data_18604 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of CCP modules 10-11 of complement factor H ; _BMRB_accession_number 18604 _BMRB_flat_file_name bmr18604.str _Entry_type original _Submission_date 2012-07-20 _Accession_date 2012-07-20 _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 Makou Elisavet . . 2 Mertens H. D.T. . 3 Maciejewski M. . . 4 Soares D. C. . 5 Matis I. . . 6 Schmidt C. Q. . 7 Herbert A. P. . 8 Svergun D. I. . 9 Barlow P. N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 758 "13C chemical shifts" 568 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-19 update BMRB 'update entry citation' 2012-10-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of CCP modules 10-12 illuminates functional architecture of the complement regulator, factor H.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23017427 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Makou Elisavet . . 2 Mertens Haydyn D.T. . 3 Maciejewski Mateusz . . 4 Soares Dinesh C. . 5 Matis Ilias . . 6 Schmidt Christoph Q. . 7 Herbert Andrew P. . 8 Svergun Dmitri I. . 9 Barlow Paul N. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 424 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 295 _Page_last 312 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Solution structure of CCP modules 10-11 of complement factor H' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'COMPLEMENT FACTOR H' $COMPLEMENT_FACTOR_H stop_ _System_molecular_weight 14159.1579 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_COMPLEMENT_FACTOR_H _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common COMPLEMENT_FACTOR_H _Molecular_mass 14159.1579 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; EAAGERECELPKIDVHLVPD RKKDQYKVGEVLKFSCKPGF TIVGPNSVQCYHFGLSPDLP ICKEQVQSCGPPPELLNGNV KEKTKEEYGHSEVVEYYCNP RFLMKGPNKIQCVDGEWTTL PVCIVE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 562 GLU 2 563 ALA 3 564 ALA 4 565 GLY 5 566 GLU 6 567 ARG 7 568 GLU 8 569 CYS 9 570 GLU 10 571 LEU 11 572 PRO 12 573 LYS 13 574 ILE 14 575 ASP 15 576 VAL 16 577 HIS 17 578 LEU 18 579 VAL 19 580 PRO 20 581 ASP 21 582 ARG 22 583 LYS 23 584 LYS 24 585 ASP 25 586 GLN 26 587 TYR 27 588 LYS 28 589 VAL 29 590 GLY 30 591 GLU 31 592 VAL 32 593 LEU 33 594 LYS 34 595 PHE 35 596 SER 36 597 CYS 37 598 LYS 38 599 PRO 39 600 GLY 40 601 PHE 41 602 THR 42 603 ILE 43 604 VAL 44 605 GLY 45 606 PRO 46 607 ASN 47 608 SER 48 609 VAL 49 610 GLN 50 611 CYS 51 612 TYR 52 613 HIS 53 614 PHE 54 615 GLY 55 616 LEU 56 617 SER 57 618 PRO 58 619 ASP 59 620 LEU 60 621 PRO 61 622 ILE 62 623 CYS 63 624 LYS 64 625 GLU 65 626 GLN 66 627 VAL 67 628 GLN 68 629 SER 69 630 CYS 70 631 GLY 71 632 PRO 72 633 PRO 73 634 PRO 74 635 GLU 75 636 LEU 76 637 LEU 77 638 ASN 78 639 GLY 79 640 ASN 80 641 VAL 81 642 LYS 82 643 GLU 83 644 LYS 84 645 THR 85 646 LYS 86 647 GLU 87 648 GLU 88 649 TYR 89 650 GLY 90 651 HIS 91 652 SER 92 653 GLU 93 654 VAL 94 655 VAL 95 656 GLU 96 657 TYR 97 658 TYR 98 659 CYS 99 660 ASN 100 661 PRO 101 662 ARG 102 663 PHE 103 664 LEU 104 665 MET 105 666 LYS 106 667 GLY 107 668 PRO 108 669 ASN 109 670 LYS 110 671 ILE 111 672 GLN 112 673 CYS 113 674 VAL 114 675 ASP 115 676 GLY 116 677 GLU 117 678 TRP 118 679 THR 119 680 THR 120 681 LEU 121 682 PRO 122 683 VAL 123 684 CYS 124 685 ILE 125 686 VAL 126 687 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-11-05 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 4B2R "Solution Structure Of Ccp Modules 10-11 Of Complement Factor H" 100.00 126 100.00 100.00 1.18e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $COMPLEMENT_FACTOR_H 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 $COMPLEMENT_FACTOR_H 'recombinant technology' 'Pichia pastoris' Pichia pastoris KM71H pPICZaB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'FH10-11 0.000400 M' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $COMPLEMENT_FACTOR_H 0.4 mM '[U-13C; U-15N]' 'potassium phosphate buffer' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'FH10-11 0.000540 M' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $COMPLEMENT_FACTOR_H 0.54 mM '[U-13C; U-15N]' 'potassium phosphate buffer' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'FH10-11 0.000150 M' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $COMPLEMENT_FACTOR_H 0.15 mM '[U-13C; U-15N]' 'potassium phosphate buffer' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'FH10-11 0.000500 M' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $COMPLEMENT_FACTOR_H 0.5 mM '[U-13C; U-15N]' 'potassium phosphate buffer' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version 2.0 loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task collection stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'The structure was refined in explicit water in CNS. Refinement details can be found in the JRNL citation above.' save_ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.0 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Molmol_2K. _Saveframe_category software _Name Molmol_2K. _Version 2 loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version 3.4.3 loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_CbCANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CbCANH _Sample_label $sample_1 save_ save_CbCaCONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CbCaCONH _Sample_label $sample_1 save_ save_HNCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_1 save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HbHaCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HbHaCONH _Sample_label $sample_1 save_ save_15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label $sample_2 save_ save_c_cconh_7 _Saveframe_category NMR_applied_experiment _Experiment_name c_cconh _Sample_label $sample_3 save_ save_h_cconh_8 _Saveframe_category NMR_applied_experiment _Experiment_name h_cconh _Sample_label $sample_3 save_ save_hcch_tocsy_9 _Saveframe_category NMR_applied_experiment _Experiment_name hcch_tocsy _Sample_label $sample_3 save_ save_HSQC_CH_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'HSQC CH' _Sample_label $sample_3 save_ save_15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_NOESY _Sample_label $sample_4 save_ save_CH_AROM_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name CH_AROM_HSQC _Sample_label $sample_4 save_ save_HB_HD_13 _Saveframe_category NMR_applied_experiment _Experiment_name HB_HD _Sample_label $sample_4 save_ save_HB_HE_14 _Saveframe_category NMR_applied_experiment _Experiment_name HB_HE _Sample_label $sample_4 save_ save_13C_NOESY_D2O_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C_NOESY D2O' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.7], temp [298.0], pressure [1.0], ionStrength [0.02]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.020 . mM pH 6.700 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal indirect . