0.020 2 1423 646 132 PRO C C 179.701 0.3 1 1424 646 132 PRO CA C 64.969 0.3 1 1425 646 132 PRO CB C 31.698 0.3 1 1426 646 132 PRO CG C 27.376 0.3 1 1427 646 132 PRO CD C 50.298 0.3 1 1428 647 133 MET H H 8.926 0.020 1 1429 647 133 MET HA H 4.320 0.020 1 1430 647 133 MET HB2 H 2.139 0.020 2 1431 647 133 MET HB3 H 2.035 0.020 2 1432 647 133 MET HG2 H 2.703 0.020 2 1433 647 133 MET HG3 H 2.486 0.020 2 1434 647 133 MET HE H 2.062 0.020 1 1435 647 133 MET C C 179.718 0.3 1 1436 647 133 MET CA C 57.895 0.3 1 1437 647 133 MET CB C 30.672 0.3 1 1438 647 133 MET CG C 32.525 0.3 1 1439 647 133 MET CE C 16.973 0.3 1 1440 647 133 MET N N 117.052 0.3 1 1441 648 134 MET H H 7.760 0.020 1 1442 648 134 MET HA H 4.295 0.020 1 1443 648 134 MET HB2 H 1.580 0.020 1 1444 648 134 MET HB3 H 1.580 0.020 1 1445 648 134 MET HG2 H 1.882 0.020 1 1446 648 134 MET HG3 H 1.882 0.020 1 1447 648 134 MET HE H 1.561 0.020 1 1448 648 134 MET C C 177.256 0.3 1 1449 648 134 MET CA C 54.913 0.3 1 1450 648 134 MET CB C 30.562 0.3 1 1451 648 134 MET CG C 30.578 0.3 1 1452 648 134 MET CE C 16.072 0.3 1 1453 648 134 MET N N 118.613 0.3 1 1454 649 135 ARG H H 7.677 0.020 1 1455 649 135 ARG HA H 3.763 0.020 1 1456 649 135 ARG HB2 H 1.909 0.020 2 1457 649 135 ARG HB3 H 1.772 0.020 2 1458 649 135 ARG HG2 H 1.600 0.020 2 1459 649 135 ARG HG3 H 1.531 0.020 2 1460 649 135 ARG HD2 H 3.160 0.020 2 1461 649 135 ARG HD3 H 3.097 0.020 2 1462 649 135 ARG C C 178.188 0.3 1 1463 649 135 ARG CA C 60.261 0.3 1 1464 649 135 ARG CB C 29.504 0.3 1 1465 649 135 ARG CG C 27.382 0.3 1 1466 649 135 ARG CD C 43.155 0.3 1 1467 649 135 ARG N N 120.147 0.3 1 1468 650 136 ARG H H 7.682 0.020 1 1469 650 136 ARG HA H 4.069 0.020 1 1470 650 136 ARG HB2 H 1.812 0.020 1 1471 650 136 ARG HB3 H 1.812 0.020 1 1472 650 136 ARG HG2 H 1.634 0.020 1 1473 650 136 ARG HG3 H 1.634 0.020 1 1474 650 136 ARG HD2 H 3.151 0.020 1 1475 650 136 ARG HD3 H 3.151 0.020 1 1476 650 136 ARG C C 178.427 0.3 1 1477 650 136 ARG CA C 58.537 0.3 1 1478 650 136 ARG CB C 29.727 0.3 1 1479 650 136 ARG CG C 26.690 0.3 1 1480 650 136 ARG CD C 43.224 0.3 1 1481 650 136 ARG N N 116.559 0.3 1 1482 651 137 ALA H H 7.366 0.020 1 1483 651 137 ALA HA H 4.032 0.020 1 1484 651 137 ALA HB H 1.250 0.020 1 1485 651 137 ALA C C 179.793 0.3 1 1486 651 137 ALA CA C 54.631 0.3 1 1487 651 137 ALA CB C 17.674 0.3 1 1488 651 137 ALA N N 121.688 0.3 1 1489 652 138 PHE H H 7.950 0.020 1 1490 652 138 PHE HA H 4.439 0.020 1 1491 652 138 PHE HB2 H 3.292 0.020 2 1492 652 138 PHE HB3 H 