data_15996 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignment of the pair of Factor-I like modules of the complement protein C7 ; _BMRB_accession_number 15996 _BMRB_flat_file_name bmr15996.str _Entry_type original _Submission_date 2008-10-21 _Accession_date 2008-10-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The C-terminus of human complement component C7 comprises two Factor I-like Modules (FIMs) which are essential for formation of the Membrane Attack Complex, the terminal pathway of the innate immune system. C7-FIMs is a 16.9 kDa, recombinant, disulphide-rich, protein encompassing this C-terminal domain. Using conventional triple resonance experiments 93 % of the 1H, 15N and 13C assignment has been achieved, accounting for all assignment apart from a flexible N-terminus cloning artefact and an undefined loop. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Phelan Marie M. . 2 Thai Chuong-Thu . . 3 Herbert Andrew P. . 4 Bella Juraj . . 5 Uhrin Dusan . . 6 Ogata Ronald T. . 7 Barlow Paul N. . 8 Bramham Janice . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 805 "13C chemical shifts" 578 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-20 update BMRB 'added PubMed ID' 2009-05-22 update BMRB 'complete entry citation' 2009-01-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C resonance assignment of the pair of Factor-I like modules of the complement protein C7' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636945 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Phelan Marie M. . 2 Thai Chuong-Thu . . 3 Herbert Andrew P. . 4 Bella Juraj . . 5 Uhrin Dusan . . 6 Ogata Ronald T. . 7 Barlow Paul N. . 8 Bramham Janice . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 49 _Page_last 52 _Year 2009 _Details . loop_ _Keyword C7 complement 'factor I module' FIM 'membrane attack complex' NMR 'resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'complement component C7' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label C7-FIMs $C7-FIMs stop_ _System_molecular_weight 16937.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_C7-FIMs _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C7-FIMs _Molecular_mass 16937.6 _Mol_thiol_state 'all disulfide bound' _Details ; 4 N-terminal residues are vector-derived: G689, S690, H691 and M692. The residues 5 to 155 correspond to residues 693 to 843 within the full length protein. The protein has eighteen cysteines that are shown by mass spectrometry to form nine disulphide bonds. The predicted disulphide bonding pattern has yet to be confirmed experimentally. ; ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; GSHMNPLTQAVPKCQRWEKL QNSRCVCKMPYECGPSLDVC AQDERSKRILPLTVCKMHVL HCQGRNYTLTGRDSCTLPAS AEKACGACPLWGKCDAESSK CVCREASECEEEGFSICVEV NGKEQTMSECEAGALRCRGQ SISVTSIRPCAAETQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 689 GLY 2 690 SER 3 691 HIS 4 692 MET 5 693 ASN 6 694 PRO 7 695 LEU 8 696 THR 9 697 GLN 10 698 ALA 11 699 VAL 12 700 PRO 13 701 LYS 14 702 CYS 15 703 GLN 16 704 ARG 17 705 TRP 18 706 GLU 19 707 LYS 20 708 LEU 21 709 GLN 22 710 ASN 23 711 SER 24 712 ARG 25 713 CYS 26 714 VAL 27 715 CYS 28 716 LYS 29 717 MET 30 718 PRO 31 719 TYR 32 720 GLU 33 721 CYS 34 722 GLY 35 723 PRO 36 724 SER 37 725 LEU 38 726 ASP 39 727 VAL 40 728 CYS 41 729 ALA 42 730 GLN 43 731 ASP 44 732 GLU 45 733 ARG 46 734 SER 47 735 LYS 48 736 ARG 49 737 ILE 50 738 LEU 51 739 PRO 52 740 LEU 53 741 THR 54 742 VAL 55 743 CYS 56 744 LYS 57 745 MET 58 746 HIS 59 747 VAL 60 748 LEU 61 749 HIS 62 750 CYS 63 751 GLN 64 752 GLY 65 753 ARG 66 754 ASN 67 755 TYR 68 756 THR 69 757 LEU 70 758 THR 71 759 GLY 72 760 ARG 73 761 ASP 74 762 SER 75 763 CYS 76 764 THR 77 765 LEU 78 766 PRO 79 767 ALA 80 768 SER 81 769 ALA 82 770 GLU 83 771 LYS 84 772 ALA 85 773 CYS 86 774 GLY 87 775 ALA 88 776 CYS 89 777 PRO 90 778 LEU 91 779 TRP 92 780 GLY 93 781 LYS 94 782 CYS 95 783 ASP 96 784 ALA 97 785 GLU 98 786 SER 99 787 SER 100 788 LYS 101 789 CYS 102 790 VAL 103 791 CYS 104 792 ARG 105 793 GLU 106 794 ALA 107 795 SER 108 796 GLU 109 797 CYS 110 798 GLU 111 799 GLU 112 800 GLU 113 801 GLY 114 802 PHE 115 803 SER 116 804 ILE 117 805 CYS 118 806 VAL 119 807 GLU 120 808 VAL 121 809 ASN 122 810 GLY 123 811 LYS 124 812 GLU 125 813 GLN 126 814 THR 127 815 MET 128 816 SER 129 817 GLU 130 818 CYS 131 819 GLU 132 820 ALA 133 821 GLY 134 822 ALA 135 823 LEU 136 824 ARG 137 825 CYS 138 826 ARG 139 827 GLY 140 828 GLN 141 829 SER 142 830 ILE 143 831 SER 144 832 VAL 145 833 THR 146 834 SER 147 835 ILE 148 836 ARG 149 837 PRO 150 838 CYS 151 839 ALA 152 840 ALA 153 841 GLU 154 842 THR 155 843 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2WCY "Nmr Solution Structure Of Factor I-Like Modules Of Complement C7" 100.00 155 100.00 100.00 2.80e-107 DBJ BAF83038 "unnamed protein product [Homo sapiens]" 97.42 843 100.00 100.00 2.67e-97 DBJ BAG35608 "unnamed protein product [Homo sapiens]" 97.42 843 100.00 100.00 2.41e-97 DBJ BAJ20698 "complement component 7 [synthetic construct]" 97.42 843 100.00 100.00 2.51e-97 EMBL CAA60121 "complement C7 [Homo sapiens]" 82.58 820 100.00 100.00 4.88e-81 EMBL CAH91280 "hypothetical protein [Pongo abelii]" 97.42 843 98.01 99.34 4.37e-95 GB AAA51861 "complement protein C7 precursor [Homo sapiens]" 97.42 843 100.00 100.00 2.94e-97 GB AAH63851 "Complement component 7 [Homo sapiens]" 97.42 843 100.00 100.00 2.51e-97 GB ADR82762 "complement component 7 [synthetic construct]" 97.42 843 100.00 100.00 2.51e-97 GB AIC48386 "C7, partial [synthetic construct]" 97.42 843 100.00 100.00 2.51e-97 GB AKI71774 "C7, partial [synthetic construct]" 97.42 843 100.00 100.00 2.08e-97 REF NP_000578 "complement component C7 precursor [Homo sapiens]" 97.42 843 100.00 100.00 2.51e-97 REF NP_001125756 "complement component C7 precursor [Pongo abelii]" 97.42 843 98.01 99.34 4.37e-95 REF XP_001085533 "PREDICTED: complement component C7-like [Macaca mulatta]" 97.42 843 97.35 99.34 8.65e-95 REF XP_001138984 "PREDICTED: complement component C7 [Pan troglodytes]" 97.42 843 98.68 99.34 3.33e-96 REF XP_003811023 "PREDICTED: complement component C7 isoform X1 [Pan paniscus]" 97.42 843 98.68 99.34 4.20e-96 SP P10643 "RecName: Full=Complement component C7; Flags: Precursor" 97.42 843 100.00 100.00 2.51e-97 SP Q5RAD0 "RecName: Full=Complement component C7; Flags: Precursor" 97.42 843 98.01 99.34 4.37e-95 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $C7-FIMs 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 $C7-FIMs 'recombinant technology' . Escherichia coli 'Origami B' pET15b 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 $C7-FIMs 0.2-0.3 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 20 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 $C7-FIMs 0.2-0.3 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AZARA _Saveframe_category software _Name AZARA _Version . loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . 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 'equipped with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with cryoprobe' 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_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCDCE)HE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 water H 1 protons ppm 4.766 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_ _Software_label $TOPSPIN $AZARA $CCPN_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-TOCSY' '3D HNCO' '3D HN(CA)CO' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name C7-FIMs _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 1 689 1 GLY HA3 H 3.860 0.013 1 2 689 1 GLY CA C 43.260 0.043 1 3 690 2 SER H H 8.661 0.006 1 4 690 2 SER HA H 4.446 0.006 1 5 690 2 SER HB3 H 3.804 0.006 1 6 690 2 SER CA C 58.386 0.066 1 7 690 2 SER CB C 63.976 0.028 1 8 690 2 SER N N 115.723 0.026 1 9 691 3 HIS H H 8.492 0.003 1 10 691 3 HIS HA H 4.690 0.001 1 11 691 3 HIS HB2 H 3.205 0.006 2 12 691 3 HIS HB3 H 3.249 0.001 2 13 691 3 HIS HD2 H 7.197 0.002 1 14 691 3 HIS CA C 55.386 0.041 1 15 691 3 HIS CB C 29.472 0.048 1 16 691 3 HIS CD2 C 120.085 0.011 1 17 691 3 HIS N N 120.283 0.004 1 18 692 4 MET H H 8.250 0.003 1 19 692 4 MET HA H 4.133 0.004 1 20 692 4 MET HB3 H 1.552 0.001 1 21 692 4 MET HE H 2.087 0.001 1 22 692 4 MET CA C 57.209 0.004 1 23 692 4 MET CB C 33.312 0.001 1 24 692 4 MET CE C 16.608 0.001 1 25 692 4 MET N N 127.278 0.029 1 26 693 5 ASN CA C 51.745 0.015 1 27 694 6 PRO HA H 4.307 0.012 1 28 694 6 PRO HB3 H 2.376 0.012 1 29 694 6 PRO HG2 H 2.037 0.021 2 30 694 6 PRO HG3 H 2.490 0.003 2 31 694 6 PRO CA C 59.291 0.062 1 32 694 6 PRO CB C 31.929 0.058 1 33 694 6 PRO CG C 27.825 0.044 1 34 695 7 LEU H H 7.854 0.004 1 35 695 7 LEU HA H 4.063 0.008 1 36 695 7 LEU HB2 H 1.701 0.006 2 37 695 7 LEU HB3 H 1.644 0.005 2 38 695 7 LEU HG H 0.916 0.007 1 39 695 7 LEU CA C 54.722 0.052 1 40 695 7 LEU CB C 42.554 0.100 1 41 695 7 LEU N N 125.525 0.007 1 42 696 8 THR H H 8.652 0.010 1 43 696 8 THR HA H 4.331 0.014 1 44 696 8 THR HB H 4.080 0.004 1 45 696 8 THR HG2 H 1.173 0.014 1 46 696 8 THR C C 178.241 0.001 1 47 696 8 THR CA C 62.040 0.023 1 48 696 8 THR CB C 69.801 0.040 1 49 696 8 THR CG2 C 21.492 0.102 1 50 696 8 THR N N 119.051 0.031 1 51 697 9 GLN H H 8.523 0.002 1 52 697 9 GLN HA H 4.314 0.018 1 53 697 9 GLN HB2 H 2.044 0.003 2 54 697 9 GLN HB3 H 1.934 0.013 2 55 697 9 GLN HE21 H 6.851 0.005 1 56 697 9 GLN HE22 H 7.521 0.010 1 57 697 9 GLN HG2 H 2.316 0.020 2 58 697 9 GLN HG3 H 2.300 0.001 2 59 697 9 GLN C C 176.838 0.014 1 60 697 9 GLN CA C 55.494 0.014 1 61 697 9 GLN CB C 29.733 0.093 1 62 697 9 GLN CG C 33.618 0.050 1 63 697 9 GLN N N 124.287 0.025 1 64 697 9 GLN NE2 N 112.488 0.111 1 65 698 10 ALA H H 8.410 0.002 1 66 698 10 ALA HA H 4.295 0.007 1 67 698 10 ALA HB H 1.350 0.046 1 68 698 10 ALA C C 174.657 0.034 1 69 698 10 ALA CA C 52.258 0.033 1 70 698 10 ALA CB C 18.954 0.165 1 71 698 10 ALA N N 126.594 0.035 1 72 699 11 VAL H H 8.134 0.003 1 73 699 11 VAL HA H 4.355 0.016 1 74 699 11 VAL HB H 1.979 0.012 1 75 699 11 VAL HG1 H 0.943 0.012 2 76 699 11 VAL HG2 H 0.886 0.003 2 77 699 11 VAL C C 177.762 0.001 1 78 699 11 VAL CA C 59.646 0.131 1 79 699 11 VAL CB C 32.621 0.140 1 80 699 11 VAL CG1 C 21.263 0.043 2 81 699 11 VAL CG2 C 20.150 0.067 2 82 699 11 VAL N N 121.225 0.058 1 83 700 12 PRO HA H 4.299 0.007 1 84 700 12 PRO HB2 H 1.783 0.005 2 85 700 12 PRO HB3 H 2.161 0.003 2 86 700 12 PRO HD2 H 3.754 0.005 2 87 700 12 PRO HD3 H 3.524 0.005 2 88 700 12 PRO HG2 H 1.906 0.007 2 89 700 12 PRO HG3 H 1.934 0.003 2 90 700 12 PRO C C 176.810 0.005 1 91 700 12 PRO CA C 62.883 0.099 1 92 700 12 PRO CB C 32.237 0.108 1 93 700 12 PRO CD C 50.931 0.052 1 94 700 12 PRO CG C 27.312 0.046 1 95 701 13 LYS H H 8.138 0.004 1 96 701 13 LYS HA H 4.228 0.007 1 97 701 13 LYS HB2 H 1.614 0.017 2 98 701 13 LYS HB3 H 1.683 0.007 2 99 701 13 LYS HD2 H 1.607 0.001 2 100 701 13 LYS HD3 H 1.592 0.007 2 101 701 13 LYS HE2 H 2.899 0.012 2 102 701 13 LYS HE3 H 2.900 0.001 2 103 701 13 LYS HG2 H 1.276 0.004 2 104 701 13 LYS HG3 H 1.360 0.005 2 105 701 13 LYS C C 175.650 0.007 1 106 701 13 LYS CA C 55.441 0.085 1 107 701 13 LYS CB C 32.814 0.054 1 108 701 13 LYS CD C 28.979 0.079 1 109 701 13 LYS CE C 41.954 0.150 1 110 701 13 LYS CG C 24.639 0.044 1 111 701 13 LYS N N 120.547 0.022 1 112 702 14 CYS H H 8.209 0.007 1 113 702 14 CYS HA H 4.809 0.013 1 114 702 14 CYS HB2 H 2.317 0.007 2 115 702 14 CYS HB3 H 3.256 0.008 2 116 702 14 CYS C C 176.437 0.003 1 117 702 14 CYS CA C 52.035 0.064 1 118 702 14 CYS CB C 36.297 0.105 1 119 702 14 CYS N N 121.506 0.065 1 120 703 15 GLN H H 8.926 0.006 1 121 703 15 GLN HA H 3.830 0.006 1 122 703 15 GLN HB2 H -0.164 0.003 2 123 703 15 GLN HB3 H 0.273 0.006 2 124 703 15 GLN HE21 H 6.807 0.002 1 125 703 15 GLN HE22 H 7.599 0.001 1 126 703 15 GLN HG2 H 2.099 0.007 2 127 703 15 GLN HG3 H 2.089 0.002 2 128 703 15 GLN C C 174.422 0.011 1 129 703 15 GLN CA C 54.493 0.061 1 130 703 15 GLN CB C 26.722 0.085 1 131 703 15 GLN CG C 32.596 0.088 1 132 703 15 GLN N N 119.527 0.053 1 133 703 15 GLN NE2 N 113.158 0.025 1 134 704 16 ARG H H 8.575 0.005 1 135 704 16 ARG HA H 3.827 0.006 1 136 704 16 ARG HB2 H 1.464 0.001 2 137 704 16 ARG HB3 H 1.465 0.008 2 138 704 16 ARG HD2 H 2.326 0.012 2 139 704 16 ARG HD3 H 2.099 0.011 2 140 704 16 ARG HE H 6.993 0.003 1 141 704 16 ARG HG2 H 1.320 0.009 2 142 704 16 ARG HG3 H 1.476 0.010 2 143 704 16 ARG C C 175.919 0.022 1 144 704 16 ARG CA C 59.245 0.029 1 145 704 16 ARG CB C 30.586 0.104 1 146 704 16 ARG CD C 42.085 0.064 1 147 704 16 ARG CG C 28.266 0.059 1 148 704 16 ARG N N 119.098 0.040 1 149 704 16 ARG NE N 83.976 0.031 1 150 705 17 TRP H H 6.353 0.005 1 151 705 17 TRP HA H 4.778 0.024 1 152 705 17 TRP HB2 H 3.772 0.010 2 153 705 17 TRP HB3 H 3.027 0.010 2 154 705 17 TRP HD1 H 7.299 0.014 1 155 705 17 TRP HE1 H 10.911 0.001 1 156 705 17 TRP HE3 H 7.455 0.009 1 157 705 17 TRP HH2 H 7.310 0.004 1 158 705 17 TRP HZ2 H 7.586 0.005 1 159 705 17 TRP HZ3 H 7.187 0.032 1 160 705 17 TRP C C 179.354 0.023 1 161 705 17 TRP CA C 56.878 0.110 1 162 705 17 TRP CB C 28.121 0.048 1 163 705 17 TRP CD1 C 127.818 0.065 1 164 705 17 TRP CE3 C 119.195 0.072 1 165 705 17 TRP CH2 C 125.757 0.024 1 166 705 17 TRP CZ2 C 115.612 0.050 1 167 705 17 TRP CZ3 C 123.393 0.080 1 168 705 17 TRP N N 110.847 0.032 1 169 705 17 TRP NE1 N 132.744 0.024 1 170 706 18 GLU H H 7.356 0.007 1 171 706 18 GLU HA H 5.161 0.007 1 172 706 18 GLU HB2 H 1.693 0.015 2 173 706 18 GLU HB3 H 1.941 0.005 2 174 706 18 GLU HG2 H 1.489 0.008 2 175 706 18 GLU HG3 H 1.813 0.011 2 176 706 18 GLU C C 177.749 0.004 1 177 706 18 GLU CA C 53.998 0.064 1 178 706 18 GLU CB C 35.650 0.099 1 179 706 18 GLU CG C 36.885 0.080 1 180 706 18 GLU N N 120.493 0.044 1 181 707 19 LYS H H 9.307 0.003 1 182 707 19 LYS HA H 4.580 0.010 1 183 707 19 LYS HB2 H 1.757 0.010 2 184 707 19 LYS HB3 H 1.553 0.012 2 185 707 19 LYS HG2 H 1.035 0.009 2 186 707 19 LYS HG3 H 0.871 0.007 2 187 707 19 LYS C C 178.467 0.022 1 188 707 19 LYS CA C 53.731 0.084 1 189 707 19 LYS CB C 35.972 0.067 1 190 707 19 LYS CG C 23.710 0.092 1 191 707 19 LYS N N 115.630 0.031 1 192 708 20 LEU H H 8.367 0.004 1 193 708 20 LEU HA H 4.629 0.012 1 194 708 20 LEU HB2 H 1.585 0.006 2 195 708 20 LEU HB3 H 1.373 0.006 2 196 708 20 LEU HD1 H 0.732 0.007 2 197 708 20 LEU HD2 H 0.658 0.004 2 198 708 20 LEU HG H 1.361 0.004 1 199 708 20 LEU C C 174.513 0.009 1 200 708 20 LEU CA C 54.686 0.089 1 201 708 20 LEU CB C 42.937 0.055 1 202 708 20 LEU CD1 C 25.686 0.063 2 203 708 20 LEU CD2 C 24.067 0.076 2 204 708 20 LEU CG C 27.253 0.067 1 205 708 20 LEU N N 122.948 0.024 1 206 709 21 GLN H H 9.438 0.005 1 207 709 21 GLN HA H 4.447 0.008 1 208 709 21 GLN HB2 H 1.716 0.005 2 209 709 21 GLN HB3 H 1.968 0.013 2 210 709 21 GLN HE21 H 6.915 0.003 1 211 709 21 GLN HE22 H 7.560 0.002 1 212 709 21 GLN HG2 H 2.091 0.006 2 213 709 21 GLN HG3 H 2.240 0.020 2 214 709 21 GLN C C 176.790 0.004 1 215 709 21 GLN CA C 55.659 0.068 1 216 709 21 GLN CB C 32.839 0.108 1 217 709 21 GLN CG C 34.206 0.112 1 218 709 21 GLN N N 127.549 0.027 1 219 709 21 GLN NE2 N 111.737 0.049 1 220 710 22 ASN H H 9.555 0.006 1 221 710 22 ASN HA H 4.312 0.009 1 222 710 22 ASN HB2 H 2.775 0.004 2 223 710 22 ASN HB3 H 3.008 0.009 2 224 710 22 ASN HD21 H 6.947 0.001 1 225 710 22 ASN HD22 H 7.611 0.006 1 226 710 22 ASN C C 177.415 0.001 1 227 710 22 ASN CA C 55.069 0.114 1 228 710 22 ASN CB C 37.200 0.109 1 229 710 22 ASN N N 127.004 0.050 1 230 710 