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 external 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 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4b2r/ebi/EBI-53341.csh' loop_ _Experiment_label CbCANH CbCaCONH HNCACO HNCO HbHaCONH '15N HSQC' c_cconh h_cconh hcch_tocsy 'HSQC CH' 15N_NOESY CH_AROM_HSQC HB_HD HB_HE '13C_NOESY D2O' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'COMPLEMENT FACTOR H' _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 1 562 1 GLU HA H 4.205 0.008 1 2 562 1 GLU HB2 H 1.931 0.003 2 3 562 1 GLU HB3 H 2.009 0.001 2 4 562 1 GLU HG2 H 2.275 0.003 1 5 562 1 GLU HG3 H 2.275 0.003 1 6 562 1 GLU C C 176.341 0.05 1 7 562 1 GLU CA C 56.761 0.035 1 8 562 1 GLU CB C 30.200 0.032 1 9 562 1 GLU CG C 36.227 0.05 1 10 562 1 GLU N N 120.999 0.008 1 11 563 2 ALA H H 8.387 0.003 1 12 563 2 ALA HA H 4.287 0.003 1 13 563 2 ALA HB H 1.351 0.005 1 14 563 2 ALA C C 177.408 0.05 1 15 563 2 ALA CA C 52.441 0.052 1 16 563 2 ALA CB C 19.216 0.094 1 17 563 2 ALA N N 125.626 0.052 1 18 564 3 ALA H H 8.316 0.001 1 19 564 3 ALA HA H 4.304 0.007 1 20 564 3 ALA HB H 1.377 0.008 1 21 564 3 ALA C C 178.238 0.05 1 22 564 3 ALA CA C 52.760 0.037 1 23 564 3 ALA CB C 19.220 0.057 1 24 564 3 ALA N N 123.829 0.029 1 25 565 4 GLY H H 8.378 0.001 1 26 565 4 GLY HA2 H 3.942 0.005 2 27 565 4 GLY HA3 H 4.004 0.001 2 28 565 4 GLY C C 173.962 0.05 1 29 565 4 GLY CA C 45.278 0.045 1 30 565 4 GLY N N 108.336 0.039 1 31 566 5 GLU H H 8.586 0.001 1 32 566 5 GLU HA H 4.297 0.002 1 33 566 5 GLU HB2 H 2.026 0.002 1 34 566 5 GLU HB3 H 2.026 0.002 1 35 566 5 GLU HG2 H 2.251 0.01 1 36 566 5 GLU HG3 H 2.251 0.01 1 37 566 5 GLU C C 176.492 0.05 1 38 566 5 GLU CA C 57.135 0.018 1 39 566 5 GLU CB C 30.082 0.09 1 40 566 5 GLU CG C 36.433 0.053 1 41 566 5 GLU N N 120.795 0.002 1 42 567 6 ARG H H 8.566 0.002 1 43 567 6 ARG HA H 4.303 0.001 1 44 567 6 ARG HB2 H 1.789 0.001 2 45 567 6 ARG HB3 H 1.881 0.001 2 46 567 6 ARG HG2 H 1.308 0.002 2 47 567 6 ARG HG3 H 1.434 0.001 2 48 567 6 ARG HD2 H 2.980 0.009 1 49 567 6 ARG HD3 H 2.980 0.009 1 50 567 6 ARG C C 173.959 0.05 1 51 567 6 ARG CA C 56.133 0.014 1 52 567 6 ARG CB C 30.491 0.013 1 53 567 6 ARG CG C 24.877 0.038 1 54 567 6 ARG CD C 42.398 0.05 1 55 567 6 ARG N N 121.996 0.014 1 56 568 7 GLU H H 8.214 0.012 1 57 568 7 GLU HA H 4.708 0.003 1 58 568 7 GLU HB2 H 1.766 0.001 2 59 568 7 GLU HB3 H 2.027 0.001 2 60 568 7 GLU HG2 H 2.131 0.029 1 61 568 7 GLU HG3 H 2.131 0.029 1 62 568 7 GLU C C 176.887 0.05 1 63 568 7 GLU CA C 55.761 0.076 1 64 568 7 GLU CB C 32.247 0.084 1 65 568 7 GLU CG C 36.833 0.06 1 66 568 7 GLU N N 120.648 0.035 1 67 569 8 CYS H H 9.391 0.002 1 68 569 8 CYS HA H 4.752 0.003 1 69 569 8 CYS HB2 H 2.734 0.007 2 70 569 8 CYS HB3 H 3.161 0.004 2 71 569 8 CYS C C 173.863 0.05 1 72 569 8 CYS CA C 56.924 0.127 1 73 569 8 CYS CB C 44.544 0.068 1 74 569 8 CYS N N 117.305 0.053 1 75 570 9 GLU H H 8.588 0.003 1 76 570 9 GLU HA H 4.718 0.002 1 77 570 9 GLU HB2 H 1.939 0.001 2 78 570 9 GLU HB3 H 2.061 0.001 2 79 570 9 GLU HG2 H 2.240 0.001 2 80 570 9 GLU HG3 H 2.309 0.008 2 81 570 9 GLU C C 175.697 0.05 1 82 570 9 GLU CA C 55.212 0.086 1 83 570 9 GLU CB C 31.956 0.024 1 84 570 9 GLU CG C 36.298 0.062 1 85 570 9 GLU N N 122.959 0.036 1 86 571 10 LEU H H 8.650 0.003 1 87 571 10 LEU HA H 4.532 0.003 1 88 571 10 LEU HB2 H 1.903 0.005 2 89 571 10 LEU HB3 H 1.767 0.002 2 90 571 10 LEU HG H 1.988 0.002 1 91 571 10 LEU HD1 H 1.015 0.003 2 92 571 10 LEU HD2 H 1.069 0.002 2 93 571 10 LEU C C 175.356 0.05 1 94 571 10 LEU CA C 53.098 0.052 1 95 571 10 LEU CB C 42.471 0.097 1 96 571 10 LEU CG C 26.712 0.047 1 97 571 10 LEU CD1 C 25.338 0.043 2 98 571 10 LEU CD2 C 24.992 0.032 2 99 571 10 LEU N N 125.338 0.05 1 100 572 11 PRO HA H 4.698 0.003 1 101 572 11 PRO HB2 H 2.061 0.007 2 102 572 11 PRO HB3 H 2.243 0.003 2 103 572 11 PRO HG2 H 1.855 0.01 2 104 572 11 PRO HG3 H 1.749 0.01 2 105 572 11 PRO HD2 H 3.933 0.003 2 106 572 11 PRO HD3 H 3.365 0.002 2 107 572 11 PRO C C 174.742 0.05 1 108 572 11 PRO CA C 62.191 0.097 1 109 572 11 PRO CB C 32.206 0.071 1 110 572 11 PRO CG C 27.167 0.025 1 111 572 11 PRO CD C 49.805 0.042 1 112 573 12 LYS H H 8.078 0.002 1 113 573 12 LYS HA H 4.197 0.004 1 114 573 12 LYS HB2 H 1.659 0.002 2 115 573 12 LYS HB3 H 1.708 0.002 2 116 573 12 LYS HG2 H 1.330 0.004 1 117 573 12 LYS HG3 H 1.330 0.004 1 118 573 12 LYS HD2 H 1.461 0.004 1 119 573 12 LYS HD3 H 1.461 0.004 1 120 573 12 LYS HE2 H 2.969 0.007 1 121 573 12 LYS HE3 H 2.969 0.007 1 122 573 12 LYS C C 176.773 0.05 1 123 573 12 LYS CA C 57.360 0.104 1 124 573 12 LYS CB C 31.449 0.078 1 125 573 12 LYS CG C 24.764 0.006 1 126 573 12 LYS CD C 29.555 0.015 1 127 573 12 LYS CE C 41.818 0.013 1 128 573 12 LYS N N 118.655 0.044 1 129 574 13 ILE H H 7.711 0.001 1 130 574 13 ILE HA H 4.437 0.004 1 131 574 13 ILE HB H 1.953 0.007 1 132 574 13 ILE HG12 H 1.187 0.008 2 133 574 13 ILE HG13 H 1.425 0.001 2 134 574 13 ILE HG2 H 0.841 0.003 1 135 574 13 ILE HD1 H 0.861 0.007 1 136 574 13 ILE C C 175.581 0.05 1 137 574 13 ILE CA C 59.647 0.119 1 138 574 13 ILE CB C 41.326 0.042 1 139 574 13 ILE CG1 C 26.532 0.072 1 140 574 13 ILE CG2 C 18.128 0.031 1 141 574 13 ILE CD1 C 13.855 0.062 1 142 574 13 ILE N N 119.802 0.042 1 143 575 14 ASP H H 8.518 0.002 1 144 575 14 ASP HA H 4.306 0.004 1 145 575 14 ASP HB2 H 2.586 0.006 2 146 575 14 ASP HB3 H 2.646 0.003 2 147 575 14 ASP C C 177.758 0.05 1 148 575 14 ASP CA C 54.802 0.07 1 149 575 14 ASP CB C 43.158 0.059 1 150 575 14 ASP N N 123.829 0.026 1 151 576 15 VAL H H 8.081 0.002 1 152 576 15 VAL HA H 3.902 0.006 1 153 576 15 VAL HB H 1.997 0.004 1 154 576 15 VAL HG1 H 0.415 0.002 2 155 576 15 VAL HG2 H 0.642 0.007 2 156 576 15 VAL C C 176.584 0.05 1 157 576 15 VAL CA C 63.869 0.086 1 158 576 15 VAL CB C 31.414 0.057 1 159 576 15 VAL CG1 C 18.625 0.025 2 160 576 15 VAL CG2 C 20.043 0.034 2 161 576 15 VAL N N 122.307 0.036 1 162 577 16 HIS H H 9.047 0.003 1 163 577 16 HIS HA H 4.331 0.009 1 164 577 16 HIS HB2 H 2.275 0.013 2 165 577 16 HIS HB3 H 2.415 0.005 2 166 577 16 HIS HD2 H 6.685 0.009 1 167 577 16 HIS HE1 H 8.064 0.015 1 168 577 16 HIS C C 172.463 0.05 1 169 577 16 HIS CA C 56.227 0.061 1 170 577 16 HIS CB C 28.206 0.051 1 171 577 16 HIS CD2 C 120.329 0.066 1 172 577 16 HIS CE1 C 136.186 0.02 1 173 577 16 HIS N N 118.266 0.027 1 174 578 17 LEU H H 7.658 0.001 1 175 578 17 LEU HA H 4.547 0.002 1 176 578 17 LEU HB2 H 1.449 0.003 2 177 578 17 LEU HB3 H 1.792 0.004 2 178 578 17 LEU HG H 1.399 0.008 1 179 578 17 LEU HD1 H 0.577 0.003 2 180 578 17 LEU HD2 H 0.414 0.004 2 181 578 17 LEU C C 176.107 0.05 1 182 578 17 LEU CA C 54.959 0.067 1 183 578 17 LEU CB C 44.638 0.064 1 184 578 17 LEU CG C 27.421 0.024 1 185 578 17 LEU CD1 C 25.162 0.03 2 186 578 17 LEU CD2 C 25.713 0.029 2 187 578 17 LEU N N 122.762 0.053 1 188 579 18 VAL H H 9.194 0.003 1 189 579 18 VAL HA H 4.551 0.005 1 190 579 18 VAL HB H 2.046 0.004 1 191 579 18 VAL HG1 H 0.797 0.008 2 192 579 18 VAL HG2 H 0.901 0.006 2 193 579 18 VAL C C 175.210 0.05 1 194 579 18 VAL CA C 59.447 0.053 1 195 579 18 VAL CB C 33.469 0.011 1 196 579 18 VAL CG1 C 20.587 0.064 2 197 579 18 VAL CG2 C 20.992 0.094 2 198 579 18 VAL N N 124.718 0.046 1 199 580 19 PRO HA H 4.799 0.004 1 200 580 19 PRO HB2 H 1.824 0.004 2 201 580 19 PRO HB3 H 2.015 0.006 2 202 580 19 PRO HG2 H 2.042 0.013 2 203 580 19 PRO HG3 H 1.940 0.006 2 204 580 19 PRO HD2 H 3.612 0.001 2 205 580 19 PRO HD3 H 3.854 0.002 2 206 580 19 PRO C C 176.376 0.05 1 207 580 19 PRO CA C 61.542 0.052 1 208 580 19 PRO CB C 31.720 0.062 1 209 580 19 PRO CG C 27.298 0.069 1 210 580 19 PRO CD C 50.955 0.008 1 211 581 20 ASP H H 8.949 0.003 1 212 581 20 ASP HA H 4.088 0.005 1 213 581 20 ASP HB2 H 2.565 0.012 2 214 581 20 ASP HB3 H 2.646 0.017 