3.063 0.020 2 1493 652 138 PHE HD1 H 7.151 0.020 1 1494 652 138 PHE HD2 H 7.151 0.020 1 1495 652 138 PHE HE1 H 7.111 0.020 1 1496 652 138 PHE HE2 H 7.111 0.020 1 1497 652 138 PHE HZ H 6.880 0.020 1 1498 652 138 PHE C C 176.871 0.3 1 1499 652 138 PHE CA C 58.783 0.3 1 1500 652 138 PHE CB C 38.377 0.3 1 1501 652 138 PHE N N 116.636 0.3 1 1502 653 139 GLU H H 8.002 0.020 1 1503 653 139 GLU HA H 4.090 0.020 1 1504 653 139 GLU HB2 H 2.142 0.020 2 1505 653 139 GLU HB3 H 2.049 0.020 2 1506 653 139 GLU HG2 H 2.496 0.020 2 1507 653 139 GLU HG3 H 2.251 0.020 2 1508 653 139 GLU C C 177.831 0.3 1 1509 653 139 GLU CA C 58.484 0.3 1 1510 653 139 GLU CB C 29.888 0.3 1 1511 653 139 GLU CG C 36.575 0.3 1 1512 653 139 GLU N N 118.990 0.3 1 1513 654 140 THR H H 7.676 0.020 1 1514 654 140 THR HA H 4.190 0.020 1 1515 654 140 THR HB H 4.279 0.020 1 1516 654 140 THR HG2 H 1.177 0.020 1 1517 654 140 THR C C 175.074 0.3 1 1518 654 140 THR CA C 63.239 0.3 1 1519 654 140 THR CB C 69.318 0.3 1 1520 654 140 THR CG2 C 21.459 0.3 1 1521 654 140 THR N N 111.018 0.3 1 1522 655 141 VAL H H 7.477 0.020 1 1523 655 141 VAL HA H 3.904 0.020 1 1524 655 141 VAL HB H 2.057 0.020 1 1525 655 141 VAL HG1 H 0.927 0.020 1 1526 655 141 VAL HG2 H 0.825 0.020 1 1527 655 141 VAL C C 176.006 0.3 1 1528 655 141 VAL CA C 63.397 0.3 1 1529 655 141 VAL CB C 32.064 0.3 1 1530 655 141 VAL CG1 C 21.432 0.3 1 1531 655 141 VAL CG2 C 20.977 0.3 1 1532 655 141 VAL N N 121.307 0.3 1 1533 656 142 ALA H H 8.129 0.020 1 1534 656 142 ALA HA H 4.187 0.020 1 1535 656 142 ALA HB H 1.309 0.020 1 1536 656 142 ALA CA C 52.881 0.3 1 1537 656 142 ALA CB C 18.858 0.3 1 1538 656 142 ALA N N 125.867 0.3 1 1539 657 143 ILE H H 7.951 0.020 1 1540 657 143 ILE HA H 4.023 0.020 1 1541 657 143 ILE HB H 1.816 0.020 1 1542 657 143 ILE HG12 H 1.142 0.020 1 1543 657 143 ILE HG13 H 1.142 0.020 1 1544 657 143 ILE HG2 H 0.844 0.020 1 1545 657 143 ILE HD1 H 0.776 0.020 1 1546 657 143 ILE C C 172.703 0.3 1 1547 657 143 ILE CA C 61.566 0.3 1 1548 657 143 ILE CB C 38.203 0.3 1 1549 657 143 ILE CG1 C 27.377 0.3 1 1550 657 143 ILE CG2 C 17.381 0.3 1 1551 657 143 ILE CD1 C 12.771 0.3 1 1552 657 143 ILE N N 119.617 0.3 1 1553 658 144 ASP HA H 4.474 0.020 1 1554 658 144 ASP HB2 H 2.626 0.020 1 1555 658 144 ASP HB3 H 2.626 0.020 1 1556 658 144 ASP C C 177.121 0.3 1 1557 658 144 ASP CA C 55.130 0.3 1 1558 658 144 ASP CB C 40.889 0.3 1 1559 659 145 ARG H H 7.992 0.020 1 1560 659 145 ARG HA H 4.177 0.020 1 1561 659 145 ARG HB2 H 1.838 0.020 2 1562 659 