22 ASN ND2 N 112.954 0.057 1 231 711 23 SER H H 8.697 0.007 1 232 711 23 SER HA H 3.822 0.006 1 233 711 23 SER HB2 H 4.054 0.016 2 234 711 23 SER HB3 H 4.104 0.007 2 235 711 23 SER C C 179.888 0.001 1 236 711 23 SER CA C 60.065 0.082 1 237 711 23 SER CB C 62.304 0.095 1 238 711 23 SER N N 106.988 0.027 1 239 712 24 ARG H H 7.733 0.003 1 240 712 24 ARG HA H 4.623 0.014 1 241 712 24 ARG HB2 H 1.793 0.010 2 242 712 24 ARG HB3 H 1.730 0.011 2 243 712 24 ARG HD2 H 3.167 0.003 2 244 712 24 ARG HD3 H 3.176 0.001 2 245 712 24 ARG HE H 7.102 0.002 1 246 712 24 ARG HG2 H 1.626 0.012 2 247 712 24 ARG HG3 H 1.589 0.014 2 248 712 24 ARG C C 177.828 0.003 1 249 712 24 ARG CA C 53.924 0.101 1 250 712 24 ARG CB C 33.398 0.079 1 251 712 24 ARG CD C 43.428 0.094 1 252 712 24 ARG CG C 26.684 0.101 1 253 712 24 ARG N N 118.862 0.038 1 254 712 24 ARG NE N 84.987 0.015 1 255 713 25 CYS H H 8.704 0.004 1 256 713 25 CYS HA H 5.060 0.007 1 257 713 25 CYS HB2 H 2.665 0.005 2 258 713 25 CYS HB3 H 2.580 0.008 2 259 713 25 CYS C C 177.077 0.001 1 260 713 25 CYS CA C 54.609 0.078 1 261 713 25 CYS CB C 39.911 0.083 1 262 713 25 CYS N N 120.349 0.048 1 263 714 26 VAL H H 9.278 0.005 1 264 714 26 VAL HA H 4.833 0.013 1 265 714 26 VAL HB H 2.300 0.003 1 266 714 26 VAL HG1 H 0.711 0.002 2 267 714 26 VAL HG2 H 0.884 0.007 2 268 714 26 VAL C C 176.554 0.005 1 269 714 26 VAL CA C 58.780 0.064 1 270 714 26 VAL CB C 35.193 0.071 1 271 714 26 VAL CG1 C 19.127 0.042 2 272 714 26 VAL CG2 C 21.464 0.096 2 273 714 26 VAL N N 119.530 0.038 1 274 715 27 CYS H H 8.502 0.005 1 275 715 27 CYS HA H 4.689 0.004 1 276 715 27 CYS HB2 H 3.544 0.011 2 277 715 27 CYS HB3 H 2.792 0.012 2 278 715 27 CYS C C 175.359 0.030 1 279 715 27 CYS CA C 55.720 0.063 1 280 715 27 CYS CB C 38.535 0.058 1 281 715 27 CYS N N 117.712 0.043 1 282 716 28 LYS H H 8.324 0.009 1 283 716 28 LYS HA H 3.946 0.006 1 284 716 28 LYS HB2 H 1.455 0.011 2 285 716 28 LYS HB3 H 1.876 0.014 2 286 716 28 LYS HE2 H 2.958 0.001 2 287 716 28 LYS HE3 H 2.935 0.001 2 288 716 28 LYS C C 176.990 0.001 1 289 716 28 LYS CA C 57.971 0.071 1 290 716 28 LYS CB C 34.319 0.065 1 291 716 28 LYS N N 120.511 0.043 1 292 717 29 MET H H 8.676 0.004 1 293 717 29 MET HA H 4.752 0.009 1 294 717 29 MET HB2 H 1.343 0.008 2 295 717 29 MET HB3 H 1.032 0.006 2 296 717 29 MET HE H 2.162 0.009 1 297 717 29 MET HG2 H 2.750 0.007 2 298 717 29 MET HG3 H 2.413 0.010 2 299 717 29 MET C C 174.075 0.001 1 300 717 29 MET CA C 52.038 0.043 1 301 717 29 MET CB C 31.800 0.074 1 302 717 29 MET CE C 17.437 0.028 1 303 717 29 MET CG C 32.511 0.083 1 304 717 29 MET N N 114.327 0.031 1 305 718 30 PRO HA H 3.872 0.002 1 306 718 30 PRO HB2 H 2.144 0.001 2 307 718 30 PRO HB3 H 2.323 0.002 2 308 718 30 PRO HG2 H 1.996 0.001 2 309 718 30 PRO HG3 H 2.056 0.001 2 310 718 30 PRO C C 174.871 0.001 1 311 718 30 PRO CA C 66.865 0.071 1 312 718 30 PRO CB C 31.114 0.046 1 313 719 31 TYR H H 6.640 0.006 1 314 719 31 TYR HA H 4.526 0.004 1 315 719 31 TYR HB2 H 2.913 0.006 2 316 719 31 TYR HB3 H 3.371 0.006 2 317 719 31 TYR HD1 H 7.053 0.005 3 318 719 31 TYR HD2 H 7.053 0.005 3 319 719 31 TYR HE1 H 6.842 0.008 3 320 719 31 TYR HE2 H 6.842 0.008 3 321 719 31 TYR C C 176.088 0.011 1 322 719 31 TYR CA C 57.504 0.111 1 323 719 31 TYR CB C 36.118 0.046 1 324 719 31 TYR CD1 C 133.677 0.054 3 325 719 31 TYR CD2 C 133.677 0.054 3 326 719 31 TYR CE1 C 118.967 0.051 3 327 719 31 TYR CE2 C 118.967 0.051 3 328 719 31 TYR N N 109.208 0.037 1 329 720 32 GLU H H 7.709 0.004 1 330 720 32 GLU HA H 4.221 0.007 1 331 720 32 GLU HB2 H 2.104 0.006 2 332 720 32 GLU HB3 H 2.116 0.005 2 333 720 32 GLU C C 174.437 0.009 1 334 720 32 GLU CA C 56.393 0.078 1 335 720 32 GLU CB C 29.833 0.097 1 336 720 32 GLU N N 119.905 0.021 1 337 721 33 CYS H H 7.332 0.006 1 338 721 33 CYS HA H 4.332 0.005 1 339 721 33 CYS HB2 H 3.224 0.011 2 340 721 33 CYS HB3 H 3.353 0.009 2 341 721 33 CYS C C 176.384 0.001 1 342 721 33 CYS CA C 60.410 0.096 1 343 721 33 CYS CB C 42.826 0.092 1 344 721 33 CYS N N 118.265 0.036 1 345 722 34 GLY H H 8.507 0.005 1 346 722 34 GLY HA2 H 3.814 0.007 2 347 722 34 GLY HA3 H 4.298 0.005 2 348 722 34 GLY C C 171.931 0.001 1 349 722 34 GLY CA C 43.668 0.050 1 350 722 34 GLY N N 111.618 0.017 1 351 723 35 PRO HA H 4.345 0.007 1 352 723 35 PRO HB2 H 1.626 0.008 2 353 723 35 PRO HB3 H 1.873 0.004 2 354 723 35 PRO HD2 H 3.193 0.001 1 355 723 35 PRO C C 175.631 0.001 1 356 723 35 PRO CA C 64.047 0.111 1 357 723 35 PRO CB C 31.805 0.081 1 358 724 36 SER H H 8.081 0.004 1 359 724 36 SER HA H 4.996 0.008 1 360 724 36 SER HB2 H 4.207 0.007 2 361 724 36 SER HB3 H 3.470 0.007 2 362 724 36 SER C C 179.159 0.006 1 363 724 36 SER CA C 55.291 0.078 1 364 724 36 SER CB C 63.583 0.080 1 365 724 36 SER N N 117.870 0.046 1 366 725 37 LEU H H 9.273 0.006 1 367 725 37 LEU HA H 4.192 0.008 1 368 725 37 LEU HB2 H 1.489 0.008 2 369 725 37 LEU HB3 H 1.741 0.006 2 370 725 37 LEU HD1 H 0.540 0.007 2 371 725 37 LEU HD2 H 0.514 0.006 2 372 725 37 LEU HG H 1.698 0.026 1 373 725 37 LEU C C 176.185 0.063 1 374 725 37 LEU CA C 56.732 0.081 1 375 725 37 LEU CB C 43.576 0.075 1 376 725 37 LEU CD1 C 24.894 0.047 2 377 725 37 LEU CD2 C 26.135 0.050 2 378 725 37 LEU N N 127.648 0.042 1 379 726 38 ASP H H 8.147 0.005 1 380 726 38 ASP HA H 5.030 0.011 1 381 726 38 ASP HB2 H 2.745 0.006 2 382 726 38 ASP HB3 H 2.415 0.008 2 383 726 38 ASP C C 176.909 0.001 1 384 726 38 ASP CA C 54.637 0.051 1 385 726 38 ASP CB C 42.786 0.099 1 386 726 38 ASP N N 122.306 0.069 1 387 727 39 VAL H H 8.075 0.006 1 388 727 39 VAL HA H 4.447 0.007 1 389 727 39 VAL HB H 2.031 0.006 1 390 727 39 VAL HG1 H 0.320 0.007 2 391 727 39 VAL HG2 H 0.689 0.012 2 392 727 39 VAL C C 178.435 0.093 1 393 727 39 VAL CA C 59.366 0.077 1 394 727 39 VAL CB C 36.032 0.073 1 395 727 39 VAL CG1 C 18.096 0.053 2 396 727 39 VAL CG2 C 22.949 0.075 2 397 727 39 VAL N N 113.926 0.039 1 398 728 40 CYS H H 8.425 0.007 1 399 728 40 CYS HA H 4.968 0.007 1 400 728 40 CYS HB2 H 2.407 0.007 2 401 728 40 CYS HB3 H 2.559 0.010 2 402 728 40 CYS C C 178.392 0.076 1 403 728 40 CYS CA C 52.952 0.061 1 404 728 40 CYS CB C 39.864 0.072 1 405 728 40 CYS N N 120.146 0.069 1 406 729 41 ALA H H 8.678 0.005 1 407 729 41 ALA HA H 5.139 0.012 1 408 729 41 ALA HB H 1.274 0.015 1 409 729 41 ALA C C 177.786 0.001 1 410 729 41 ALA CA C 50.865 0.067 1 411 729 41 ALA CB C 24.473 0.084 1 412 729 41 ALA N N 123.668 0.030 1 413 730 42 GLN H H 9.383 0.003 1 414 730 42 GLN HA H 5.106 0.005 1 415 730 42 GLN HB2 H 1.563 0.007 2 416 730 42 GLN HB3 H 1.950 0.007 2 417 730 42 GLN HE21 H 6.932 0.004 1 418 730 42 GLN HE22 H 7.439 0.002 1 419 730 42 GLN HG2 H 1.721 0.015 2 420 730 42 GLN HG3 H 1.788 0.006 2 421 730 42 GLN C C 176.572 0.006 1 422 730 42 GLN CA C 53.497 0.043 1 423 730 42 GLN CB C 32.560 0.059 1 424 730 42 GLN CG C 33.741 0.103 1 425 730 42 GLN N N 119.159 0.026 1 426 730 42 GLN NE2 N 112.172 0.060 1 427 731 43 ASP H H 8.581 0.008 1 428 731 43 ASP HA H 3.462 0.007 1 429 731 43 ASP HB2 H 2.433 0.013 2 430 731 43 ASP HB3 H 2.814 0.009 2 431 731 43 ASP C C 174.850 0.001 1 432 731 43 ASP CA C 53.340 0.087 1 433 731 43 ASP CB C 42.078 0.105 1 434 731 43 ASP N N 127.677 0.032 1 435 732 44 GLU H H 8.086 0.003 1 436 732 44 GLU HA H 3.907 0.003 1 437 732 44 GLU HB2 H 1.789 0.006 2 438 732 44 GLU HB3 H 1.959 0.008 2 439 732 44 GLU HG2 H 2.104 0.001 2 440 732 44 GLU HG3 H 2.112 0.008 2 441 732 44 GLU C C 174.926 0.009 1 442 732 44 GLU CA C 58.953 0.044 1 443 732 44 GLU CB C 29.794 0.098 1 444 732 44 GLU CG C 36.173 0.038 1 445 732 44 GLU N N 127.949 0.034 1 446 733 45 ARG H H 8.215 0.003 1 447 733 45 ARG HA H 4.221 0.004 1 448 733 45 ARG HB2 H 1.905 0.001 2 449 733 45 ARG HB3 H 1.880 0.005 2 450 733 45 ARG HD2 H 3.190 0.001 2 451 