2 215 581 20 ASP C C 176.531 0.05 1 216 581 20 ASP CA C 56.367 0.076 1 217 581 20 ASP CB C 39.951 0.088 1 218 581 20 ASP N N 123.409 0.042 1 219 582 21 ARG H H 7.483 0.003 1 220 582 21 ARG HA H 4.442 0.001 1 221 582 21 ARG HB2 H 1.783 0.005 2 222 582 21 ARG HB3 H 1.868 0.002 2 223 582 21 ARG HG2 H 1.674 0.007 2 224 582 21 ARG HG3 H 1.567 0.008 2 225 582 21 ARG HD2 H 3.236 0.016 2 226 582 21 ARG HD3 H 3.192 0.004 2 227 582 21 ARG C C 174.675 0.05 1 228 582 21 ARG CA C 54.844 0.034 1 229 582 21 ARG CB C 31.581 0.061 1 230 582 21 ARG CG C 26.916 0.056 1 231 582 21 ARG CD C 43.417 0.081 1 232 582 21 ARG N N 117.454 0.053 1 233 583 22 LYS H H 8.925 0.003 1 234 583 22 LYS HA H 4.227 0.004 1 235 583 22 LYS HB2 H 1.591 0.003 2 236 583 22 LYS HB3 H 1.876 0.002 2 237 583 22 LYS HG2 H 1.305 0.007 1 238 583 22 LYS HG3 H 1.305 0.007 1 239 583 22 LYS HD2 H 1.651 0.009 1 240 583 22 LYS HD3 H 1.651 0.009 1 241 583 22 LYS HE2 H 2.946 0.002 2 242 583 22 LYS HE3 H 3.011 0.006 2 243 583 22 LYS C C 174.401 0.05 1 244 583 22 LYS CA C 56.516 0.08 1 245 583 22 LYS CB C 32.544 0.107 1 246 583 22 LYS CG C 25.008 0.094 1 247 583 22 LYS CD C 29.008 0.04 1 248 583 22 LYS CE C 42.237 0.011 1 249 583 22 LYS N N 127.082 0.022 1 250 584 23 LYS H H 7.873 0.005 1 251 584 23 LYS HA H 4.445 0.003 1 252 584 23 LYS HB2 H 0.700 0.002 2 253 584 23 LYS HB3 H 1.550 0.005 2 254 584 23 LYS HG2 H 0.862 0.007 2 255 584 23 LYS HG3 H 1.145 0.004 2 256 584 23 LYS HD2 H 1.502 0.001 1 257 584 23 LYS HD3 H 1.502 0.001 1 258 584 23 LYS HE2 H 2.710 0.008 2 259 584 23 LYS HE3 H 2.759 0.008 2 260 584 23 LYS C C 174.860 0.05 1 261 584 23 LYS CA C 54.717 0.064 1 262 584 23 LYS CB C 35.513 0.091 1 263 584 23 LYS CG C 24.726 0.045 1 264 584 23 LYS CD C 29.636 0.028 1 265 584 23 LYS CE C 41.587 0.027 1 266 584 23 LYS N N 125.272 0.023 1 267 585 24 ASP H H 8.354 0.003 1 268 585 24 ASP HA H 4.459 0.003 1 269 585 24 ASP HB2 H 2.511 0.003 2 270 585 24 ASP HB3 H 2.702 0.006 2 271 585 24 ASP C C 176.341 0.05 1 272 585 24 ASP CA C 56.341 0.062 1 273 585 24 ASP CB C 40.667 0.086 1 274 585 24 ASP N N 118.549 0.049 1 275 586 25 GLN H H 7.140 0.002 1 276 586 25 GLN HA H 4.852 0.005 1 277 586 25 GLN HB2 H 1.715 0.006 2 278 586 25 GLN HB3 H 1.944 0.004 2 279 586 25 GLN HG2 H 2.190 0.003 2 280 586 25 GLN HG3 H 2.144 0.005 2 281 586 25 GLN HE21 H 6.703 0.003 1 282 586 25 GLN HE22 H 7.547 0.002 1 283 586 25 GLN C C 173.563 0.05 1 284 586 25 GLN CA C 54.811 0.034 1 285 586 25 GLN CB C 31.852 0.042 1 286 586 25 GLN CG C 33.412 0.072 1 287 586 25 GLN CD C 180.200 0.011 1 288 586 25 GLN N N 114.309 0.047 1 289 586 25 GLN NE2 N 111.544 0.045 1 290 587 26 TYR H H 8.786 0.004 1 291 587 26 TYR HA H 4.433 0.003 1 292 587 26 TYR HB2 H 2.425 0.004 2 293 587 26 TYR HB3 H 2.778 0.006 2 294 587 26 TYR HD1 H 6.893 0.003 3 295 587 26 TYR HD2 H 6.893 0.003 3 296 587 26 TYR HE1 H 6.682 0.003 3 297 587 26 TYR HE2 H 6.682 0.003 3 298 587 26 TYR C C 174.120 0.05 1 299 587 26 TYR CA C 56.834 0.119 1 300 587 26 TYR CB C 41.014 0.1 1 301 587 26 TYR CD1 C 132.554 0.093 3 302 587 26 TYR CD2 C 132.554 0.093 3 303 587 26 TYR CE1 C 118.594 0.05 3 304 587 26 TYR CE2 C 118.594 0.05 3 305 587 26 TYR N N 120.211 0.045 1 306 588 27 LYS H H 9.257 0.003 1 307 588 27 LYS HA H 4.459 0.003 1 308 588 27 LYS HB2 H 1.680 0.005 2 309 588 27 LYS HB3 H 1.829 0.005 2 310 588 27 LYS C C 177.589 0.05 1 311 588 27 LYS CA C 55.115 0.022 1 312 588 27 LYS CB C 33.513 0.077 1 313 588 27 LYS N N 121.484 0.044 1 314 589 28 VAL H H 8.306 0.005 1 315 589 28 VAL HA H 3.272 0.001 1 316 589 28 VAL HB H 1.774 0.003 1 317 589 28 VAL HG1 H 0.746 0.004 2 318 589 28 VAL HG2 H 0.733 0.009 2 319 589 28 VAL C C 177.646 0.05 1 320 589 28 VAL CA C 65.317 0.068 1 321 589 28 VAL CB C 30.825 0.09 1 322 589 28 VAL CG1 C 21.411 0.07 2 323 589 28 VAL CG2 C 22.479 0.077 2 324 589 28 VAL N N 121.301 0.046 1 325 590 29 GLY H H 8.838 0.003 1 326 590 29 GLY HA2 H 3.491 0.006 2 327 590 29 GLY HA3 H 4.342 0.008 2 328 590 29 GLY C C 174.652 0.05 1 329 590 29 GLY CA C 44.320 0.105 1 330 590 29 GLY N N 117.098 0.044 1 331 591 30 GLU H H 8.144 0.002 1 332 591 30 GLU HA H 4.148 0.003 1 333 591 30 GLU HB2 H 2.001 0.004 2 334 591 30 GLU HB3 H 2.194 0.009 2 335 591 30 GLU HG2 H 2.161 0.005 2 336 591 30 GLU HG3 H 2.516 0.008 2 337 591 30 GLU C C 174.787 0.05 1 338 591 30 GLU CA C 58.680 0.1 1 339 591 30 GLU CB C 31.238 0.092 1 340 591 30 GLU CG C 38.847 0.042 1 341 591 30 GLU N N 120.536 0.052 1 342 592 31 VAL H H 8.277 0.002 1 343 592 31 VAL HA H 4.376 0.003 1 344 592 31 VAL HB H 1.798 0.004 1 345 592 31 VAL HG1 H 0.847 0.005 2 346 592 31 VAL HG2 H 0.793 0.003 2 347 592 31 VAL C C 175.216 0.05 1 348 592 31 VAL CA C 61.383 0.074 1 349 592 31 VAL CB C 33.778 0.027 1 350 592 31 VAL CG1 C 21.330 0.025 2 351 592 31 VAL CG2 C 20.891 0.054 2 352 592 31 VAL N N 121.347 0.028 1 353 593 32 LEU H H 9.091 0.003 1 354 593 32 LEU HA H 4.362 0.003 1 355 593 32 LEU HB2 H 0.951 0.003 2 356 593 32 LEU HB3 H 1.005 0.005 2 357 593 32 LEU HG H 0.894 0.004 1 358 593 32 LEU HD1 H 0.242 0.002 2 359 593 32 LEU HD2 H 0.183 0.002 2 360 593 32 LEU C C 174.042 0.05 1 361 593 32 LEU CA C 55.189 0.09 1 362 593 32 LEU CB C 44.462 0.034 1 363 593 32 LEU CG C 29.072 0.093 1 364 593 32 LEU N N 131.599 0.044 1 365 594 33 LYS H H 7.801 0.002 1 366 594 33 LYS HA H 4.918 0.003 1 367 594 33 LYS HB2 H 1.774 0.004 2 368 594 33 LYS HB3 H 1.420 0.002 2 369 594 33 LYS HG2 H 1.353 0.009 2 370 594 33 LYS HG3 H 1.270 0.008 2 371 594 33 LYS HD2 H 1.604 0.007 1 372 594 33 LYS HD3 H 1.604 0.007 1 373 594 33 LYS HE2 H 2.891 0.005 1 374 594 33 LYS HE3 H 2.891 0.005 1 375 594 33 LYS C C 175.452 0.05 1 376 594 33 LYS CA C 54.500 0.101 1 377 594 33 LYS CB C 34.507 0.088 1 378 594 33 LYS CG C 25.294 0.032 1 379 594 33 LYS CD C 29.035 0.027 1 380 594 33 LYS CE C 41.779 0.034 1 381 594 33 LYS N N 121.398 0.042 1 382 595 34 PHE H H 8.318 0.004 1 383 595 34 PHE HA H 5.306 0.006 1 384 595 34 PHE HB2 H 2.419 0.008 2 385 595 34 PHE HB3 H 2.943 0.005 2 386 595 34 PHE HE1 H 6.980 0.006 3 387 595 34 PHE HE2 H 6.980 0.006 3 388 595 34 PHE C C 175.056 0.05 1 389 595 34 PHE CA C 57.103 0.078 1 390 595 34 PHE CB C 45.267 0.064 1 391 595 34 PHE CE1 C 129.990 0.063 3 392 595 34 PHE CE2 C 129.990 0.063 3 393 595 34 PHE N N 116.469 0.04 1 394 596 35 SER H H 8.226 0.003 1 395 596 35 SER HA H 4.576 0.004 1 396 596 35 SER HB2 H 3.919 0.005 1 397 596 35 SER HB3 H 3.919 0.005 1 398 596 35 SER C C 172.675 0.05 1 399 596 35 SER CA C 57.156 0.051 1 400 596 35 SER CB C 65.940 0.079 1 401 596 35 SER N N 113.307 0.043 1 402 597 36 CYS H H 8.822 0.003 1 403 597 36 CYS HA H 5.589 0.005 1 404 597 36 CYS HB2 H 2.711 0.006 2 405 597 36 CYS HB3 H 2.882 0.01 2 406 597 36 CYS C C 175.243 0.05 1 407 597 36 CYS CA C 55.495 0.082 1 408 597 36 CYS CB C 46.380 0.082 1 409 597 36 CYS N N 116.474 0.048 1 410 598 37 LYS H H 8.598 0.002 1 411 598 37 LYS HA H 4.323 0.007 1 412 598 37 LYS HB2 H 2.101 0.005 2 413 598 37 LYS HB3 H 1.565 0.005 2 414 598 37 LYS HG2 H 1.534 0.003 2 415 598 37 LYS HG3 H 1.698 0.004 2 416 598 37 LYS HD2 H 1.782 0.005 2 417 598 37 LYS HD3 H 1.885 0.005 2 418 598 37 LYS C C 172.097 0.05 1 419 598 37 LYS CA C 56.087 0.082 1 420 598 37 LYS CB C 32.311 0.059 1 421 598 37 LYS CG C 26.058 0.063 1 422 598 37 LYS CD C 27.169 0.05 1 423 598 37 LYS N N 122.457 0.033 1 424 599 38 PRO HA H 4.403 0.005 