145 ARG HB3 H 1.700 0.020 2 1563 659 145 ARG HG2 H 1.600 0.020 2 1564 659 145 ARG HG3 H 1.546 0.020 2 1565 659 145 ARG HD2 H 3.113 0.020 1 1566 659 145 ARG HD3 H 3.113 0.020 1 1567 659 145 ARG C C 174.226 0.3 1 1568 659 145 ARG CA C 56.585 0.3 1 1569 659 145 ARG CB C 30.236 0.3 1 1570 659 145 ARG CG C 26.989 0.3 1 1571 659 145 ARG CD C 43.143 0.3 1 1572 659 145 ARG N N 119.156 0.3 1 1573 660 146 LEU H H 8.011 0.020 1 1574 660 146 LEU HA H 4.141 0.020 1 1575 660 146 LEU HB2 H 1.684 0.020 1 1576 660 146 LEU HB3 H 1.684 0.020 1 1577 660 146 LEU HG H 1.612 0.020 1 1578 660 146 LEU HD1 H 0.831 0.020 1 1579 660 146 LEU HD2 H 0.774 0.020 1 1580 660 146 LEU C C 177.573 0.3 1 1581 660 146 LEU CA C 56.273 0.3 1 1582 660 146 LEU CB C 41.940 0.3 1 1583 660 146 LEU CG C 26.914 0.3 1 1584 660 146 LEU CD1 C 24.767 0.3 1 1585 660 146 LEU CD2 C 23.276 0.3 1 1586 660 146 LEU N N 120.572 0.3 1 1587 661 147 ASP H H 8.132 0.020 1 1588 661 147 ASP HA H 4.439 0.020 1 1589 661 147 ASP HB2 H 2.639 0.020 1 1590 661 147 ASP HB3 H 2.639 0.020 1 1591 661 147 ASP C C 176.570 0.3 1 1592 661 147 ASP CA C 54.823 0.3 1 1593 661 147 ASP CB C 40.779 0.3 1 1594 661 147 ASP N N 119.293 0.3 1 1595 662 148 ARG H H 7.951 0.020 1 1596 662 148 ARG HA H 4.200 0.020 1 1597 662 148 ARG HB2 H 1.753 0.020 2 1598 662 148 ARG HB3 H 1.710 0.020 2 1599 662 148 ARG HG2 H 1.545 0.020 1 1600 662 148 ARG HG3 H 1.545 0.020 1 1601 662 148 ARG HD2 H 3.113 0.020 1 1602 662 148 ARG HD3 H 3.113 0.020 1 1603 662 148 ARG C C 176.942 0.3 1 1604 662 148 ARG CA C 56.609 0.3 1 1605 662 148 ARG CB C 30.592 0.3 1 1606 662 148 ARG CG C 27.013 0.3 1 1607 662 148 ARG CD C 43.153 0.3 1 1608 662 148 ARG N N 119.494 0.3 1 1609 663 149 ILE H H 7.923 0.020 1 1610 663 149 ILE HA H 3.890 0.020 1 1611 663 149 ILE HB H 1.854 0.020 1 1612 663 149 ILE HG12 H 1.468 0.020 2 1613 663 149 ILE HG13 H 1.149 0.020 2 1614 663 149 ILE HG2 H 0.841 0.020 1 1615 663 149 ILE HD1 H 0.778 0.020 1 1616 663 149 ILE C C 176.969 0.3 1 1617 663 149 ILE CA C 62.364 0.3 1 1618 663 149 ILE CB C 38.204 0.3 1 1619 663 149 ILE CG1 C 27.700 0.3 1 1620 663 149 ILE CG2 C 17.275 0.3 1 1621 663 149 ILE CD1 C 12.974 0.3 1 1622 663 149 ILE N N 119.880 0.3 1 1623 664 150 GLY H H 8.321 0.020 1 1624 664 150 GLY HA2 H 3.880 0.020 2 1625 664 150 GLY HA3 H 4.018 0.020 2 1626 664 150 GLY C C 177.070 0.3 1 1627 664 150 GLY CA C 45.382 0.3 1 1628 664 150 GLY N N 111.580 0.3 1 1629 665 151 LYS H H 8.018 0.020 1 1630 665 151 LYS HA H 4.213 0.020 1 1631 665 151 LYS HB2 H 1.773 