733 45 ARG HD3 H 3.180 0.005 2 452 733 45 ARG HE H 7.273 0.002 1 453 733 45 ARG HG2 H 1.573 0.013 2 454 733 45 ARG HG3 H 1.652 0.010 2 455 733 45 ARG C C 174.808 0.018 1 456 733 45 ARG CA C 57.992 0.084 1 457 733 45 ARG CB C 30.243 0.065 1 458 733 45 ARG CD C 43.284 0.063 1 459 733 45 ARG CG C 26.873 0.125 1 460 733 45 ARG N N 117.187 0.024 1 461 733 45 ARG NE N 84.502 0.008 1 462 734 46 SER H H 7.654 0.004 1 463 734 46 SER HA H 4.318 0.007 1 464 734 46 SER HB2 H 3.984 0.005 2 465 734 46 SER HB3 H 3.772 0.014 2 466 734 46 SER C C 176.602 0.001 1 467 734 46 SER CA C 59.029 0.076 1 468 734 46 SER CB C 65.182 0.101 1 469 734 46 SER N N 112.524 0.020 1 470 735 47 LYS H H 8.074 0.005 1 471 735 47 LYS HA H 3.852 0.013 1 472 735 47 LYS HB2 H 2.261 0.009 2 473 735 47 LYS HB3 H 1.906 0.008 2 474 735 47 LYS HD2 H 1.395 0.013 2 475 735 47 LYS HD3 H 1.492 0.010 2 476 735 47 LYS HE2 H 2.899 0.002 2 477 735 47 LYS HE3 H 2.940 0.003 2 478 735 47 LYS HG2 H 1.155 0.003 2 479 735 47 LYS HG3 H 1.345 0.010 2 480 735 47 LYS C C 176.250 0.002 1 481 735 47 LYS CA C 57.220 0.059 1 482 735 47 LYS CB C 29.075 0.076 1 483 735 47 LYS CD C 28.099 0.076 1 484 735 47 LYS CE C 42.244 0.122 1 485 735 47 LYS CG C 24.580 0.048 1 486 735 47 LYS N N 115.307 0.030 1 487 736 48 ARG H H 7.785 0.005 1 488 736 48 ARG HA H 4.236 0.006 1 489 736 48 ARG HB2 H 1.657 0.013 2 490 736 48 ARG HB3 H 1.738 0.008 2 491 736 48 ARG HD2 H 3.217 0.008 2 492 736 48 ARG HD3 H 3.198 0.002 2 493 736 48 ARG HE H 7.228 0.002 1 494 736 48 ARG HG2 H 1.585 0.008 2 495 736 48 ARG HG3 H 1.658 0.004 2 496 736 48 ARG C C 176.943 0.001 1 497 736 48 ARG CA C 56.849 0.084 1 498 736 48 ARG CB C 31.325 0.058 1 499 736 48 ARG CD C 43.355 0.093 1 500 736 48 ARG CG C 27.708 0.089 1 501 736 48 ARG N N 121.199 0.019 1 502 736 48 ARG NE N 84.562 0.028 1 503 737 49 ILE H H 8.522 0.004 1 504 737 49 ILE HA H 4.901 0.007 1 505 737 49 ILE HB H 1.663 0.007 1 506 737 49 ILE HD1 H 0.907 0.008 1 507 737 49 ILE HG12 H 1.746 0.017 2 508 737 49 ILE HG13 H 1.755 0.002 2 509 737 49 ILE HG2 H 0.726 0.009 1 510 737 49 ILE C C 176.118 0.001 1 511 737 49 ILE CA C 60.704 0.043 1 512 737 49 ILE CB C 38.571 0.064 1 513 737 49 ILE CD1 C 13.567 0.053 1 514 737 49 ILE CG1 C 28.597 0.073 1 515 737 49 ILE CG2 C 18.293 0.103 1 516 737 49 ILE N N 123.998 0.037 1 517 738 50 LEU H H 9.480 0.005 1 518 738 50 LEU HA H 4.979 0.009 1 519 738 50 LEU HB2 H 1.497 0.004 2 520 738 50 LEU HB3 H 1.640 0.006 2 521 738 50 LEU HD1 H 0.905 0.010 2 522 738 50 LEU HD2 H 0.950 0.006 2 523 738 50 LEU HG H 1.597 0.019 1 524 738 50 LEU C C 179.088 0.001 1 525 738 50 LEU CA C 52.790 0.055 1 526 738 50 LEU CB C 43.974 0.061 1 527 738 50 LEU CD1 C 26.267 0.050 2 528 738 50 LEU CD2 C 24.815 0.068 2 529 738 50 LEU CG C 27.163 0.106 1 530 738 50 LEU N N 129.755 0.033 1 531 739 51 PRO HA H 4.994 0.007 1 532 739 51 PRO HB2 H 2.101 0.008 2 533 739 51 PRO HB3 H 2.074 0.003 2 534 739 51 PRO HD2 H 3.699 0.013 2 535 739 51 PRO HD3 H 3.706 0.001 2 536 739 51 PRO HG2 H 2.261 0.001 2 537 739 51 PRO HG3 H 2.263 0.007 2 538 739 51 PRO C C 175.632 0.001 1 539 739 51 PRO CA C 62.233 0.049 1 540 739 51 PRO CB C 31.480 0.048 1 541 739 51 PRO CD C 50.309 0.075 1 542 739 51 PRO CG C 27.558 0.067 1 543 740 52 LEU H H 9.059 0.004 1 544 740 52 LEU HA H 4.791 0.005 1 545 740 52 LEU HB2 H 1.304 0.005 2 546 740 52 LEU HB3 H 1.179 0.010 2 547 740 52 LEU HD1 H 0.619 0.018 2 548 740 52 LEU HD2 H 0.258 0.011 2 549 740 52 LEU HG H 1.407 0.004 1 550 740 52 LEU C C 175.255 0.008 1 551 740 52 LEU CA C 52.749 0.046 1 552 740 52 LEU CB C 46.958 0.061 1 553 740 52 LEU CD1 C 23.966 0.039 2 554 740 52 LEU CD2 C 26.153 0.044 2 555 740 52 LEU CG C 27.292 0.067 1 556 740 52 LEU N N 126.715 0.023 1 557 741 53 THR H H 6.743 0.005 1 558 741 53 THR HA H 5.516 0.008 1 559 741 53 THR HB H 4.243 0.006 1 560 741 53 THR HG2 H 1.204 0.019 1 561 741 53 THR C C 177.312 0.021 1 562 741 53 THR CA C 58.906 0.075 1 563 741 53 THR CB C 72.870 0.084 1 564 741 53 THR CG2 C 21.832 0.078 1 565 741 53 THR N N 107.895 0.035 1 566 742 54 VAL H H 8.398 0.007 1 567 742 54 VAL HA H 3.214 0.009 1 568 742 54 VAL HB H 2.338 0.006 1 569 742 54 VAL HG1 H 1.039 0.003 2 570 742 54 VAL HG2 H 0.674 0.017 2 571 742 54 VAL C C 174.889 0.021 1 572 742 54 VAL CA C 67.895 0.094 1 573 742 54 VAL CB C 31.577 0.032 1 574 742 54 VAL CG1 C 23.518 0.089 2 575 742 54 VAL CG2 C 21.583 0.065 2 576 742 54 VAL N N 123.026 0.058 1 577 743 55 CYS H H 9.582 0.004 1 578 743 55 CYS HA H 4.089 0.007 1 579 743 55 CYS HB2 H 2.909 0.009 2 580 743 55 CYS HB3 H 3.864 0.010 2 581 743 55 CYS C C 175.874 0.001 1 582 743 55 CYS CA C 61.071 0.103 1 583 743 55 CYS CB C 39.778 0.047 1 584 743 55 CYS N N 118.488 0.043 1 585 744 56 LYS H H 7.833 0.006 1 586 744 56 LYS HA H 3.729 0.017 1 587 744 56 LYS HB2 H 1.612 0.011 2 588 744 56 LYS HB3 H 1.618 0.001 2 589 744 56 LYS HD2 H 2.013 0.005 2 590 744 56 LYS HD3 H 2.111 0.024 2 591 744 56 LYS HE2 H 2.303 0.011 2 592 744 56 LYS HE3 H 2.397 0.001 2 593 744 56 LYS C C 173.843 0.019 1 594 744 56 LYS CA C 60.845 0.075 1 595 744 56 LYS CB C 33.400 0.084 1 596 744 56 LYS CD C 29.602 0.046 1 597 744 56 LYS CE C 36.149 0.060 1 598 744 56 LYS N N 118.525 0.042 1 599 745 57 MET H H 8.145 0.008 1 600 745 57 MET HA H 3.695 0.010 1 601 745 57 MET HB2 H 1.886 0.010 2 602 745 57 MET HB3 H 2.322 0.010 2 603 745 57 MET HE H 1.699 0.013 1 604 745 57 MET HG2 H 1.727 0.015 2 605 745 57 MET HG3 H 1.976 0.006 2 606 745 57 MET C C 172.738 0.007 1 607 745 57 MET CA C 60.064 0.058 1 608 745 57 MET CB C 33.794 0.081 1 609 745 57 MET CE C 16.863 0.025 1 610 745 57 MET CG C 32.873 0.117 1 611 745 57 MET N N 116.959 0.017 1 612 746 58 HIS H H 7.596 0.008 1 613 746 58 HIS HA H 3.813 0.013 1 614 746 58 HIS HB2 H 2.470 0.006 2 615 746 58 HIS HB3 H 2.966 0.011 2 616 746 58 HIS HD2 H 5.806 0.007 1 617 746 58 HIS C C 173.032 0.007 1 618 746 58 HIS CA C 60.949 0.069 1 619 746 58 HIS CB C 31.361 0.080 1 620 746 58 HIS CD2 C 118.141 0.095 1 621 746 58 HIS N N 119.396 0.037 1 622 747 59 VAL H H 8.486 0.005 1 623 747 59 VAL HA H 3.776 0.011 1 624 747 59 VAL HB H 2.166 0.009 1 625 747 59 VAL HG1 H 1.202 0.007 2 626 747 59 VAL HG2 H 0.788 0.011 2 627 747 59 VAL C C 173.929 0.007 1 628 747 59 VAL CA C 67.440 0.076 1 629 747 59 VAL CB C 31.619 0.076 1 630 747 59 VAL CG1 C 24.352 0.048 2 631 747 59 VAL CG2 C 22.870 0.039 2 632 747 59 VAL N N 121.271 0.036 1 633 748 60 LEU H H 8.837 0.006 1 634 748 60 LEU HA H 4.013 0.010 1 635 748 60 LEU HB2 H 1.581 0.016 2 636 748 60 LEU HB3 H 1.746 0.014 2 637 748 60 LEU HD1 H 0.852 0.003 2 638 748 60 LEU HD2 H 0.329 0.004 2 639 748 60 LEU C C 172.722 0.026 1 640 748 60 LEU CA C 58.656 0.067 1 641 748 60 LEU CB C 40.320 0.076 1 642 748 60 LEU CD1 C 22.861 0.067 2 643 748 60 LEU CD2 C 25.223 0.061 2 644 748 60 LEU N N 121.390 0.040 1 645 749 61 HIS H H 7.935 0.005 1 646 749 61 HIS HA H 4.351 0.009 1 647 749 61 HIS HB2 H 3.139 0.015 2 648 749 61 HIS HB3 H 3.263 0.012 2 649 749 61 HIS HD2 H 7.189 0.019 1 650 749 61 HIS C C 173.239 0.021 1 651 749 61 HIS CA C 59.499 0.093 1 652 749 61 HIS CB C 27.719 0.108 1 653 749 61 HIS CD2 C 120.693 0.068 1 654 749 61 HIS N N 118.062 0.048 1 655 750 62 CYS H H 7.999 0.005 1 656 750 62 CYS HA H 4.161 0.005 1 657 750 62 CYS HB2 H 3.055 0.011 2 658 750 62 CYS HB3 H 4.083 0.015 2 659 750 62 CYS C C 175.640 0.009 1 660 750 62 CYS CA C 60.177 0.050 1 661 750 62 CYS CB C 36.968 0.076 1 662 750 62 CYS N N 122.566 0.051 1 663 751 63 GLN H H 7.730 0.008 1 664 751 63 GLN HA H 4.262 0.011 1 665 751 63 GLN HB2 H 2.412 0.006 2 666 751 63 GLN HB3 H 2.254 0.009 2 667 751 63 GLN HE21 H 6.498 0.003 1 668 751 63 GLN HE22 H 7.398 0.002 1 669 751 63 GLN HG2 H 2.486 0.005 2 670 751 63 GLN HG3 H 2.749 0.010 2 671 751 63 GLN C C 176.146 