1 425 599 38 PRO HB2 H 1.867 0.011 2 426 599 38 PRO HB3 H 2.359 0.005 2 427 599 38 PRO HG2 H 2.164 0.002 2 428 599 38 PRO HG3 H 2.070 0.003 2 429 599 38 PRO HD2 H 3.607 0.007 2 430 599 38 PRO HD3 H 3.890 0.005 2 431 599 38 PRO C C 177.136 0.05 1 432 599 38 PRO CA C 64.488 0.062 1 433 599 38 PRO CB C 31.743 0.065 1 434 599 38 PRO CG C 27.886 0.045 1 435 599 38 PRO CD C 50.350 0.05 1 436 600 39 GLY H H 8.743 0.002 1 437 600 39 GLY HA2 H 3.406 0.007 2 438 600 39 GLY HA3 H 4.137 0.006 2 439 600 39 GLY C C 173.524 0.05 1 440 600 39 GLY CA C 44.428 0.111 1 441 600 39 GLY N N 111.436 0.043 1 442 601 40 PHE H H 8.035 0.001 1 443 601 40 PHE HA H 4.734 0.007 1 444 601 40 PHE HB2 H 3.202 0.015 2 445 601 40 PHE HB3 H 2.481 0.005 2 446 601 40 PHE HD1 H 6.623 0.013 3 447 601 40 PHE HD2 H 6.623 0.013 3 448 601 40 PHE HE1 H 6.896 0.002 3 449 601 40 PHE HE2 H 6.896 0.002 3 450 601 40 PHE C C 174.365 0.05 1 451 601 40 PHE CA C 56.820 0.08 1 452 601 40 PHE CB C 42.445 0.086 1 453 601 40 PHE CD1 C 130.627 0.054 3 454 601 40 PHE CD2 C 130.627 0.054 3 455 601 40 PHE CE1 C 130.851 0.103 3 456 601 40 PHE CE2 C 130.851 0.103 3 457 601 40 PHE N N 118.326 0.029 1 458 602 41 THR HA H 4.554 0.007 1 459 602 41 THR HB H 3.717 0.008 1 460 602 41 THR HG2 H 1.162 0.008 1 461 602 41 THR C C 172.966 0.05 1 462 602 41 THR CA C 61.264 0.05 1 463 602 41 THR CB C 71.225 0.056 1 464 602 41 THR CG2 C 21.551 0.024 1 465 603 42 ILE H H 8.420 0.002 1 466 603 42 ILE HA H 4.546 0.005 1 467 603 42 ILE HB H 1.703 0.009 1 468 603 42 ILE HG12 H 1.037 0.006 2 469 603 42 ILE HG13 H 1.386 0.002 2 470 603 42 ILE HG2 H 0.923 0.004 1 471 603 42 ILE HD1 H 0.589 0.004 1 472 603 42 ILE C C 174.613 0.05 1 473 603 42 ILE CA C 61.606 0.098 1 474 603 42 ILE CB C 39.358 0.067 1 475 603 42 ILE CG1 C 29.651 0.058 1 476 603 42 ILE CG2 C 16.256 0.022 1 477 603 42 ILE CD1 C 14.115 0.01 1 478 603 42 ILE N N 128.443 0.046 1 479 604 43 VAL H H 8.903 0.006 1 480 604 43 VAL HA H 4.194 0.011 1 481 604 43 VAL HB H 1.884 0.005 1 482 604 43 VAL HG2 H 0.746 0.004 1 483 604 43 VAL C C 175.333 0.05 1 484 604 43 VAL CA C 62.532 0.09 1 485 604 43 VAL CB C 33.044 0.083 1 486 604 43 VAL CG2 C 21.106 0.042 1 487 604 43 VAL N N 129.054 0.021 1 488 605 44 GLY H H 8.602 0.002 1 489 605 44 GLY HA2 H 3.702 0.002 2 490 605 44 GLY HA3 H 4.634 0.003 2 491 605 44 GLY C C 170.092 0.05 1 492 605 44 GLY CA C 42.934 0.094 1 493 605 44 GLY N N 116.757 0.042 1 494 606 45 PRO HA H 4.418 0.005 1 495 606 45 PRO HB2 H 2.089 0.003 2 496 606 45 PRO HB3 H 2.335 0.004 2 497 606 45 PRO HG2 H 2.039 0.007 2 498 606 45 PRO HG3 H 2.168 0.002 2 499 606 45 PRO HD2 H 3.582 0.009 2 500 606 45 PRO HD3 H 3.332 0.012 2 501 606 45 PRO C C 175.288 0.05 1 502 606 45 PRO CA C 62.910 0.127 1 503 606 45 PRO CB C 32.305 0.067 1 504 606 45 PRO CG C 27.779 0.033 1 505 606 45 PRO CD C 49.952 0.062 1 506 607 46 ASN H H 8.215 0.002 1 507 607 46 ASN HA H 4.604 0.002 1 508 607 46 ASN HB2 H 2.835 0.008 2 509 607 46 ASN HB3 H 3.255 0.002 2 510 607 46 ASN HD21 H 7.012 0.001 1 511 607 46 ASN HD22 H 7.670 0.001 1 512 607 46 ASN C C 174.719 0.05 1 513 607 46 ASN CA C 53.394 0.066 1 514 607 46 ASN CB C 38.617 0.067 1 515 607 46 ASN CG C 177.545 0.014 1 516 607 46 ASN N N 114.367 0.046 1 517 607 46 ASN ND2 N 112.304 0.071 1 518 608 47 SER H H 7.466 0.002 1 519 608 47 SER HA H 5.603 0.007 1 520 608 47 SER HB2 H 3.677 0.007 1 521 608 47 SER HB3 H 3.677 0.007 1 522 608 47 SER C C 173.297 0.05 1 523 608 47 SER CA C 56.602 0.098 1 524 608 47 SER CB C 65.662 0.151 1 525 608 47 SER N N 111.165 0.036 1 526 609 48 VAL H H 8.811 0.003 1 527 609 48 VAL HA H 4.765 0.004 1 528 609 48 VAL HB H 2.125 0.001 1 529 609 48 VAL HG1 H 0.861 0.008 2 530 609 48 VAL HG2 H 0.849 0.005 2 531 609 48 VAL C C 172.734 0.05 1 532 609 48 VAL CA C 59.758 0.069 1 533 609 48 VAL CB C 35.450 0.118 1 534 609 48 VAL CG1 C 21.996 0.083 2 535 609 48 VAL CG2 C 20.819 0.086 2 536 609 48 VAL N N 116.618 0.039 1 537 610 49 GLN H H 8.509 0.004 1 538 610 49 GLN HA H 5.203 0.005 1 539 610 49 GLN HB2 H 1.745 0.002 2 540 610 49 GLN HB3 H 1.893 0.004 2 541 610 49 GLN HG2 H 1.363 0.009 1 542 610 49 GLN HG3 H 1.363 0.009 1 543 610 49 GLN HE21 H 6.520 0.001 1 544 610 49 GLN HE22 H 6.842 0.001 1 545 610 49 GLN C C 173.580 0.05 1 546 610 49 GLN CA C 53.310 0.074 1 547 610 49 GLN CB C 31.961 0.057 1 548 610 49 GLN CG C 33.470 0.08 1 549 610 49 GLN CD C 178.839 0.007 1 550 610 49 GLN N N 120.639 0.044 1 551 610 49 GLN NE2 N 110.662 0.06 1 552 611 50 CYS H H 8.097 0.002 1 553 611 50 CYS HA H 4.668 0.004 1 554 611 50 CYS HB2 H 2.409 0.007 2 555 611 50 CYS HB3 H 2.997 0.009 2 556 611 50 CYS C C 173.236 0.05 1 557 611 50 CYS CA C 54.534 0.066 1 558 611 50 CYS CB C 37.453 0.043 1 559 611 50 CYS N N 119.287 0.042 1 560 612 51 TYR H H 8.438 0.004 1 561 612 51 TYR HA H 4.648 0.011 1 562 612 51 TYR HB2 H 1.750 0.009 2 563 612 51 TYR HB3 H 2.427 0.009 2 564 612 51 TYR HD1 H 7.097 0.007 3 565 612 51 TYR HD2 H 7.097 0.007 3 566 612 51 TYR HE1 H 6.866 0.01 3 567 612 51 TYR HE2 H 6.866 0.01 3 568 612 51 TYR C C 176.808 0.05 1 569 612 51 TYR CA C 57.071 0.076 1 570 612 51 TYR CB C 40.604 0.056 1 571 612 51 TYR CD1 C 134.247 0.062 3 572 612 51 TYR CD2 C 134.247 0.062 3 573 612 51 TYR CE1 C 117.842 0.051 3 574 612 51 TYR CE2 C 117.842 0.051 3 575 612 51 TYR N N 131.197 0.034 1 576 613 52 HIS H H 9.106 0.004 1 577 613 52 HIS HA H 4.136 0.009 1 578 613 52 HIS HB2 H 3.155 0.005 2 579 613 52 HIS HB3 H 3.235 0.008 2 580 613 52 HIS HD2 H 7.205 0.007 1 581 613 52 HIS C C 175.028 0.05 1 582 613 52 HIS CA C 59.922 0.085 1 583 613 52 HIS CB C 29.883 0.122 1 584 613 52 HIS CD2 C 119.749 0.055 1 585 613 52 HIS N N 119.211 0.033 1 586 614 53 PHE H H 5.997 0.003 1 587 614 53 PHE HA H 4.795 0.007 1 588 614 53 PHE HB2 H 2.625 0.008 2 589 614 53 PHE HB3 H 3.473 0.008 2 590 614 53 PHE HD1 H 6.789 0.004 3 591 614 53 PHE HD2 H 6.789 0.004 3 592 614 53 PHE HE1 H 7.014 0.006 3 593 614 53 PHE HE2 H 7.014 0.006 3 594 614 53 PHE C C 174.624 0.05 1 595 614 53 PHE CA C 54.946 0.068 1 596 614 53 PHE CB C 38.092 0.085 1 597 614 53 PHE CD1 C 131.929 0.061 3 598 614 53 PHE CD2 C 131.929 0.061 3 599 614 53 PHE CE1 C 131.876 0.079 3 600 614 53 PHE CE2 C 131.876 0.079 3 601 614 53 PHE N N 109.454 0.041 1 602 615 54 GLY H H 7.322 0.002 1 603 615 54 GLY HA2 H 3.739 0.006 2 604 615 54 GLY HA3 H 4.697 0.006 2 605 615 54 GLY C C 172.740 0.05 1 606 615 54 GLY CA C 43.946 0.11 1 607 615 54 GLY N N 112.511 0.044 1 608 616 55 LEU H H 8.401 0.002 1 609 616 55 LEU HA H 5.018 0.003 1 610 616 55 LEU HB2 H 1.178 0.002 2 611 616 55 LEU HB3 H 1.809 0.004 2 612 616 55 LEU HG H 0.864 0.004 1 613 616 55 LEU HD1 H 0.523 0.014 2 614 616 55 LEU HD2 H 0.573 0.003 2 615 616 55 LEU C C 178.335 0.05 1 616 616 55 LEU CA C 54.578 0.087 1 617 616 55 LEU CB C 42.737 0.065 1 618 616 55 LEU CG C 26.260 0.106 1 619 616 55 LEU CD1 C 22.952 0.065 2 620 616 55 LEU CD2 C 22.984 0.054 2 621 616 55 LEU N N 119.393 0.036 1 622 617 56 SER H H 8.892 0.002 1 623 617 56 SER HA H 4.930 0.011 1 624 617 56 SER HB2 H 3.848 0.002 1 625 617 56 SER HB3 H 3.848 0.002 1 626 617 56 SER C C 174.611 0.05 1 627 617 56 SER CA C 56.605 0.079 1 628 617 56 SER CB C 65.771 0.089 1 629 617 56 SER N N 116.654 0.041 1 630 618 57 PRO HA H 5.102 0.009 1 631 618 57 PRO HB2 H 2.396 0.007 2 632 618 57 PRO HB3 H 2.515 0.007 2 633 618 57 PRO HG2 H 1.838 0.009 