0.020 2 1632 665 151 LYS HB3 H 1.690 0.020 2 1633 665 151 LYS HG2 H 1.355 0.020 1 1634 665 151 LYS HG3 H 1.355 0.020 1 1635 665 151 LYS HD2 H 1.605 0.020 1 1636 665 151 LYS HD3 H 1.605 0.020 1 1637 665 151 LYS HE2 H 2.923 0.020 1 1638 665 151 LYS HE3 H 2.923 0.020 1 1639 665 151 LYS CA C 56.225 0.3 1 1640 665 151 LYS CB C 32.872 0.3 1 1641 665 151 LYS CG C 24.533 0.3 1 1642 665 151 LYS CD C 28.924 0.3 1 1643 665 151 LYS CE C 42.096 0.3 1 1644 665 151 LYS N N 120.619 0.3 1 1645 668 154 SER HA H 4.379 0.020 1 1646 668 154 SER HB2 H 3.780 0.020 1 1647 668 154 SER HB3 H 3.780 0.020 1 1648 668 154 SER C C 174.381 0.3 1 1649 668 154 SER CA C 58.484 0.3 1 1650 668 154 SER CB C 63.729 0.3 1 1651 669 155 ILE H H 8.006 0.020 1 1652 669 155 ILE HA H 4.036 0.020 1 1653 669 155 ILE HB H 1.786 0.020 1 1654 669 155 ILE HG12 H 1.374 0.020 2 1655 669 155 ILE HG13 H 1.095 0.020 2 1656 669 155 ILE HG2 H 0.791 0.020 1 1657 669 155 ILE HD1 H 0.775 0.020 1 1658 669 155 ILE C C 175.697 0.3 1 1659 669 155 ILE CA C 61.267 0.3 1 1660 669 155 ILE CB C 38.546 0.3 1 1661 669 155 ILE CG1 C 27.362 0.3 1 1662 669 155 ILE CG2 C 17.335 0.3 1 1663 669 155 ILE CD1 C 12.899 0.3 1 1664 669 155 ILE N N 121.819 0.3 1 1665 670 156 LEU H H 8.080 0.020 1 1666 670 156 LEU HA H 4.279 0.020 1 1667 670 156 LEU HB2 H 1.508 0.020 1 1668 670 156 LEU HB3 H 1.508 0.020 1 1669 670 156 LEU HG H 1.494 0.020 1 1670 670 156 LEU HD1 H 0.832 0.020 1 1671 670 156 LEU HD2 H 0.772 0.020 1 1672 670 156 LEU C C 176.637 0.3 1 1673 670 156 LEU CA C 54.796 0.3 1 1674 670 156 LEU CB C 42.171 0.3 1 1675 670 156 LEU CG C 26.741 0.3 1 1676 670 156 LEU CD1 C 24.699 0.3 1 1677 670 156 LEU CD2 C 23.369 0.3 1 1678 670 156 LEU N N 125.009 0.3 1 1679 671 157 LEU H H 8.056 0.020 1 1680 671 157 LEU HA H 4.240 0.020 1 1681 671 157 LEU HB2 H 1.506 0.020 1 1682 671 157 LEU HB3 H 1.506 0.020 1 1683 671 157 LEU HG H 1.522 0.020 1 1684 671 157 LEU HD1 H 0.833 0.020 1 1685 671 157 LEU HD2 H 0.775 0.020 1 1686 671 157 LEU C C 175.956 0.3 1 1687 671 157 LEU CA C 54.915 0.3 1 1688 671 157 LEU CB C 42.323 0.3 1 1689 671 157 LEU CG C 26.783 0.3 1 1690 671 157 LEU CD1 C 24.794 0.3 1 1691 671 157 LEU CD2 C 23.360 0.3 1 1692 671 157 LEU N N 123.187 0.3 1 1693 672 158 HIS H H 7.710 0.020 1 1694 672 158 HIS HA H 4.335 0.020 1 1695 672 158 HIS HB2 H 3.121 0.020 2 1696 672 158 HIS HB3 H 2.969 0.020 2 1697 672 158 HIS HD2 H 7.021 0.020 1 1698 672 158 HIS CA C 57.059 0.3 1 1699 672 158 HIS CB C 30.671 0.3 1 1700 672 158 HIS N N 123.950 0.3 1 stop_ save_