0.009 1 672 751 63 GLN CA C 56.608 0.075 1 673 751 63 GLN CB C 29.113 0.079 1 674 751 63 GLN CG C 33.704 0.083 1 675 751 63 GLN N N 116.285 0.038 1 676 751 63 GLN NE2 N 110.004 0.043 1 677 752 64 GLY H H 7.808 0.005 1 678 752 64 GLY HA2 H 3.705 0.005 2 679 752 64 GLY HA3 H 4.204 0.007 2 680 752 64 GLY C C 177.793 0.007 1 681 752 64 GLY CA C 45.462 0.054 1 682 752 64 GLY N N 107.374 0.034 1 683 753 65 ARG H H 8.153 0.005 1 684 753 65 ARG HA H 4.480 0.009 1 685 753 65 ARG HB2 H 1.745 0.007 2 686 753 65 ARG HB3 H 1.900 0.014 2 687 753 65 ARG HD2 H 3.194 0.001 2 688 753 65 ARG HD3 H 3.195 0.008 2 689 753 65 ARG HE H 7.410 0.004 1 690 753 65 ARG HG2 H 1.595 0.014 2 691 753 65 ARG HG3 H 1.636 0.005 2 692 753 65 ARG C C 177.386 0.018 1 693 753 65 ARG CA C 54.089 0.069 1 694 753 65 ARG CB C 30.978 0.091 1 695 753 65 ARG CD C 43.036 0.080 1 696 753 65 ARG CG C 26.468 0.098 1 697 753 65 ARG N N 120.655 0.030 1 698 753 65 ARG NE N 84.147 0.023 1 699 754 66 ASN H H 8.456 0.006 1 700 754 66 ASN HA H 4.801 0.004 1 701 754 66 ASN HB2 H 2.565 0.010 2 702 754 66 ASN HB3 H 2.649 0.010 2 703 754 66 ASN HD21 H 6.854 0.014 1 704 754 66 ASN HD22 H 7.598 0.003 1 705 754 66 ASN C C 178.444 0.006 1 706 754 66 ASN CA C 53.687 0.087 1 707 754 66 ASN CB C 39.104 0.041 1 708 754 66 ASN N N 122.096 0.046 1 709 754 66 ASN ND2 N 113.074 0.041 1 710 755 67 TYR H H 8.088 0.012 1 711 755 67 TYR HA H 5.236 0.009 1 712 755 67 TYR HB2 H 2.444 0.010 2 713 755 67 TYR HB3 H 2.739 0.029 2 714 755 67 TYR HD1 H 6.756 0.003 3 715 755 67 TYR HD2 H 6.756 0.003 3 716 755 67 TYR HE1 H 6.595 0.004 3 717 755 67 TYR HE2 H 6.595 0.004 3 718 755 67 TYR C C 176.682 0.001 1 719 755 67 TYR CA C 56.674 0.053 1 720 755 67 TYR CB C 42.308 0.102 1 721 755 67 TYR CD1 C 132.362 0.066 3 722 755 67 TYR CD2 C 132.362 0.066 3 723 755 67 TYR CE1 C 118.933 0.033 3 724 755 67 TYR CE2 C 118.933 0.033 3 725 755 67 TYR N N 123.871 0.058 1 726 756 68 THR H H 8.733 0.006 1 727 756 68 THR HA H 4.512 0.010 1 728 756 68 THR HB H 3.957 0.007 1 729 756 68 THR HG2 H 1.159 0.012 1 730 756 68 THR C C 178.124 0.006 1 731 756 68 THR CA C 60.137 0.084 1 732 756 68 THR CB C 71.074 0.089 1 733 756 68 THR CG2 C 21.766 0.105 1 734 756 68 THR N N 115.077 0.037 1 735 757 69 LEU H H 8.712 0.005 1 736 757 69 LEU HA H 4.434 0.004 1 737 757 69 LEU HB2 H 1.541 0.005 2 738 757 69 LEU HB3 H 1.559 0.001 2 739 757 69 LEU HD1 H 0.724 0.008 2 740 757 69 LEU HD2 H 0.698 0.004 2 741 757 69 LEU C C 174.822 0.022 1 742 757 69 LEU CA C 55.967 0.086 1 743 757 69 LEU CB C 42.968 0.077 1 744 757 69 LEU CD1 C 25.760 0.066 2 745 757 69 LEU CD2 C 24.366 0.028 2 746 757 69 LEU N N 126.266 0.026 1 747 758 70 THR H H 8.117 0.005 1 748 758 70 THR HA H 4.524 0.005 1 749 758 70 THR HB H 4.248 0.008 1 750 758 70 THR HG2 H 0.975 0.004 1 751 758 70 THR C C 176.637 0.009 1 752 758 70 THR CA C 60.684 0.053 1 753 758 70 THR CB C 69.390 0.076 1 754 758 70 THR CG2 C 23.008 0.041 1 755 758 70 THR N N 115.872 0.053 1 756 759 71 GLY H H 8.449 0.006 1 757 759 71 GLY HA2 H 3.927 0.005 2 758 759 71 GLY HA3 H 4.073 0.008 2 759 759 71 GLY C C 175.636 0.022 1 760 759 71 GLY CA C 45.117 0.111 1 761 759 71 GLY N N 105.630 0.021 1 762 760 72 ARG H H 8.735 0.004 1 763 760 72 ARG HA H 4.147 0.007 1 764 760 72 ARG HB2 H 1.788 0.006 2 765 760 72 ARG HB3 H 1.899 0.005 2 766 760 72 ARG HD2 H 3.176 0.005 2 767 760 72 ARG HD3 H 3.186 0.003 2 768 760 72 ARG HE H 7.222 0.005 1 769 760 72 ARG HG2 H 1.629 0.005 2 770 760 72 ARG HG3 H 1.644 0.004 2 771 760 72 ARG C C 176.165 0.008 1 772 760 72 ARG CA C 58.362 0.107 1 773 760 72 ARG CB C 29.994 0.093 1 774 760 72 ARG CD C 43.417 0.087 1 775 760 72 ARG CG C 26.552 0.091 1 776 760 72 ARG N N 122.473 0.023 1 777 760 72 ARG NE N 84.796 0.047 1 778 761 73 ASP H H 8.479 0.004 1 779 761 73 ASP HA H 4.742 0.015 1 780 761 73 ASP HB2 H 2.660 0.004 2 781 761 73 ASP HB3 H 2.770 0.008 2 782 761 73 ASP C C 175.356 0.001 1 783 761 73 ASP CA C 54.393 0.097 1 784 761 73 ASP CB C 40.042 0.037 1 785 761 73 ASP N N 115.997 0.035 1 786 762 74 SER H H 7.853 0.004 1 787 762 74 SER HA H 4.186 0.010 1 788 762 74 SER HB2 H 3.821 0.008 2 789 762 74 SER HB3 H 4.015 0.012 2 790 762 74 SER C C 179.606 0.001 1 791 762 74 SER CA C 59.820 0.070 1 792 762 74 SER CB C 64.714 0.105 1 793 762 74 SER N N 113.728 0.029 1 794 763 75 CYS H H 7.806 0.005 1 795 763 75 CYS HA H 4.963 0.005 1 796 763 75 CYS HB2 H 2.653 0.007 2 797 763 75 CYS HB3 H 2.951 0.006 2 798 763 75 CYS C C 180.628 0.004 1 799 763 75 CYS CA C 56.229 0.062 1 800 763 75 CYS CB C 37.640 0.038 1 801 763 75 CYS N N 122.198 0.021 1 802 764 76 THR H H 8.566 0.007 1 803 764 76 THR HA H 4.352 0.003 1 804 764 76 THR HB H 3.940 0.008 1 805 764 76 THR HG2 H 1.155 0.009 1 806 764 76 THR C C 178.310 0.006 1 807 764 76 THR CA C 61.730 0.021 1 808 764 76 THR CB C 69.320 0.076 1 809 764 76 THR CG2 C 21.625 0.076 1 810 764 76 THR N N 117.976 0.037 1 811 765 77 LEU H H 8.535 0.003 1 812 765 77 LEU HA H 4.476 0.005 1 813 765 77 LEU HB2 H 1.424 0.009 2 814 765 77 LEU HB3 H 1.625 0.005 2 815 765 77 LEU HD1 H 0.854 0.004 2 816 765 77 LEU HD2 H 0.731 0.007 2 817 765 77 LEU HG H 1.693 0.008 1 818 765 77 LEU C C 177.113 0.001 1 819 765 77 LEU CA C 52.598 0.044 1 820 765 77 LEU CB C 40.621 0.102 1 821 765 77 LEU CD1 C 25.319 0.065 2 822 765 77 LEU CD2 C 22.803 0.047 2 823 765 77 LEU CG C 26.396 0.125 1 824 765 77 LEU N N 129.094 0.046 1 825 766 78 PRO HA H 4.346 0.016 1 826 766 78 PRO HB2 H 1.887 0.004 2 827 766 78 PRO HB3 H 2.256 0.005 2 828 766 78 PRO HD2 H 3.547 0.013 2 829 766 78 PRO HD3 H 3.660 0.008 2 830 766 78 PRO HG2 H 2.046 0.008 2 831 766 78 PRO HG3 H 1.962 0.024 2 832 766 78 PRO C C 175.420 0.004 1 833 766 78 PRO CA C 62.797 0.044 1 834 766 78 PRO CB C 31.979 0.068 1 835 766 78 PRO CD C 50.740 0.039 1 836 766 78 PRO CG C 27.567 0.082 1 837 767 79 ALA H H 8.418 0.003 1 838 767 79 ALA HA H 4.307 0.006 1 839 767 79 ALA HB H 1.389 0.006 1 840 767 79 ALA C C 173.862 0.003 1 841 767 79 ALA CA C 52.099 0.075 1 842 767 79 ALA CB C 19.034 0.109 1 843 767 79 ALA N N 125.434 0.026 1 844 768 80 SER H H 8.558 0.006 1 845 768 80 SER HA H 4.438 0.006 1 846 768 80 SER HB2 H 3.897 0.004 2 847 768 80 SER HB3 H 3.877 0.011 2 848 768 80 SER C C 177.855 0.012 1 849 768 80 SER CA C 58.328 0.099 1 850 768 80 SER CB C 63.781 0.076 1 851 768 80 SER N N 116.943 0.016 1 852 769 81 ALA H H 8.289 0.006 1 853 769 81 ALA HA H 4.433 0.003 1 854 769 81 ALA HB H 1.394 0.005 1 855 769 81 ALA C C 174.777 0.004 1 856 769 81 ALA CA C 51.919 0.068 1 857 769 81 ALA CB C 20.057 0.068 1 858 769 81 ALA N N 126.964 0.029 1 859 770 82 GLU H H 8.495 0.003 1 860 770 82 GLU HA H 4.226 0.007 1 861 770 82 GLU HB2 H 1.978 0.011 2 862 770 82 GLU HB3 H 1.952 0.003 2 863 770 82 GLU HG2 H 2.283 0.008 2 864 770 82 GLU HG3 H 2.207 0.006 2 865 770 82 GLU C C 175.761 0.009 1 866 770 82 GLU CA C 56.767 0.036 1 867 770 82 GLU CB C 29.926 0.124 1 868 770 82 GLU CG C 36.406 0.073 1 869 770 82 GLU N N 120.787 0.035 1 870 771 83 LYS H H 8.428 0.004 1 871 771 83 LYS HA H 4.461 0.007 1 872 771 83 LYS HB2 H 1.652 0.011 2 873 771 83 LYS HB3 H 1.719 0.004 2 874 771 83 LYS HD2 H 1.619 0.009 2 875 771 83 LYS HD3 H 1.707 0.010 2 876 771 83 LYS HE2 H 3.005 0.001 2 877 771 83 LYS HE3 H 2.950 0.010 2 878 771 83 LYS HG2 H 1.404 0.001 2 879 771 83 LYS HG3 H 1.430 0.018 2 880 771 83 LYS C C 177.134 0.002 1 881 771 83 LYS CA C 54.114 0.072 1 882 771 83 LYS CB C 34.639 0.092 1 883 771 83 LYS CD C 28.123 0.099 1 884 771 83 LYS CE C 42.242 0.077 1 885 771 83 LYS CG C 24.706 0.005 1 886 771 83 LYS N N 123.413 0.048 1 887 772 84 ALA H H 8.274 0.003 1 888 772 84 ALA HA H 4.575 0.008 1 889 772 84 ALA HB H 1.378 0.004 1 890 772 84 ALA C C 174.966 0.002 1 891 772 84 ALA CA C 50.757 0.015 1 892 772 84 ALA CB