2 634 618 57 PRO HG3 H 2.110 0.007 2 635 618 57 PRO HD2 H 3.705 0.005 2 636 618 57 PRO HD3 H 3.959 0.006 2 637 618 57 PRO C C 173.146 0.05 1 638 618 57 PRO CA C 63.286 0.054 1 639 618 57 PRO CB C 33.616 0.068 1 640 618 57 PRO CG C 25.292 0.047 1 641 618 57 PRO CD C 50.158 0.049 1 642 619 58 ASP H H 7.635 0.001 1 643 619 58 ASP HA H 4.434 0.004 1 644 619 58 ASP HB2 H 2.512 0.004 2 645 619 58 ASP HB3 H 2.646 0.003 2 646 619 58 ASP C C 175.019 0.05 1 647 619 58 ASP CA C 54.819 0.093 1 648 619 58 ASP CB C 40.979 0.068 1 649 619 58 ASP N N 114.077 0.048 1 650 620 59 LEU H H 7.736 0.002 1 651 620 59 LEU HA H 3.839 0.009 1 652 620 59 LEU HB2 H 1.198 0.006 2 653 620 59 LEU HB3 H 1.478 0.008 2 654 620 59 LEU HG H 1.674 0.005 1 655 620 59 LEU HD1 H 0.717 0.003 2 656 620 59 LEU HD2 H 0.863 0.003 2 657 620 59 LEU C C 175.516 0.05 1 658 620 59 LEU CA C 53.911 0.039 1 659 620 59 LEU CB C 40.356 0.058 1 660 620 59 LEU CG C 28.777 0.106 1 661 620 59 LEU CD1 C 25.499 0.049 2 662 620 59 LEU CD2 C 25.854 0.09 2 663 620 59 LEU N N 117.844 0.048 1 664 621 60 PRO HA H 4.630 0.004 1 665 621 60 PRO HB2 H 1.617 0.004 2 666 621 60 PRO HB3 H 2.006 0.003 2 667 621 60 PRO HG2 H 1.855 0.006 2 668 621 60 PRO HG3 H 1.191 0.011 2 669 621 60 PRO HD2 H 2.602 0.011 2 670 621 60 PRO HD3 H 3.259 0.005 2 671 621 60 PRO C C 173.397 0.05 1 672 621 60 PRO CA C 62.143 0.078 1 673 621 60 PRO CB C 33.090 0.086 1 674 621 60 PRO CG C 27.008 0.062 1 675 621 60 PRO CD C 49.297 0.042 1 676 622 61 ILE H H 7.790 0.004 1 677 622 61 ILE HA H 4.469 0.006 1 678 622 61 ILE HB H 1.992 0.007 1 679 622 61 ILE HG12 H 1.094 0.009 2 680 622 61 ILE HG13 H 1.188 0.007 2 681 622 61 ILE HG2 H 0.871 0.004 1 682 622 61 ILE HD1 H 0.823 0.003 1 683 622 61 ILE C C 174.636 0.05 1 684 622 61 ILE CA C 59.126 0.05 1 685 622 61 ILE CB C 41.690 0.066 1 686 622 61 ILE CG1 C 26.723 0.089 1 687 622 61 ILE CG2 C 18.262 0.034 1 688 622 61 ILE CD1 C 14.332 0.061 1 689 622 61 ILE N N 108.123 0.037 1 690 623 62 CYS H H 8.219 0.005 1 691 623 62 CYS HA H 5.327 0.005 1 692 623 62 CYS HB2 H 2.657 0.004 2 693 623 62 CYS HB3 H 2.838 0.004 2 694 623 62 CYS C C 174.364 0.05 1 695 623 62 CYS CA C 53.550 0.062 1 696 623 62 CYS CB C 43.680 0.054 1 697 623 62 CYS N N 117.684 0.039 1 698 624 63 LYS H H 9.235 0.003 1 699 624 63 LYS HA H 4.822 0.004 1 700 624 63 LYS HB2 H 1.488 0.004 2 701 624 63 LYS HB3 H 1.771 0.004 2 702 624 63 LYS HG2 H 1.355 0.004 1 703 624 63 LYS HG3 H 1.355 0.004 1 704 624 63 LYS HD2 H 1.620 0.001 1 705 624 63 LYS HD3 H 1.620 0.001 1 706 624 63 LYS HE2 H 2.900 0.001 2 707 624 63 LYS HE3 H 3.010 0.005 2 708 624 63 LYS C C 175.791 0.05 1 709 624 63 LYS CA C 54.937 0.091 1 710 624 63 LYS CB C 35.956 0.048 1 711 624 63 LYS CG C 25.385 0.1 1 712 624 63 LYS CD C 29.150 0.01 1 713 624 63 LYS CE C 41.973 0.136 1 714 624 63 LYS N N 123.814 0.038 1 715 625 64 GLU H H 9.240 0.002 1 716 625 64 GLU HA H 3.596 0.009 1 717 625 64 GLU HB2 H 1.735 0.002 1 718 625 64 GLU HB3 H 1.735 0.002 1 719 625 64 GLU HG2 H 1.859 0.008 2 720 625 64 GLU HG3 H 1.742 0.006 2 721 625 64 GLU C C 176.133 0.05 1 722 625 64 GLU CA C 58.287 0.048 1 723 625 64 GLU CB C 29.855 0.017 1 724 625 64 GLU CG C 36.553 0.11 1 725 625 64 GLU N N 126.037 0.027 1 726 626 65 GLN H H 7.829 0.003 1 727 626 65 GLN HA H 4.328 0.006 1 728 626 65 GLN HB2 H 1.709 0.005 2 729 626 65 GLN HB3 H 1.763 0.003 2 730 626 65 GLN HG2 H 2.081 0.001 2 731 626 65 GLN HG3 H 2.140 0.009 2 732 626 65 GLN HE21 H 6.721 0.003 1 733 626 65 GLN HE22 H 7.402 0.002 1 734 626 65 GLN C C 174.769 0.05 1 735 626 65 GLN CA C 55.146 0.044 1 736 626 65 GLN CB C 29.951 0.077 1 737 626 65 GLN CG C 33.685 0.053 1 738 626 65 GLN CD C 180.127 0.05 1 739 626 65 GLN N N 120.607 0.029 1 740 626 65 GLN NE2 N 111.792 0.043 1 741 627 66 VAL H H 8.031 0.006 1 742 627 66 VAL HA H 4.259 0.003 1 743 627 66 VAL HB H 1.636 0.007 1 744 627 66 VAL HG1 H 0.385 0.011 2 745 627 66 VAL HG2 H 0.624 0.006 2 746 627 66 VAL C C 175.889 0.05 1 747 627 66 VAL CA C 60.014 0.081 1 748 627 66 VAL CB C 34.098 0.031 1 749 627 66 VAL CG1 C 21.982 0.053 2 750 627 66 VAL CG2 C 18.762 0.032 2 751 627 66 VAL N N 118.377 0.029 1 752 628 67 GLN H H 8.930 0.002 1 753 628 67 GLN HA H 4.272 0.008 1 754 628 67 GLN HB2 H 2.015 0.007 2 755 628 67 GLN HB3 H 1.616 0.007 2 756 628 67 GLN HG2 H 2.292 0.006 2 757 628 67 GLN HG3 H 2.387 0.003 2 758 628 67 GLN HE21 H 6.760 0.002 1 759 628 67 GLN HE22 H 7.400 0.002 1 760 628 67 GLN C C 175.052 0.05 1 761 628 67 GLN CA C 55.808 0.079 1 762 628 67 GLN CB C 30.385 0.061 1 763 628 67 GLN CG C 34.163 0.067 1 764 628 67 GLN CD C 180.616 0.012 1 765 628 67 GLN N N 124.151 0.047 1 766 628 67 GLN NE2 N 112.364 0.029 1 767 629 68 SER H H 7.940 0.002 1 768 629 68 SER HA H 4.699 0.009 1 769 629 68 SER HB2 H 3.850 0.005 2 770 629 68 SER HB3 H 3.915 0.008 2 771 629 68 SER C C 173.791 0.05 1 772 629 68 SER CA C 57.649 0.07 1 773 629 68 SER CB C 64.683 0.053 1 774 629 68 SER N N 115.361 0.034 1 775 630 69 CYS H H 9.265 0.003 1 776 630 69 CYS HA H 4.578 0.005 1 777 630 69 CYS HB2 H 2.076 0.008 2 778 630 69 CYS HB3 H 2.732 0.009 2 779 630 69 CYS C C 175.354 0.05 1 780 630 69 CYS CA C 57.687 0.089 1 781 630 69 CYS CB C 44.470 0.054 1 782 630 69 CYS N N 117.465 0.039 1 783 631 70 GLY H H 8.190 0.003 1 784 631 70 GLY HA2 H 3.991 0.005 2 785 631 70 GLY HA3 H 4.622 0.007 2 786 631 70 GLY C C 170.124 0.05 1 787 631 70 GLY CA C 44.316 0.076 1 788 631 70 GLY N N 108.767 0.046 1 789 632 71 PRO HA H 4.723 0.005 1 790 632 71 PRO HB2 H 1.841 0.005 2 791 632 71 PRO HB3 H 2.521 0.005 2 792 632 71 PRO HG2 H 2.170 0.001 2 793 632 71 PRO HG3 H 2.225 0.008 2 794 632 71 PRO HD2 H 3.635 0.006 2 795 632 71 PRO HD3 H 3.888 0.003 2 796 632 71 PRO CA C 61.751 0.05 1 797 632 71 PRO CB C 30.727 0.075 1 798 632 71 PRO CG C 27.963 0.053 1 799 632 71 PRO CD C 49.420 0.039 1 800 633 72 PRO HA H 3.472 0.005 1 801 633 72 PRO HB2 H 0.455 0.008 2 802 633 72 PRO HB3 H 0.528 0.005 2 803 633 72 PRO HG2 H 1.332 0.005 2 804 633 72 PRO HG3 H 1.643 0.005 2 805 633 72 PRO HD2 H 3.590 0.003 2 806 633 72 PRO HD3 H 3.558 0.004 2 807 633 72 PRO CA C 60.594 0.035 1 808 633 72 PRO CB C 30.033 0.032 1 809 633 72 PRO CG C 26.983 0.056 1 810 633 72 PRO CD C 50.278 0.012 1 811 634 73 PRO HA H 4.312 0.009 1 812 634 73 PRO HB2 H 2.215 0.002 2 813 634 73 PRO HB3 H 1.742 0.004 2 814 634 73 PRO HG2 H 1.855 0.005 1 815 634 73 PRO HG3 H 1.855 0.005 1 816 634 73 PRO HD2 H 2.768 0.005 2 817 634 73 PRO HD3 H 2.899 0.006 2 818 634 73 PRO C C 176.712 0.05 1 819 634 73 PRO CA C 61.773 0.082 1 820 634 73 PRO CB C 32.443 0.079 1 821 634 73 PRO CG C 27.220 0.046 1 822 634 73 PRO CD C 49.900 0.057 1 823 635 74 GLU H H 8.282 0.002 1 824 635 74 GLU HA H 4.091 0.004 1 825 635 74 GLU HB2 H 1.825 0.004 1 826 635 74 GLU HB3 H 1.825 0.004 1 827 635 74 GLU HG2 H 2.231 0.006 2 828 635 74 GLU HG3 H 2.056 0.004 2 829 635 74 GLU C C 174.747 0.05 1 830 635 74 GLU CA C 56.497 0.085 1 831 635 74 GLU CB C 30.396 0.058 1 832 635 74 GLU CG C 36.419 0.04 1 833 635 74 GLU N N 120.720 0.058 1 834 636 75 LEU H H 8.759 0.002 1 835 636 75 LEU HA H 4.242 0.004 1 836 636 75 LEU HB2 H 0.736 0.005 2 837 636 75 LEU HB3 H 1.398 0.004 2 838 636 75 LEU HG H 0.928 0.004 1 839 636 75 LEU HD1 H 0.392 0.006 2 840 636 75 LEU HD2 H 0.486 0.002 2 841 636 75 LEU C C 175.579 0.05 1 842 636 75 LEU CA C 52.388 0.075 1 843 636 75 LEU CB C 44.384 0.051 1 844 636 75 LEU CG C 26.687 0.067 1 845 636 75 LEU CD1 C 28.102 0.053 2 846 636 75 LEU CD2 C 24.432 0.078 2 847 636 75 LEU N N 127.043 0.027 1 848 637 76 LEU H H 8.488 0.001 1 849 637 76 LEU HA H 3.932 0.004 1 850 637 76 LEU HB2 H 1.435 0.004 1 851 637 76 LEU HB3 H 1.435 0.004 1 852 637 76 LEU HG H 1.498 0.007 1 853 637 76 LEU HD1 H 0.810 0.009 2 854 637 76 LEU HD2 H 0.828 0.006 2 855 637 76 LEU C C 177.913 0.05 1 856 637 76 LEU CA C 56.420 0.106 1 857 637 76 LEU CB C 40.903 0.057 1 858 637 76 LEU CG C 26.712 0.038 1 859 637 76 LEU CD1 C 24.610 0.04 2 860 637 76 LEU CD2 C 23.531 0.051 2 861 637 76 LEU N N 131.072 0.036 1 862 638 77 ASN H H 9.000 0.002 1 863 638 77 ASN HA H 3.681 0.005 1 864 638 77 ASN HB2 H 1.053 0.004 2 865 638 77 ASN HB3 H 2.222 0.001 2 866 638 77 ASN HD21 H 6.980 0.001 1 867 638 77 ASN HD22 H 7.494 0.002 1 868 638 77 ASN C C 172.318 0.05 1 869 638 77 ASN CA C 55.559 0.091 1 870 638 77 ASN CB C 36.053 0.058 1 871 638 77 ASN CG C 179.109 0.014 1 872 638 77 ASN N N 117.275 0.035 1 873 638 77 ASN ND2 N 118.092 0.022 1 874 639 78 GLY H H 7.690 0.004 1 875 639 78 GLY HA2 H 3.722 0.005 2 876 639 78 GLY HA3 H 4.164 0.006 2 877 639 78 GLY C C 171.923 0.05 1 878 639 78 GLY CA C 45.667 0.096 1 879 639 78 GLY N N 104.512 0.03 1 880 640 79 ASN H H 8.507 0.002 1 881 640 79 ASN HA H 4.926 0.004 1 882 640 79 ASN HB2 H 2.045 0.004 2 883 640 79 ASN HB3 H 2.345 0.005 2 884 640 79 ASN HD21 H 6.970 0.001 1 885 640 79 ASN HD22 H 7.044 0.001 1 886 640 79 ASN C C 172.947 0.05 1 887 640 79 ASN CA C 51.968 0.078 1 888 640 79 ASN CB C 43.409 0.061 1 889 640 79 ASN CG C 178.462 0.012 1 890 640 79 ASN N N 116.594 0.044 1 891 640 79 ASN ND2 N 113.307 0.032 1 892 641 80 VAL H H 8.180 0.003 1 893 641 80 VAL HA H 4.008 0.006 1 894 641 80 VAL HB H 1.792 0.002 1 895 641 80 VAL HG1 H 0.444 0.002 2 896 641 80 VAL HG2 H 0.583 0.001 2 897 641 80 VAL C C 176.739 0.05 1 898 641 80 VAL CA C 60.738 0.07 1 899 641 80 VAL CB C 32.854 0.006 1 900 641 80 VAL CG1 C 22.293 0.049 2 901 641 80 VAL CG2 C 20.300 0.05 2 902 641 80 VAL N N 115.993 0.038 1 903 642 81 LYS H H 8.408 0.005 1 904 642 81 LYS HA H 4.134 0.004 1 905 642 81 LYS HB2 H 1.573 0.002 2 906 642 81 LYS HB3 H 1.813 0.005 2 907 642 81 LYS HG2 H 1.348 0.003 1 908 642 81 LYS HG3 H 1.348 0.003 1 909 642 81 LYS HD2 H 1.533 0.003 1 910 642 81 LYS HD3 H 1.533 0.003 1 911 642 81 LYS HE2 H 2.815 0.008 1 912 642 81 LYS HE3 H 2.815 0.008 1 913 642 81 LYS C C 176.427 0.05 1 914 642 81 LYS CA C 58.682 0.081 1 915 642 81 LYS CB C 33.938 0.08 1 916 642 81 LYS CG C 25.857 0.062 1 917 642 81 LYS CD C 29.380 0.063 1 918 642 81 LYS CE C 42.065 0.014 1 919 642 81 LYS N N 123.547 0.031 1 920 643 82 GLU H H 7.785 0.002 1 921 643 82 GLU HA H 4.474 0.003 1 922 643 82 GLU HB2 H 2.113 0.005 2 923 643 82 GLU HB3 H 1.897 0.001 2 924 643 82 GLU HG2 H 2.232 0.007 1 925 643 82 GLU HG3 H 2.232 0.007 1 926 643 82 GLU C C 175.226 0.05 1 927 643 82 GLU CA C 54.854 0.092 1 928 643 82 GLU CB C 31.871 0.008 1 929 643 82 GLU CG C 36.106 0.072 1 930 643 82 GLU N N 116.574 0.034 1 931 644 83 LYS H H 8.356 0.004 1 932 644 83 LYS HA H 4.263 0.013 1 933 644 83 LYS HB2 H 1.768 0.005 1 934 644 83 LYS HB3 H 1.768 0.005 1 935 644 83 LYS HG2 H 1.304 0.004 2 936 644 83 LYS HG3 H 1.494 0.003 2 937 644 83 LYS HD2 H 1.688 0.005 1 938 644 83 LYS HD3 H 1.688 0.005 1 939 644 83 LYS HE2 H 2.956 0.003 2 940 644 83 LYS HE3 H 3.017 0.001 2 941 644 83 LYS C C 177.566 0.05 1 942 644 83 LYS CA C 56.849 0.009 1 943 644 83 LYS CB C 32.564 0.071 1 944 644 83 LYS CG C 24.828 0.113 1 945 644 83 LYS CD C 29.469 0.037 1 946 644 83 LYS CE C 42.200 0.009 1 947 644 83 LYS N N 121.608 0.034 1 948 645 84 THR H H 8.311 0.002 1 949 645 84 THR HA H 4.288 0.004 1 950 645 84 THR HB H 4.410 0.002 1 951 645 84 THR HG2 H 1.297 0.01 1 952 645 84 THR C C 174.594 0.05 1 953 645 84 THR CA C 61.852 0.06 1 954 645 84 THR CB C 70.441 0.038 1 955 645 84 THR CG2 C 22.695 0.039 1 956 645 84 THR N N 116.650 0.042 1 957 646 85 LYS H H 8.010 0.002 1 958 646 85 LYS HA H 4.618 0.004 1 959 646 85 LYS HB2 H 1.291 0.008 2 960 646 85 LYS HB3 H 1.686 0.005 2 961 646 85 LYS HG2 H 0.970 0.008 1 962 646 85 LYS HG3 H 0.970 0.008 1 963 646 85 LYS HD2 H 1.195 0.008 1 964 646 85 LYS HD3 H 1.195 0.008 1 965 646 85 LYS HE2 H 2.440 0.008 2 966 646 85 LYS HE3 H 2.583 0.007 2 967 646 85 LYS C C 176.010 0.05 1 968 646 85 LYS CA C 54.836 0.07 1 969 646 85 LYS CB C 34.392 0.058 1 970 646 85 LYS CG C 24.646 0.059 1 971 646 85 LYS CD C 24.655 0.028 1 972 646 85 LYS CE C 41.830 0.108 1 973 646 85 LYS N N 120.337 0.054 1 974 647 86 GLU H H 8.402 0.002 1 975 647 86 GLU HA H 4.226 0.003 1 976 647 86 GLU HB2 H 1.931 0.003 2 977 647 86 GLU HB3 H 2.109 0.003 2 978 647 86 GLU HG2 H 2.259 0.009 2 979 647 86 GLU HG3 H 2.329 0.006 2 980 647 86 GLU C C 175.797 0.05 1 981 647 86 GLU CA C 57.974 0.093 1 982 647 86 GLU CB C 30.414 0.081 1 983 647 86 GLU CG C 36.755 0.036 1 984 647 86 GLU N N 116.991 0.029 1 985 648 87 GLU H H 7.186 0.003 1 986 648 87 GLU HA H 4.826 0.008 1 987 648 87 GLU HB2 H 1.841 0.002 1 988 648 87 GLU HB3 H 1.841 0.002 1 989 648 87 GLU HG2 H 2.054 0.012 2 990 648 87 GLU HG3 H 2.123 0.004 2 991 648 87 GLU C C 173.913 0.05 1 992 648 87 GLU CA C 55.336 0.009 1 993 648 87 GLU CB C 33.156 0.074 1 994 648 87 GLU CG C 36.214 0.114 1 995 648 87 GLU N N 115.655 0.03 1 996 649 88 TYR H H 8.934 0.004 1 997 649 88 TYR HA H 4.437 0.003 1 998 649 88 TYR HB2 H 2.748 0.002 2 999 649 88 TYR HB3 H 2.641 0.005 2 1000 649 88 TYR HD1 H 7.099 0.006 3 1001 649 88 TYR HD2 H 7.099 0.006 3 1002 649 88 TYR HE1 H 6.882 0.007 3 1003 649 88 TYR HE2 H 6.882 0.007 3 1004 649 88 TYR C C 174.517 0.05 1 1005 649 88 TYR CA C 56.944 0.106 1 1006 649 88 TYR CB C 42.178 0.086 1 1007 649 88 TYR CD1 C 133.101 0.05 3 1008 649 88 TYR CD2 C 133.101 0.05 3 1009 649 88 TYR CE1 C 118.714 0.046 3 1010 649 88 TYR CE2 C 118.714 0.046 3 1011 649 88 TYR N N 123.437 0.058 1 1012 650 89 GLY H H 9.154 0.005 1 1013 650 89 GLY HA2 H 3.625 0.01 2 1014 650 89 GLY HA3 H 4.159 0.009 2 1015 650 89 GLY C C 173.699 0.05 1 1016 650 89 GLY CA C 44.275 0.088 1 1017 650 89 GLY N N 109.553 0.038 1 1018 651 90 HIS H H 8.343 0.002 1 1019 651 90 HIS HA H 4.043 0.009 1 1020 651 90 HIS HB2 H 3.030 0.01 2 1021 651 90 HIS HB3 H 2.765 0.01 2 1022 651 90 HIS HD2 H 6.999 0.009 1 1023 651 90 HIS HE1 H 7.725 0.006 1 1024 651 90 HIS C C 177.600 0.05 1 1025 651 90 HIS CA C 58.875 0.034 1 1026 651 90 HIS CB C 31.465 0.078 1 1027 651 90 HIS CD2 C 118.717 0.043 1 1028 651 90 HIS CE1 C 138.195 0.074 1 1029 651 90 HIS N N 120.315 0.038 1 1030 652 91 SER H H 9.206 0.004 1 1031 652 91 SER HA H 3.780 0.015 1 1032 652 91 SER HB2 H 3.634 0.007 2 1033 652 91 SER HB3 H 4.048 0.006 2 1034 652 91 SER C C 174.411 0.05 1 1035 652 91 SER CA C 61.548 0.087 1 1036 652 91 SER CB C 63.436 0.083 1 1037 652 91 SER N N 122.684 0.044 1 1038 653 92 GLU H H 8.270 0.004 1 1039 653 92 GLU HA H 4.358 0.006 1 1040 653 92 GLU HB2 H 2.413 0.008 2 1041 653 92 GLU HB3 H 2.481 0.002 2 1042 653 92 GLU HG2 H 2.325 0.002 1 1043 653 92 GLU HG3 H 2.325 0.002 1 1044 653 92 GLU C C 175.169 0.05 1 1045 653 92 GLU CA C 59.458 0.054 1 1046 653 92 GLU CB C 31.438 0.057 1 1047 653 92 GLU CG C 38.894 0.11 1 1048 653 92 GLU N N 123.824 0.029 1 1049 654 93 VAL H H 8.271 0.003 1 1050 654 93 VAL HA H 5.466 0.008 1 1051 654 93 VAL HB H 1.955 0.002 1 