C 20.450 0.097 1 893 772 84 ALA N N 124.024 0.053 1 894 773 85 CYS H H 7.823 0.003 1 895 773 85 CYS HA H 4.137 0.002 1 896 773 85 CYS HB2 H 2.788 0.001 2 897 773 85 CYS HB3 H 3.266 0.001 2 898 773 85 CYS N N 116.829 0.033 1 899 774 86 GLY HA2 H 3.586 0.007 2 900 774 86 GLY HA3 H 4.386 0.015 2 901 774 86 GLY C C 177.873 0.001 1 902 774 86 GLY CA C 45.101 0.110 1 903 775 87 ALA H H 8.389 0.004 1 904 775 87 ALA HA H 4.600 0.009 1 905 775 87 ALA HB H 1.302 0.006 1 906 775 87 ALA C C 175.509 0.001 1 907 775 87 ALA CA C 50.678 0.045 1 908 775 87 ALA CB C 18.997 0.061 1 909 775 87 ALA N N 124.777 0.025 1 910 776 88 CYS H H 7.899 0.003 1 911 776 88 CYS HA H 4.612 0.006 1 912 776 88 CYS HB2 H 2.588 0.008 2 913 776 88 CYS HB3 H 2.501 0.009 2 914 776 88 CYS C C 178.654 0.001 1 915 776 88 CYS CA C 51.490 0.026 1 916 776 88 CYS CB C 34.046 0.069 1 917 776 88 CYS N N 116.189 0.033 1 918 778 90 LEU HA H 3.899 0.008 1 919 778 90 LEU HB2 H 1.444 0.007 2 920 778 90 LEU HB3 H 1.558 0.023 2 921 778 90 LEU HD1 H 0.808 0.019 2 922 778 90 LEU HD2 H 0.849 0.007 2 923 778 90 LEU CA C 57.973 0.039 1 924 778 90 LEU CB C 42.148 0.055 1 925 778 90 LEU CD1 C 24.802 0.065 2 926 778 90 LEU CD2 C 25.266 0.069 2 927 779 91 TRP H H 5.862 0.005 1 928 779 91 TRP HD1 H 6.922 0.006 1 929 779 91 TRP HE1 H 10.760 0.002 1 930 779 91 TRP HE3 H 7.432 0.005 1 931 779 91 TRP HH2 H 7.228 0.005 1 932 779 91 TRP HZ2 H 7.640 0.011 1 933 779 91 TRP HZ3 H 6.871 0.005 1 934 779 91 TRP C C 178.366 0.001 1 935 779 91 TRP CB C 27.884 0.001 1 936 779 91 TRP CD1 C 126.966 0.074 1 937 779 91 TRP CE3 C 119.615 0.098 1 938 779 91 TRP CH2 C 125.081 0.079 1 939 779 91 TRP CZ2 C 116.092 0.061 1 940 779 91 TRP CZ3 C 121.779 0.051 1 941 779 91 TRP N N 108.538 0.040 1 942 779 91 TRP NE1 N 134.806 0.038 1 943 780 92 GLY H H 7.828 0.007 1 944 780 92 GLY HA2 H 3.130 0.011 2 945 780 92 GLY HA3 H 5.392 0.014 2 946 780 92 GLY C C 180.778 0.001 1 947 780 92 GLY CA C 43.644 0.073 1 948 780 92 GLY N N 110.812 0.044 1 949 781 93 LYS H H 9.237 0.008 1 950 781 93 LYS HA H 4.767 0.011 1 951 781 93 LYS HB2 H 1.484 0.012 2 952 781 93 LYS HB3 H 1.754 0.011 2 953 781 93 LYS HE2 H 2.974 0.001 2 954 781 93 LYS HE3 H 2.977 0.015 2 955 781 93 LYS HG2 H 1.031 0.011 2 956 781 93 LYS HG3 H 0.890 0.018 2 957 781 93 LYS C C 177.641 0.001 1 958 781 93 LYS CA C 54.000 0.060 1 959 781 93 LYS CB C 35.943 0.093 1 960 781 93 LYS CE C 43.965 0.059 1 961 781 93 LYS CG C 23.629 0.101 1 962 781 93 LYS N N 117.042 0.047 1 963 782 94 CYS H H 8.909 0.008 1 964 782 94 CYS HA H 4.539 0.004 1 965 782 94 CYS HB2 H 2.864 0.001 2 966 782 94 CYS HB3 H 3.417 0.001 2 967 782 94 CYS CA C 52.478 0.001 1 968 782 94 CYS N N 120.007 0.040 1 969 788 100 LYS HA H 4.789 0.006 1 970 788 100 LYS HB2 H 1.855 0.005 2 971 788 100 LYS HB3 H 1.709 0.019 2 972 788 100 LYS HD2 H 1.527 0.005 2 973 788 100 LYS HD3 H 1.607 0.008 2 974 788 100 LYS HE2 H 2.963 0.001 2 975 788 100 LYS HE3 H 2.940 0.015 2 976 788 100 LYS HG2 H 1.367 0.001 2 977 788 100 LYS HG3 H 1.373 0.011 2 978 788 100 LYS C C 176.651 0.001 1 979 788 100 LYS CA C 54.441 0.048 1 980 788 100 LYS CB C 34.985 0.106 1 981 788 100 LYS CD C 28.850 0.074 1 982 788 100 LYS CE C 42.050 0.096 1 983 788 100 LYS CG C 24.657 0.028 1 984 789 101 CYS H H 8.227 0.004 1 985 789 101 CYS HA H 5.118 0.008 1 986 789 101 CYS HB2 H 2.872 0.007 2 987 789 101 CYS HB3 H 2.465 0.012 2 988 789 101 CYS C C 176.854 0.001 1 989 789 101 CYS CA C 55.856 0.079 1 990 789 101 CYS CB C 41.189 0.105 1 991 789 101 CYS N N 117.594 0.032 1 992 790 102 VAL H H 9.493 0.004 1 993 790 102 VAL HA H 4.790 0.017 1 994 790 102 VAL HB H 2.394 0.006 1 995 790 102 VAL HG1 H 0.945 0.004 2 996 790 102 VAL HG2 H 0.745 0.004 2 997 790 102 VAL C C 176.077 0.003 1 998 790 102 VAL CA C 59.012 0.067 1 999 790 102 VAL CB C 34.826 0.046 1 1000 790 102 VAL CG1 C 21.890 0.070 2 1001 790 102 VAL CG2 C 18.572 0.095 2 1002 790 102 VAL N N 118.228 0.041 1 1003 791 103 CYS H H 8.350 0.004 1 1004 791 103 CYS HA H 4.791 0.008 1 1005 791 103 CYS HB2 H 2.672 0.009 2 1006 791 103 CYS HB3 H 3.373 0.013 2 1007 791 103 CYS C C 175.398 0.007 1 1008 791 103 CYS CA C 54.659 0.089 1 1009 791 103 CYS CB C 38.065 0.063 1 1010 791 103 CYS N N 117.298 0.032 1 1011 792 104 ARG H H 8.829 0.006 1 1012 792 104 ARG HA H 4.169 0.015 1 1013 792 104 ARG HB2 H 1.633 0.001 2 1014 792 104 ARG HB3 H 1.616 0.001 2 1015 792 104 ARG HG2 H -0.336 0.009 2 1016 792 104 ARG HG3 H 1.413 0.016 2 1017 792 104 ARG C C 174.598 0.010 1 1018 792 104 ARG CA C 57.130 0.078 1 1019 792 104 ARG CB C 34.262 0.001 1 1020 792 104 ARG CG C 32.262 0.105 1 1021 792 104 ARG N N 122.463 0.039 1 1022 793 105 GLU H H 8.879 0.005 1 1023 793 105 GLU HA H 4.377 0.011 1 1024 793 105 GLU HB2 H 2.182 0.013 2 1025 793 105 GLU HB3 H 1.610 0.006 2 1026 793 105 GLU HG2 H 2.220 0.011 2 1027 793 105 GLU HG3 H 2.323 0.005 2 1028 793 105 GLU C C 173.777 0.013 1 1029 793 105 GLU CA C 55.550 0.099 1 1030 793 105 GLU CB C 30.137 0.101 1 1031 793 105 GLU CG C 35.737 0.063 1 1032 793 105 GLU N N 119.985 0.043 1 1033 794 106 ALA H H 9.049 0.005 1 1034 794 106 ALA HA H 3.911 0.011 1 1035 794 106 ALA HB H 1.458 0.004 1 1036 794 106 ALA C C 172.128 0.005 1 1037 794 106 ALA CA C 55.734 0.062 1 1038 794 106 ALA CB C 17.901 0.093 1 1039 794 106 ALA N N 125.195 0.047 1 1040 795 107 SER H H 8.177 0.005 1 1041 795 107 SER HA H 4.213 0.016 1 1042 795 107 SER HB2 H 3.840 0.008 2 1043 795 107 SER HB3 H 4.015 0.007 2 1044 795 107 SER C C 176.714 0.001 1 1045 795 107 SER CA C 59.701 0.060 1 1046 795 107 SER CB C 62.472 0.071 1 1047 795 107 SER N N 110.055 0.022 1 1048 796 108 GLU H H 7.904 0.004 1 1049 796 108 GLU HA H 4.474 0.006 1 1050 796 108 GLU HB2 H 2.227 0.012 2 1051 796 108 GLU HB3 H 2.197 0.005 2 1052 796 108 GLU HG2 H 2.176 0.001 2 1053 796 108 GLU HG3 H 2.180 0.011 2 1054 796 108 GLU C C 174.454 0.004 1 1055 796 108 GLU CA C 55.123 0.066 1 1056 796 108 GLU CB C 29.937 0.082 1 1057 796 108 GLU CG C 36.958 0.062 1 1058 796 108 GLU N N 119.273 0.028 1 1059 797 109 CYS H H 7.669 0.007 1 1060 797 109 CYS HA H 4.299 0.029 1 1061 797 109 CYS HB2 H 3.216 0.010 2 1062 797 109 CYS HB3 H 2.787 0.005 2 1063 797 109 CYS CA C 59.022 0.100 1 1064 797 109 CYS CB C 43.080 0.086 1 1065 797 109 CYS N N 120.896 0.030 1 1066 798 110 GLU H H 8.430 0.006 1 1067 798 110 GLU HA H 4.267 0.003 1 1068 798 110 GLU HB2 H 2.068 0.004 2 1069 798 110 GLU HB3 H 1.894 0.012 2 1070 798 110 GLU HG2 H 2.200 0.013 2 1071 798 110 GLU HG3 H 2.275 0.021 2 1072 798 110 GLU C C 176.168 0.001 1 1073 798 110 GLU CA C 57.346 0.042 1 1074 798 110 GLU CB C 30.412 0.079 1 1075 798 110 GLU CG C 36.504 0.038 1 1076 798 110 GLU N N 125.331 0.028 1 1077 799 111 GLU H H 8.037 0.005 1 1078 799 111 GLU HA H 4.365 0.007 1 1079 799 111 GLU HB2 H 1.939 0.003 2 1080 799 111 GLU HB3 H 1.932 0.001 2 1081 799 111 GLU HG2 H 2.210 0.001 2 1082 799 111 GLU HG3 H 2.148 0.008 2 1083 799 111 GLU C C 176.158 0.001 1 1084 799 111 GLU CA C 55.785 0.037 1 1085 799 111 GLU CB C 29.532 0.105 1 1086 799 111 GLU CG C 36.207 0.059 1 1087 799 111 GLU N N 121.107 0.014 1 1088 800 112 GLU H H 8.494 0.005 1 1089 800 112 GLU HA H 4.144 0.011 1 1090 800 112 GLU HB2 H 1.970 0.005 2 1091 800 112 GLU HB3 H 2.089 0.005 2 1092 800 112 GLU HG2 H 2.474 0.005 2 1093 800 112 GLU HG3 H 2.347 0.013 2 1094 800 112 GLU C C 174.371 0.028 1 1095 800 112 GLU CA C 58.456 0.099 1 1096 800 112 GLU CB C 30.664 0.056 1 1097 800 112 GLU CG C 35.250 0.067 1 1098 800 112 GLU N N 123.682 0.022 1 1099 801 113 GLY H H 8.174 0.006 1 1100 801 113 GLY HA2 H 3.517 0.012 2 1101 801 113 GLY HA3 H 4.379 0.010 2 1102 801 113 GLY C C 177.819 0.001 1 1103 801 113 GLY CA C 44.186 0.087 1 1104 801 113 GLY N N 104.813 0.033 1 1105 802 114 PHE H H 10.104 0.008 1 1106 802 