1052 654 93 VAL HG1 H 0.974 0.009 2 1053 654 93 VAL HG2 H 0.937 0.009 2 1054 654 93 VAL C C 176.111 0.05 1 1055 654 93 VAL CA C 60.121 0.073 1 1056 654 93 VAL CB C 35.644 0.08 1 1057 654 93 VAL CG1 C 20.554 0.043 2 1058 654 93 VAL CG2 C 21.670 0.067 2 1059 654 93 VAL N N 120.830 0.04 1 1060 655 94 VAL H H 8.552 0.002 1 1061 655 94 VAL HA H 4.168 0.006 1 1062 655 94 VAL HB H 1.317 0.008 1 1063 655 94 VAL HG1 H 0.370 0.006 2 1064 655 94 VAL HG2 H 0.344 0.004 2 1065 655 94 VAL C C 173.402 0.05 1 1066 655 94 VAL CA C 61.564 0.091 1 1067 655 94 VAL CB C 35.298 0.028 1 1068 655 94 VAL CG1 C 22.879 0.045 2 1069 655 94 VAL CG2 C 21.613 0.023 2 1070 655 94 VAL N N 124.465 0.023 1 1071 656 95 GLU H H 8.282 0.007 1 1072 656 95 GLU HA H 5.180 0.003 1 1073 656 95 GLU HB2 H 1.808 0.004 2 1074 656 95 GLU HB3 H 1.871 0.004 2 1075 656 95 GLU HG2 H 2.139 0.003 2 1076 656 95 GLU HG3 H 2.299 0.003 2 1077 656 95 GLU C C 174.965 0.05 1 1078 656 95 GLU CA C 54.658 0.069 1 1079 656 95 GLU CB C 33.028 0.072 1 1080 656 95 GLU CG C 36.985 0.044 1 1081 656 95 GLU N N 125.702 0.031 1 1082 657 96 TYR H H 8.769 0.001 1 1083 657 96 TYR HA H 5.169 0.01 1 1084 657 96 TYR HB2 H 2.281 0.009 2 1085 657 96 TYR HB3 H 2.638 0.008 2 1086 657 96 TYR HD1 H 6.581 0.011 3 1087 657 96 TYR HD2 H 6.581 0.011 3 1088 657 96 TYR HE1 H 6.279 0.009 3 1089 657 96 TYR HE2 H 6.279 0.009 3 1090 657 96 TYR C C 175.346 0.05 1 1091 657 96 TYR CA C 57.371 0.093 1 1092 657 96 TYR CB C 43.822 0.057 1 1093 657 96 TYR CD1 C 132.428 0.039 3 1094 657 96 TYR CD2 C 132.428 0.039 3 1095 657 96 TYR CE1 C 118.279 0.034 3 1096 657 96 TYR CE2 C 118.279 0.034 3 1097 657 96 TYR N N 123.209 0.054 1 1098 658 97 TYR H H 8.765 0.002 1 1099 658 97 TYR HA H 4.818 0.008 1 1100 658 97 TYR HB2 H 2.897 0.006 2 1101 658 97 TYR HB3 H 3.115 0.008 2 1102 658 97 TYR HD1 H 6.838 0.006 3 1103 658 97 TYR HD2 H 6.838 0.006 3 1104 658 97 TYR HE1 H 6.653 0.004 3 1105 658 97 TYR HE2 H 6.653 0.004 3 1106 658 97 TYR C C 173.809 0.05 1 1107 658 97 TYR CA C 56.400 0.096 1 1108 658 97 TYR CB C 41.110 0.06 1 1109 658 97 TYR CD1 C 133.787 0.037 3 1110 658 97 TYR CD2 C 133.787 0.037 3 1111 658 97 TYR CE1 C 117.675 0.062 3 1112 658 97 TYR CE2 C 117.675 0.062 3 1113 658 97 TYR N N 114.941 0.044 1 1114 659 98 CYS H H 8.971 0.001 1 1115 659 98 CYS HA H 5.009 0.004 1 1116 659 98 CYS HB2 H 2.685 0.004 2 1117 659 98 CYS HB3 H 3.050 0.005 2 1118 659 98 CYS C C 174.469 0.05 1 1119 659 98 CYS CA C 54.177 0.07 1 1120 659 98 CYS CB C 40.766 0.066 1 1121 659 98 CYS N N 116.777 0.04 1 1122 660 99 ASN H H 9.014 0.002 1 1123 660 99 ASN HA H 4.819 0.009 1 1124 660 99 ASN HB2 H 2.452 0.008 2 1125 660 99 ASN HB3 H 2.977 0.011 2 1126 660 99 ASN HD21 H 6.861 0.002 1 1127 660 99 ASN HD22 H 7.442 0.002 1 1128 660 99 ASN C C 171.940 0.05 1 1129 660 99 ASN CA C 52.234 0.082 1 1130 660 99 ASN CB C 35.843 0.06 1 1131 660 99 ASN CG C 175.506 0.011 1 1132 660 99 ASN N N 123.197 0.05 1 1133 660 99 ASN ND2 N 109.092 0.044 1 1134 661 100 PRO HA H 4.460 0.003 1 1135 661 100 PRO HB2 H 1.843 0.005 2 1136 661 100 PRO HB3 H 2.413 0.003 2 1137 661 100 PRO HG2 H 2.070 0.002 2 1138 661 100 PRO HG3 H 2.160 0.005 2 1139 661 100 PRO HD2 H 3.604 0.01 2 1140 661 100 PRO HD3 H 3.900 0.004 2 1141 661 100 PRO C C 176.692 0.05 1 1142 661 100 PRO CA C 64.686 0.042 1 1143 661 100 PRO CB C 31.730 0.071 1 1144 661 100 PRO CG C 27.881 0.004 1 1145 661 100 PRO CD C 50.318 0.035 1 1146 662 101 ARG H H 8.589 0.002 1 1147 662 101 ARG HA H 3.810 0.004 1 1148 662 101 ARG HB2 H 1.804 0.003 2 1149 662 101 ARG HB3 H 2.190 0.003 2 1150 662 101 ARG HG2 H 1.527 0.006 1 1151 662 101 ARG HG3 H 1.527 0.006 1 1152 662 101 ARG HD2 H 3.149 0.003 2 1153 662 101 ARG HD3 H 3.227 0.005 2 1154 662 101 ARG C C 174.978 0.05 1 1155 662 101 ARG CA C 58.877 0.083 1 1156 662 101 ARG CB C 27.465 0.044 1 1157 662 101 ARG CG C 27.799 0.084 1 1158 662 101 ARG CD C 43.127 0.057 1 1159 662 101 ARG N N 113.720 0.037 1 1160 663 102 PHE H H 8.207 0.002 1 1161 663 102 PHE HA H 4.990 0.01 1 1162 663 102 PHE HB2 H 2.631 0.013 2 1163 663 102 PHE HB3 H 3.389 0.01 2 1164 663 102 PHE HD1 H 6.898 0.01 3 1165 663 102 PHE HD2 H 6.898 0.01 3 1166 663 102 PHE HE1 H 7.207 0.007 3 1167 663 102 PHE HE2 H 7.207 0.007 3 1168 663 102 PHE C C 174.739 0.05 1 1169 663 102 PHE CA C 56.904 0.11 1 1170 663 102 PHE CB C 41.791 0.062 1 1171 663 102 PHE CD1 C 131.718 0.102 3 1172 663 102 PHE CD2 C 131.718 0.102 3 1173 663 102 PHE CE1 C 131.368 0.065 3 1174 663 102 PHE CE2 C 131.368 0.065 3 1175 663 102 PHE N N 117.098 0.05 1 1176 664 103 LEU H H 9.750 0.002 1 1177 664 103 LEU HA H 4.675 0.003 1 1178 664 103 LEU HB2 H 1.543 0.004 1 1179 664 103 LEU HB3 H 1.543 0.004 1 1180 664 103 LEU HG H 1.497 0.004 1 1181 664 103 LEU HD1 H 0.877 0.003 2 1182 664 103 LEU HD2 H 0.922 0.002 2 1183 664 103 LEU C C 175.375 0.05 1 1184 664 103 LEU CA C 53.335 0.093 1 1185 664 103 LEU CB C 44.965 0.047 1 1186 664 103 LEU CG C 26.798 0.056 1 1187 664 103 LEU CD1 C 23.422 0.007 2 1188 664 103 LEU CD2 C 24.921 0.055 2 1189 664 103 LEU N N 123.154 0.04 1 1190 665 104 MET H H 8.591 0.001 1 1191 665 104 MET HA H 4.855 0.004 1 1192 665 104 MET HB2 H 2.015 0.007 1 1193 665 104 MET HB3 H 2.015 0.007 1 1194 665 104 MET HG2 H 2.338 0.007 1 1195 665 104 MET HG3 H 2.338 0.007 1 1196 665 104 MET HE H 1.879 0.001 1 1197 665 104 MET C C 176.010 0.05 1 1198 665 104 MET CA C 56.276 0.086 1 1199 665 104 MET CB C 34.601 0.054 1 1200 665 104 MET CG C 32.497 0.038 1 1201 665 104 MET CE C 16.984 0.035 1 1202 665 104 MET N N 123.790 0.034 1 1203 666 105 LYS H H 9.263 0.002 1 1204 666 105 LYS HA H 4.633 0.003 1 1205 666 105 LYS HB2 H 1.622 0.005 2 1206 666 105 LYS HB3 H 1.792 0.006 2 1207 666 105 LYS HG2 H 1.260 0.003 2 1208 666 105 LYS HG3 H 1.416 0.002 2 1209 666 105 LYS HE2 H 2.869 0.003 2 1210 666 105 LYS HE3 H 2.926 0.001 2 1211 666 105 LYS C C 175.619 0.05 1 1212 666 105 LYS CA C 55.182 0.065 1 1213 666 105 LYS CB C 33.607 0.047 1 1214 666 105 LYS CG C 24.251 0.069 1 1215 666 105 LYS CE C 42.016 0.024 1 1216 666 105 LYS N N 129.719 0.029 1 1217 667 106 GLY H H 8.524 0.002 1 1218 667 106 GLY HA2 H 3.733 0.006 2 1219 667 106 GLY HA3 H 4.563 0.002 2 1220 667 106 GLY C C 170.224 0.05 1 1221 667 106 GLY CA C 43.149 0.073 1 1222 667 106 GLY N N 115.560 0.06 1 1223 668 107 PRO HA H 4.405 0.002 1 1224 668 107 PRO HB2 H 2.112 0.005 2 1225 668 107 PRO HB3 H 2.291 0.002 2 1226 668 107 PRO HG2 H 2.166 0.002 2 1227 668 107 PRO HG3 H 1.989 0.012 2 1228 668 107 PRO HD2 H 3.531 0.005 2 1229 668 107 PRO HD3 H 3.436 0.002 2 1230 668 107 PRO C C 175.249 0.05 1 1231 668 107 PRO CA C 62.773 0.049 1 1232 668 107 PRO CB C 32.382 0.103 1 1233 668 107 PRO CG C 27.485 0.117 1 1234 668 107 PRO CD C 49.621 0.039 1 1235 669 108 ASN H H 8.054 0.002 1 1236 669 108 ASN HA H 4.539 0.003 1 1237 669 108 ASN HB2 H 2.869 0.003 2 1238 669 108 ASN HB3 H 3.423 0.002 2 1239 669 108 ASN HD21 H 6.953 0.001 1 1240 669 108 ASN HD22 H 7.570 0.002 1 1241 669 108 ASN C C 173.738 0.05 1 1242 669 108 ASN CA C 53.784 0.094 1 1243 669 108 ASN CB C 38.051 0.067 1 1244 669 108 ASN CG C 177.862 0.012 1 1245 669 108 ASN N N 114.826 0.042 1 1246 669 108 ASN ND2 N 112.189 0.03 1 1247 670 109 LYS H H 7.104 0.002 1 1248 670 109 LYS HA H 5.488 0.002 1 1249 670 109 LYS HB2 H 1.567 0.01 2 1250 670 109 LYS HB3 H 1.625 0.009 2 1251 670 109 LYS HG2 H 1.155 0.002 2 1252 670 109 LYS HG3 H 1.410 0.004 2 1253 670 109 LYS HD2 H 1.574 0.008 1 1254 670 109 LYS HD3 H 1.574 0.008 1 1255 670 109 LYS HE2 H 2.894 0.006 1 1256 670 109 LYS HE3 H 2.894 0.006 1 1257 670 109 LYS C C 176.346 0.05 1 1258 670 109 LYS CA C 54.087 0.066 1 1259 670 109 LYS CB C 35.831 0.063 1 1260 670 109 LYS CG C 24.982 0.072 1 1261 670 109 LYS CD C 29.559 0.097 1 1262 670 109 LYS CE C 41.674 0.008 1 1263 670 109 LYS N N 115.642 0.048 1 1264 671 110 ILE H H 8.818 0.002 1 1265 671 110 ILE HA H 4.512 0.007 1 1266 671 110 ILE HB H 1.989 0.005 1 1267 671 110 ILE HG12 H 0.987 0.007 2 1268 671 110 ILE HG13 H 1.397 0.008 2 1269 671 110 ILE HG2 H 0.709 0.008 1 1270 671 110 ILE HD1 H 0.295 0.006 1 1271 671 110 ILE C C 173.313 0.05 1 1272 671 110 ILE CA C 59.376 0.049 1 1273 671 110 ILE CB C 40.568 0.084 1 1274 671 110 ILE CG1 C 25.708 0.011 1 1275 671 110 ILE CG2 C 17.763 0.022 1 1276 671 110 ILE CD1 C 14.595 0.023 1 1277 671 110 ILE N N 116.211 0.075 1 1278 672 111 GLN H H 8.842 0.002 1 1279 672 111 GLN HA H 5.540 0.005 1 1280 672 111 GLN HB2 H 1.714 0.007 2 1281 672 111 GLN HB3 H 1.922 0.003 2 1282 672 111 GLN HG2 H 2.012 0.007 1 1283 672 111 GLN HG3 H 2.012 0.007 1 1284 672 111 GLN HE21 H 6.789 0.002 1 1285 672 111 GLN HE22 H 7.338 0.002 1 1286 672 111 GLN C C 174.247 0.05 1 1287 672 111 GLN CA C 53.467 0.048 1 1288 672 111 GLN CB C 33.261 0.053 1 1289 672 111 GLN CG C 33.754 0.115 1 1290 672 111 GLN CD C 179.744 0.014 1 1291 672 111 GLN N N 120.715 0.034 1 1292 672 111 GLN NE2 N 111.240 0.03 1 1293 673 112 CYS H H 8.454 0.003 1 1294 673 112 CYS HA H 3.815 0.007 1 1295 673 112 CYS HB2 H 1.254 0.009 2 1296 673 112 CYS HB3 H 2.607 0.003 2 1297 673 112 CYS C C 173.906 0.05 1 1298 673 112 CYS CA C 54.491 0.049 1 1299 673 112 CYS CB C 38.494 0.045 1 1300 673 112 CYS N N 125.490 0.032 1 1301 674 113 VAL H H 8.959 0.01 1 1302 674 113 VAL HA H 4.350 0.006 1 1303 674 113 VAL HB H 2.067 0.005 1 1304 674 113 VAL HG1 H 0.895 0.005 2 1305 674 113 VAL HG2 H 0.713 0.008 2 1306 674 113 VAL C C 175.784 0.05 1 1307 674 113 VAL CA C 61.073 0.105 1 1308 674 113 VAL CB C 32.477 0.076 1 1309 674 113 VAL CG1 C 21.492 0.035 2 1310 674 113 VAL CG2 C 20.370 0.043 2 1311 674 113 VAL N N 133.265 0.082 1 1312 675 114 ASP HA H 4.397 0.009 1 1313 675 114 ASP HB2 H 2.159 0.009 2 1314 675 114 ASP HB3 H 2.939 0.007 2 1315 675 114 ASP C C 176.008 0.05 1 1316 675 114 ASP CA C 54.680 0.115 1 1317 675 114 ASP CB C 40.652 0.071 1 1318 676 115 GLY H H 6.593 0.003 1 1319 676 115 GLY HA2 H 3.428 0.008 2 1320 676 115 GLY HA3 H 3.965 0.007 2 1321 676 115 GLY C C 173.835 0.05 1 1322 676 115 GLY CA C 45.706 0.116 1 1323 676 115 GLY N N 101.841 0.065 1 1324 677 116 GLU H H 7.650 0.002 1 1325 677 116 GLU HA H 4.610 0.003 1 1326 677 116 GLU HB2 H 1.783 0.004 2 1327 677 116 GLU HB3 H 1.981 0.005 2 1328 677 116 GLU HG2 H 2.261 0.005 2 1329 677 116 GLU HG3 H 2.172 0.003 2 1330 677 116 GLU C C 175.185 0.05 1 1331 677 116 GLU CA C 53.939 0.076 1 1332 677 116 GLU CB C 33.213 0.071 1 1333 677 116 GLU CG C 35.892 0.051 1 1334 677 116 GLU N N 121.272 0.046 1 1335 678 117 TRP H H 8.568 0.003 1 1336 678 117 TRP HA H 5.206 0.008 1 1337 678 117 TRP HB2 H 3.351 0.012 2 1338 678 117 TRP HB3 H 2.973 0.006 2 1339 678 117 TRP HD1 H 7.183 0.01 1 1340 678 117 TRP HE1 H 9.163 0.009 1 1341 678 117 TRP HE3 H 7.059 0.006 1 1342 678 117 TRP HZ2 H 7.020 0.002 1 1343 678 117 TRP HZ3 H 6.689 0.01 1 1344 678 117 TRP HH2 H 6.070 0.011 1 1345 678 117 TRP C C 178.660 0.05 1 1346 678 117 TRP CA C 56.779 0.057 1 1347 678 117 TRP CB C 31.092 0.056 1 1348 678 117 TRP CD1 C 125.856 0.076 1 1349 678 117 TRP CE3 C 120.697 0.054 1 1350 678 117 TRP CZ2 C 113.830 0.034 1 1351 678 117 TRP CZ3 C 121.910 0.025 1 1352 678 117 TRP CH2 C 123.521 0.066 1 1353 678 117 TRP N N 126.188 0.092 1 1354 678 117 TRP NE1 N 128.148 0.027 1 1355 679 118 THR H H 8.413 0.004 1 1356 679 118 THR HA H 4.429 0.006 1 1357 679 118 THR HB H 4.829 0.003 1 1358 679 118 THR HG2 H 1.548 0.006 1 1359 679 118 THR C C 172.949 0.05 1 1360 679 118 THR CA C 62.619 0.078 1 1361 679 118 THR CB C 70.153 0.063 1 1362 679 118 THR CG2 C 22.410 0.044 1 1363 679 118 THR N N 112.428 0.037 1 1364 680 119 THR H H 7.485 0.003 1 1365 680 119 THR HA H 3.852 0.02 1 1366 680 119 THR HB H 3.885 0.004 1 1367 680 119 THR HG2 H 1.295 0.005 1 1368 680 119 THR C C 173.832 0.05 1 1369 680 119 THR CA C 64.229 0.11 1 1370 680 119 THR CB C 70.149 0.089 1 1371 680 119 THR CG2 C 21.664 0.043 1 1372 680 119 THR N N 110.779 0.055 1 1373 681 120 LEU H H 8.107 0.002 1 1374 681 120 LEU HA H 4.027 0.003 1 1375 681 120 LEU HB2 H 1.568 0.009 2 1376 681 120 LEU HB3 H 1.422 0.003 2 1377 681 120 LEU HG H 1.493 0.002 1 1378 681 120 LEU HD1 H 0.389 0.002 2 1379 681 120 LEU HD2 H 0.647 0.005 2 1380 681 120 LEU C C 176.098 0.05 1 1381 681 120 LEU CA C 54.170 0.065 1 1382 681 120 LEU CB C 42.953 0.071 1 1383 681 120 LEU CG C 28.082 0.075 1 1384 681 120 LEU CD1 C 24.881 0.062 2 1385 681 120 LEU CD2 C 25.314 0.036 2 1386 681 120 LEU N N 127.749 0.027 1 1387 682 121 PRO HA H 4.644 0.002 1 1388 682 121 PRO HB2 H 1.518 0.004 2 1389 682 121 PRO HB3 H 2.129 0.006 2 1390 682 121 PRO HG2 H 1.177 0.002 2 1391 682 121 PRO HG3 H 1.835 0.002 2 1392 682 121 PRO HD2 H 2.891 0.002 2 1393 682 121 PRO HD3 H 3.403 0.008 2 1394 682 121 PRO C C 173.009 0.05 1 1395 682 121 PRO CA C 62.220 0.052 1 1396 682 121 PRO CB C 33.118 0.076 1 1397 682 121 PRO CG C 26.307 0.093 1 1398 682 121 PRO CD C 48.724 0.047 1 1399 683 122 VAL H H 7.992 0.001 1 1400 683 122 VAL HA H 4.259 0.001 1 1401 683 122 VAL HB H 1.849 0.002 1 1402 683 122 VAL HG1 H 0.804 0.003 2 1403 683 122 VAL HG2 H 0.868 0.013 2 1404 683 122 VAL C C 174.466 0.05 1 1405 683 122 VAL CA C 60.360 0.053 1 1406 683 122 VAL CB C 35.479 0.108 1 1407 683 122 VAL N N 111.112 0.039 1 1408 684 123 CYS H H 8.688 0.003 1 1409 684 123 CYS HA H 5.428 0.004 1 1410 684 123 CYS HB2 H 2.618 0.01 2 1411 684 123 CYS HB3 H 2.679 0.004 2 1412 684 123 CYS C C 174.630 0.05 1 1413 684 123 CYS CA C 53.504 0.077 1 1414 684 123 CYS CB C 40.481 0.032 1 1415 684 123 CYS N N 122.920 0.047 1 1416 685 124 ILE H H 9.488 0.003 1 1417 685 124 ILE HA H 4.827 0.005 1 1418 685 124 ILE HB H 1.976 0.004 1 1419 685 124 ILE HG12 H 1.173 0.005 2 1420 685 124 ILE HG13 H 1.432 0.005 2 1421 685 124 ILE HG2 H 0.945 0.002 1 1422 685 124 ILE HD1 H 0.828 0.003 1 1423 685 124 ILE C C 175.240 0.05 1 1424 685 124 ILE CA C 59.386 0.061 1 1425 685 124 ILE CB C 41.021 0.111 1 1426 685 124 ILE CG1 C 26.668 0.056 1 1427 685 124 ILE CG2 C 18.072 0.047 1 1428 685 124 ILE CD1 C 13.797 0.094 1 1429 685 124 ILE N N 123.260 0.049 1 1430 686 125 VAL H H 8.389 0.003 1 1431 686 125 VAL HA H 3.571 0.005 1 1432 686 125 VAL HB H 1.846 0.003 1 1433 686 125 VAL HG2 H 0.794 0.001 1 1434 686 125 VAL C C 175.217 0.05 1 1435 686 125 VAL CA C 63.465 0.059 1 1436 686 125 VAL CB C 32.408 0.08 1 1437 686 125 VAL CG2 C 21.550 0.089 1 1438 686 125 VAL N N 124.262 0.038 1 1439 687 126 GLU H H 7.672 0.002 1 1440 687 126 GLU HA H 3.888 0.004 1 1441 687 126 GLU HB2 H 1.629 0.005 2 1442 687 126 GLU HB3 H 1.712 0.003 2 1443 687 126 GLU HG2 H 2.084 0.009 2 1444 687 126 GLU HG3 H 2.043 0.005 2 1445 687 126 GLU C C 174.756 0.05 1 1446 687 126 GLU CA C 58.553 0.068 1 1447 687 126 GLU CB C 30.986 0.05 1 1448 687 126 GLU CG C 36.774 0.081 1 1449 687 126 GLU N N 130.872 0.034 1 stop_ save_