114 PHE HA H 4.167 0.006 1 1107 802 114 PHE HB2 H 3.069 0.010 2 1108 802 114 PHE HB3 H 2.711 0.006 2 1109 802 114 PHE HD1 H 7.149 0.005 3 1110 802 114 PHE HD2 H 7.149 0.005 3 1111 802 114 PHE HE1 H 7.640 0.005 3 1112 802 114 PHE HE2 H 7.640 0.005 3 1113 802 114 PHE C C 176.472 0.001 1 1114 802 114 PHE CA C 60.066 0.088 1 1115 802 114 PHE CB C 39.557 0.094 1 1116 802 114 PHE CD1 C 130.763 0.027 3 1117 802 114 PHE CD2 C 130.763 0.027 3 1118 802 114 PHE CE1 C 132.698 0.035 3 1119 802 114 PHE CE2 C 132.698 0.035 3 1120 802 114 PHE N N 120.160 0.047 1 1121 803 115 SER H H 8.518 0.006 1 1122 803 115 SER HA H 4.716 0.012 1 1123 803 115 SER HB2 H 3.624 0.006 2 1124 803 115 SER HB3 H 3.774 0.015 2 1125 803 115 SER C C 178.762 0.001 1 1126 803 115 SER CA C 58.732 0.088 1 1127 803 115 SER CB C 63.308 0.074 1 1128 803 115 SER N N 116.412 0.035 1 1129 804 116 ILE H H 8.907 0.008 1 1130 804 116 ILE HA H 4.246 0.011 1 1131 804 116 ILE HB H 2.247 0.010 1 1132 804 116 ILE HD1 H 0.606 0.011 1 1133 804 116 ILE HG12 H 1.166 0.011 2 1134 804 116 ILE HG13 H 1.181 0.009 2 1135 804 116 ILE HG2 H 0.777 0.006 1 1136 804 116 ILE C C 179.741 0.001 1 1137 804 116 ILE CA C 59.779 0.056 1 1138 804 116 ILE CB C 41.123 0.120 1 1139 804 116 ILE CD1 C 15.487 0.020 1 1140 804 116 ILE CG1 C 25.131 0.079 1 1141 804 116 ILE CG2 C 18.911 0.051 1 1142 804 116 ILE N N 119.068 0.042 1 1143 805 117 CYS H H 7.737 0.005 1 1144 805 117 CYS HA H 5.219 0.011 1 1145 805 117 CYS HB2 H 2.876 0.007 2 1146 805 117 CYS HB3 H 2.904 0.006 2 1147 805 117 CYS C C 178.104 0.025 1 1148 805 117 CYS CA C 55.131 0.087 1 1149 805 117 CYS CB C 41.531 0.107 1 1150 805 117 CYS N N 120.412 0.051 1 1151 806 118 VAL H H 8.814 0.005 1 1152 806 118 VAL HA H 4.990 0.013 1 1153 806 118 VAL HB H 1.906 0.004 1 1154 806 118 VAL HG1 H 0.784 0.004 2 1155 806 118 VAL HG2 H 0.858 0.012 2 1156 806 118 VAL C C 178.018 0.010 1 1157 806 118 VAL CA C 59.495 0.029 1 1158 806 118 VAL CB C 36.047 0.057 1 1159 806 118 VAL CG1 C 22.447 0.063 2 1160 806 118 VAL CG2 C 21.515 0.073 2 1161 806 118 VAL N N 126.373 0.023 1 1162 807 119 GLU H H 9.276 0.005 1 1163 807 119 GLU HA H 4.800 0.004 1 1164 807 119 GLU HB2 H 1.747 0.012 2 1165 807 119 GLU HB3 H 1.937 0.009 2 1166 807 119 GLU HG2 H 2.033 0.006 2 1167 807 119 GLU HG3 H 1.704 0.011 2 1168 807 119 GLU C C 176.652 0.003 1 1169 807 119 GLU CA C 55.127 0.102 1 1170 807 119 GLU CB C 31.260 0.102 1 1171 807 119 GLU CG C 36.227 0.069 1 1172 807 119 GLU N N 125.194 0.034 1 1173 808 120 VAL H H 8.542 0.005 1 1174 808 120 VAL HA H 4.320 0.007 1 1175 808 120 VAL HB H 1.956 0.005 1 1176 808 120 VAL HG1 H 0.848 0.008 2 1177 808 120 VAL HG2 H 0.831 0.009 2 1178 808 120 VAL C C 176.416 0.005 1 1179 808 120 VAL CA C 60.983 0.048 1 1180 808 120 VAL CB C 33.757 0.088 1 1181 808 120 VAL CG1 C 20.255 0.064 2 1182 808 120 VAL CG2 C 21.361 0.013 2 1183 808 120 VAL N N 126.284 0.033 1 1184 809 121 ASN H H 9.609 0.004 1 1185 809 121 ASN HA H 4.338 0.005 1 1186 809 121 ASN HB2 H 2.773 0.005 2 1187 809 121 ASN HB3 H 3.039 0.006 2 1188 809 121 ASN HD21 H 6.934 0.001 1 1189 809 121 ASN HD22 H 7.671 0.004 1 1190 809 121 ASN C C 176.567 0.001 1 1191 809 121 ASN CA C 54.385 0.072 1 1192 809 121 ASN CB C 37.508 0.108 1 1193 809 121 ASN N N 126.566 0.033 1 1194 809 121 ASN ND2 N 113.557 0.025 1 1195 810 122 GLY H H 8.971 0.007 1 1196 810 122 GLY HA2 H 3.557 0.029 2 1197 810 122 GLY HA3 H 4.096 0.015 2 1198 810 122 GLY C C 178.376 0.009 1 1199 810 122 GLY CA C 45.485 0.016 1 1200 810 122 GLY N N 103.498 0.035 1 1201 811 123 LYS H H 7.673 0.004 1 1202 811 123 LYS HA H 4.686 0.002 1 1203 811 123 LYS HB2 H 1.831 0.008 2 1204 811 123 LYS HB3 H 1.716 0.003 2 1205 811 123 LYS HD2 H 1.676 0.007 2 1206 811 123 LYS HD3 H 1.821 0.006 2 1207 811 123 LYS HE2 H 2.975 0.001 2 1208 811 123 LYS HE3 H 2.985 0.009 2 1209 811 123 LYS HG2 H 1.385 0.010 2 1210 811 123 LYS HG3 H 1.334 0.008 2 1211 811 123 LYS C C 176.606 0.005 1 1212 811 123 LYS CA C 54.606 0.067 1 1213 811 123 LYS CB C 35.021 0.093 1 1214 811 123 LYS CD C 28.968 0.057 1 1215 811 123 LYS CE C 42.235 0.062 1 1216 811 123 LYS CG C 24.548 0.096 1 1217 811 123 LYS N N 120.928 0.026 1 1218 812 124 GLU H H 8.746 0.007 1 1219 812 124 GLU HA H 5.039 0.017 1 1220 812 124 GLU HB2 H 1.943 0.006 2 1221 812 124 GLU HB3 H 1.844 0.006 2 1222 812 124 GLU HG2 H 2.035 0.005 2 1223 812 124 GLU HG3 H 2.223 0.004 2 1224 812 124 GLU C C 175.696 0.005 1 1225 812 124 GLU CA C 55.934 0.057 1 1226 812 124 GLU CB C 31.010 0.089 1 1227 812 124 GLU CG C 37.902 0.084 1 1228 812 124 GLU N N 125.732 0.060 1 1229 813 125 GLN H H 9.268 0.009 1 1230 813 125 GLN HA H 4.635 0.003 1 1231 813 125 GLN HB2 H 2.070 0.010 2 1232 813 125 GLN HB3 H 1.971 0.014 2 1233 813 125 GLN HE21 H 6.862 0.003 1 1234 813 125 GLN HE22 H 7.267 0.002 1 1235 813 125 GLN HG2 H 2.292 0.015 2 1236 813 125 GLN HG3 H 2.072 0.005 2 1237 813 125 GLN C C 177.635 0.010 1 1238 813 125 GLN CA C 54.781 0.052 1 1239 813 125 GLN CB C 33.185 0.101 1 1240 813 125 GLN CG C 33.530 0.103 1 1241 813 125 GLN N N 122.595 0.033 1 1242 813 125 GLN NE2 N 111.393 0.030 1 1243 814 126 THR H H 8.775 0.008 1 1244 814 126 THR HA H 5.291 0.010 1 1245 814 126 THR HB H 4.029 0.008 1 1246 814 126 THR HG2 H 1.207 0.003 1 1247 814 126 THR C C 176.791 0.006 1 1248 814 126 THR CA C 62.757 0.066 1 1249 814 126 THR CB C 69.067 0.092 1 1250 814 126 THR CG2 C 22.869 0.052 1 1251 814 126 THR N N 123.755 0.035 1 1252 815 127 MET H H 9.171 0.019 1 1253 815 127 MET HA H 4.814 0.009 1 1254 815 127 MET HB2 H 1.871 0.009 2 1255 815 127 MET HB3 H 2.233 0.006 2 1256 815 127 MET HE H 1.827 0.013 1 1257 815 127 MET HG2 H 2.469 0.006 2 1258 815 127 MET HG3 H 2.385 0.010 2 1259 815 127 MET C C 178.502 0.004 1 1260 815 127 MET CA C 54.887 0.058 1 1261 815 127 MET CB C 37.312 0.092 1 1262 815 127 MET CE C 16.956 0.044 1 1263 815 127 MET CG C 31.500 0.048 1 1264 815 127 MET N N 126.165 0.046 1 1265 816 128 SER H H 8.852 0.004 1 1266 816 128 SER HA H 5.049 0.010 1 1267 816 128 SER HB2 H 3.980 0.008 2 1268 816 128 SER HB3 H 4.636 0.007 2 1269 816 128 SER C C 176.138 0.017 1 1270 816 128 SER CA C 57.461 0.110 1 1271 816 128 SER CB C 65.593 0.098 1 1272 816 128 SER N N 115.644 0.035 1 1273 817 129 GLU H H 8.651 0.009 1 1274 817 129 GLU HA H 3.992 0.003 1 1275 817 129 GLU HB2 H 2.705 0.009 2 1276 817 129 GLU HB3 H 2.265 0.013 2 1277 817 129 GLU HG2 H 3.071 0.008 2 1278 817 129 GLU HG3 H 2.268 0.013 2 1279 817 129 GLU C C 173.164 0.044 1 1280 817 129 GLU CA C 60.868 0.052 1 1281 817 129 GLU CB C 33.334 0.070 1 1282 817 129 GLU CG C 39.789 0.076 1 1283 817 129 GLU N N 120.113 0.051 1 1284 818 130 CYS H H 8.592 0.006 1 1285 818 130 CYS HA H 4.147 0.010 1 1286 818 130 CYS HB2 H 3.060 0.003 2 1287 818 130 CYS HB3 H 3.673 0.012 2 1288 818 130 CYS C C 177.415 0.001 1 1289 818 130 CYS CA C 61.756 0.080 1 1290 818 130 CYS CB C 42.956 0.095 1 1291 818 130 CYS N N 116.974 0.036 1 1292 819 131 GLU H H 8.290 0.004 1 1293 819 131 GLU HA H 3.777 0.007 1 1294 819 131 GLU HB2 H 2.233 0.024 2 1295 819 131 GLU HB3 H 2.097 0.009 2 1296 819 131 GLU HG2 H 2.384 0.001 2 1297 819 131 GLU HG3 H 2.398 0.009 2 1298 819 131 GLU C C 173.282 0.001 1 1299 819 131 GLU CA C 59.854 0.078 1 1300 819 131 GLU CB C 29.563 0.081 1 1301 819 131 GLU CG C 36.898 0.112 1 1302 819 131 GLU N N 121.488 0.052 1 1303 820 132 ALA H H 8.714 0.011 1 1304 820 132 ALA HA H 3.994 0.009 1 1305 820 132 ALA HB H 1.276 0.003 1 1306 820 132 ALA C C 172.567 0.010 1 1307 820 132 ALA CA C 55.073 0.110 1 1308 820 132 ALA CB C 19.535 0.072 1 1309 820 132 ALA N N 120.818 0.047 1 1310 821 133 GLY H H 8.750 0.009 1 1311 821 133 GLY HA2 H 3.017 0.013 2 1312 821 133 GLY HA3 H 2.829 0.008 2 1313 821 133 GLY C C 175.740 0.001 1 1314 821 133 GLY CA C 46.362 0.047 1 1315 821 133 GLY N N 105.247 0.041 1 1316 822 134 ALA H H 8.788 0.012 1 1317 822 134 ALA HA H 4.147 0.009 1 1318 822 134 ALA HB H 1.610 0.003 1 1319 822 134 ALA C C 172.141 0.008 1 1320 822 134 ALA CA C 56.205 0.102 1 1321 822 134 ALA CB C 17.346 0.067 1 1322 822 134 ALA N N 127.541 0.029 1 1323 823 135 LEU H H 7.768 0.006 1 1324 823 135 LEU HA H 3.973 0.007 1 1325 823 135 LEU HB2 H 1.178 0.008 2 1326 823 135 LEU HB3 H 1.956 0.013 2 1327 823 135 LEU HD1 H 0.824 0.007 2 1328 823 135 LEU HD2 H 0.816 0.022 2 1329 823 135 LEU CA C 58.123 0.053 1 1330 823 135 LEU CB C 41.594 0.052 1 1331 823 135 LEU CD1 C 25.673 0.039 2 1332 823 135 LEU CD2 C 22.834 0.037 2 1333 823 135 LEU N N 119.450 0.020 1 1334 824 136 ARG H H 7.872 0.008 1 1335 824 136 ARG HA H 4.396 0.017 1 1336 824 136 ARG HB2 H 1.608 0.009 2 1337 824 136 ARG HB3 H 1.678 0.015 2 1338 824 136 ARG HD2 H 3.032 0.014 2 1339 824 136 ARG HD3 H 3.000 0.016 2 1340 824 136 ARG HE H 7.332 0.006 1 1341 824 136 ARG HG2 H 1.504 0.009 2 1342 824 136 ARG HG3 H 1.520 0.001 2 1343 824 136 ARG CA C 58.827 0.081 1 1344 824 136 ARG CB C 30.079 0.104 1 1345 824 136 ARG CD C 44.102 0.085 1 1346 824 136 ARG CG C 25.898 0.049 1 1347 824 136 ARG N N 120.254 0.022 1 1348 824 136 ARG NE N 83.808 0.081 1 1349 825 137 CYS H H 8.598 0.009 1 1350 825 137 CYS HA H 4.177 0.007 1 1351 825 137 CYS HB2 H 3.695 0.010 2 1352 825 137 CYS HB3 H 3.055 0.006 2 1353 825 137 CYS C C 175.515 0.001 1 1354 825 137 CYS CA C 59.840 0.053 1 1355 825 137 CYS CB C 37.965 0.084 1 1356 825 137 CYS N N 121.719 0.028 1 1357 826 138 ARG H H 7.586 0.003 1 1358 826 138 ARG HA H 4.324 0.006 1 1359 826 138 ARG HB2 H 1.935 0.009 2 1360 826 138 ARG HB3 H 2.147 0.011 2 1361 826 138 ARG HD2 H 3.249 0.004 2 1362 826 138 ARG HD3 H 3.222 0.001 2 1363 826 138 ARG HE H 7.229 0.002 1 1364 826 138 ARG HG2 H 1.767 0.009 2 1365 826 138 ARG HG3 H 1.962 0.004 2 1366 826 138 ARG C C 175.667 0.013 1 1367 826 138 ARG CA C 56.619 0.057 1 1368 826 138 ARG CB C 30.156 0.091 1 1369 826 138 ARG CD C 43.447 0.060 1 1370 826 138 ARG CG C 28.656 0.072 1 1371 826 138 ARG N N 117.401 0.026 1 1372 826 138 ARG NE N 85.084 0.037 1 1373 827 139 GLY H H 7.896 0.005 1 1374 827 139 GLY HA2 H 3.713 0.007 2 1375 827 139 GLY HA3 H 4.364 0.019 2 1376 827 139 GLY C C 177.271 0.011 1 1377 827 139 GLY CA C 45.415 0.080 1 1378 827 139 GLY N N 107.237 0.040 1 1379 828 140 GLN H H 7.863 0.006 1 1380 828 140 GLN HA H 4.311 0.006 1 1381 828 140 GLN HB2 H 1.647 0.013 2 1382 828 140 GLN HB3 H 1.809 0.012 2 1383 828 140 GLN HE21 H 6.862 0.002 1 1384 828 140 GLN HE22 H 7.504 0.001 1 1385 828 140 GLN HG2 H 2.205 0.001 2 1386 828 140 GLN HG3 H 2.206 0.004 2 1387 828 140 GLN C C 176.478 0.002 1 1388 828 140 GLN CA C 54.994 0.110 1 1389 828 140 GLN CB C 29.023 0.083 1 1390 828 140 GLN CG C 33.883 0.042 1 1391 828 140 GLN N N 120.290 0.035 1 1392 828 140 GLN NE2 N 112.884 0.041 1 1393 829 141 SER H H 8.661 0.003 1 1394 829 141 SER HA H 4.423 0.006 1 1395 829 141 SER HB2 H 3.794 0.014 2 1396 829 141 SER HB3 H 3.827 0.012 2 1397 829 141 SER C C 177.808 0.012 1 1398 829 141 SER CA C 58.026 0.059 1 1399 829 141 SER CB C 62.709 0.076 1 1400 829 141 SER N N 119.535 0.023 1 1401 830 142 ILE H H 8.243 0.004 1 1402 830 142 ILE HA H 4.924 0.025 1 1403 830 142 ILE HB H 1.661 0.007 1 1404 830 142 ILE HD1 H 0.657 0.016 1 1405 830 142 ILE HG12 H 1.314 0.006 2 1406 830 142 ILE HG13 H 0.972 0.004 2 1407 830 142 ILE HG2 H 0.725 0.007 1 1408 830 142 ILE C C 176.744 0.010 1 1409 830 142 ILE CA C 58.736 0.056 1 1410 830 142 ILE CB C 41.193 0.083 1 1411 830 142 ILE CD1 C 14.295 0.063 1 1412 830 142 ILE CG1 C 26.011 0.090 1 1413 830 142 ILE CG2 C 17.969 0.084 1 1414 830 142 ILE N N 122.365 0.044 1 1415 831 143 SER H H 8.067 0.004 1 1416 831 143 SER HA H 4.759 0.005 1 1417 831 143 SER HB2 H 3.650 0.006 2 1418 831 143 SER HB3 H 3.750 0.010 2 1419 831 143 SER C C 178.884 0.001 1 1420 831 143 SER CA C 56.564 0.041 1 1421 831 143 SER CB C 64.759 0.061 1 1422 831 143 SER N N 117.363 0.035 1 1423 832 144 VAL H H 8.772 0.017 1 1424 832 144 VAL HA H 4.209 0.006 1 1425 832 144 VAL HB H 1.969 0.003 1 1426 832 144 VAL HG1 H 0.748 0.001 2 1427 832 144 VAL HG2 H 0.747 0.013 2 1428 832 144 VAL C C 176.249 0.001 1 1429 832 144 VAL CA C 63.269 0.079 1 1430 832 144 VAL CB C 31.649 0.094 1 1431 832 144 VAL CG1 C 21.753 0.001 2 1432 832 144 VAL CG2 C 21.708 0.069 2 1433 832 144 VAL N N 127.482 0.033 1 1434 833 145 THR H H 9.126 0.007 1 1435 833 145 THR HA H 4.353 0.011 1 1436 833 145 THR HB H 4.141 0.007 1 1437 833 145 THR HG2 H 1.002 0.005 1 1438 833 145 THR C C 175.915 0.001 1 1439 833 145 THR CA C 61.797 0.062 1 1440 833 145 THR CB C 68.977 0.083 1 1441 833 145 THR CG2 C 22.625 0.087 1 1442 833 145 THR N N 119.758 0.048 1 1443 834 146 SER H H 7.744 0.005 1 1444 834 146 SER HA H 4.519 0.013 1 1445 834 146 SER HB2 H 3.797 0.017 2 1446 834 146 SER HB3 H 3.876 0.016 2 1447 834 146 SER C C 177.881 0.005 1 1448 834 146 SER CA C 57.014 0.064 1 1449 834 146 SER CB C 63.395 0.096 1 1450 834 146 SER N N 115.095 0.027 1 1451 835 147 ILE H H 8.114 0.009 1 1452 835 147 ILE HA H 4.281 0.009 1 1453 835 147 ILE HB H 1.896 0.010 1 1454 835 147 ILE HD1 H -0.098 0.006 1 1455 835 147 ILE HG12 H 1.074 0.008 2 1456 835 147 ILE HG13 H 0.808 0.040 2 1457 835 147 ILE HG2 H 0.816 0.007 1 1458 835 147 ILE C C 179.311 0.002 1 1459 835 147 ILE CA C 62.385 0.095 1 1460 835 147 ILE CB C 36.029 0.082 1 1461 835 147 ILE CD1 C 12.500 0.061 1 1462 835 147 ILE CG1 C 25.194 0.064 1 1463 835 147 ILE CG2 C 18.863 0.045 1 1464 835 147 ILE N N 117.134 0.032 1 1465 836 148 ARG H H 8.104 0.009 1 1466 836 148 ARG HA H 5.048 0.007 1 1467 836 148 ARG HB2 H 1.937 0.010 2 1468 836 148 ARG HB3 H 1.423 0.005 2 1469 836 148 ARG HD2 H 3.196 0.006 2 1470 836 148 ARG HD3 H 3.130 0.003 2 1471 836 148 ARG HE H 7.273 0.002 1 1472 836 148 ARG HG2 H 1.487 0.014 2 1473 836 148 ARG HG3 H 1.656 0.013 2 1474 836 148 ARG C C 180.522 0.001 1 1475 836 148 ARG CA C 54.171 0.080 1 1476 836 148 ARG CB C 31.006 0.056 1 1477 836 148 ARG CD C 43.101 0.086 1 1478 836 148 ARG CG C 28.210 0.088 1 1479 836 148 ARG N N 123.985 0.031 1 1480 836 148 ARG NE N 84.538 0.024 1 1481 837 149 PRO HA H 3.779 0.009 1 1482 837 149 PRO HB2 H 2.325 0.005 2 1483 837 149 PRO HB3 H 1.639 0.004 2 1484 837 149 PRO C C 175.544 0.001 1 1485 837 149 PRO CA C 63.167 0.100 1 1486 837 149 PRO CB C 32.194 0.069 1 1487 838 150 CYS H H 8.077 0.004 1 1488 838 150 CYS HA H 4.177 0.011 1 1489 838 150 CYS HB2 H 2.491 0.015 2 1490 838 150 CYS HB3 H 3.200 0.007 2 1491 838 150 CYS C C 176.888 0.001 1 1492 838 150 CYS CA C 54.541 0.058 1 1493 838 150 CYS CB C 38.773 0.060 1 1494 838 150 CYS N N 120.898 0.053 1 1495 839 151 ALA H H 8.500 0.006 1 1496 839 151 ALA HA H 4.238 0.013 1 1497 839 151 ALA HB H 1.334 0.003 1 1498 839 151 ALA C C 174.979 0.001 1 1499 839 151 ALA CA C 52.476 0.071 1 1500 839 151 ALA CB C 19.220 0.078 1 1501 839 151 ALA N N 124.242 0.041 1 1502 840 152 ALA H H 8.089 0.003 1 1503 840 152 ALA HA H 4.242 0.013 1 1504 840 152 ALA HB H 1.333 0.003 1 1505 840 152 ALA C C 174.317 0.011 1 1506 840 152 ALA CA C 52.492 0.068 1 1507 840 152 ALA CB C 19.261 0.062 1 1508 840 152 ALA N N 123.062 0.034 1 1509 841 153 GLU H H 8.439 0.004 1 1510 841 153 GLU HA H 4.309 0.005 1 1511 841 153 GLU HB2 H 1.935 0.013 2 1512 841 153 GLU HB3 H 2.064 0.007 2 1513 841 153 GLU HG2 H 2.279 0.005 2 1514 841 153 GLU HG3 H 2.243 0.001 2 1515 841 153 GLU C C 175.324 0.003 1 1516 841 153 GLU CA C 56.561 0.052 1 1517 841 153 GLU CB C 30.235 0.085 1 1518 841 153 GLU CG C 36.177 0.019 1 1519 841 153 GLU N N 120.047 0.041 1 1520 842 154 THR H H 8.171 0.003 1 1521 842 154 THR HA H 4.304 0.005 1 1522 842 154 THR HB H 4.202 0.008 1 1523 842 154 THR HG2 H 1.173 0.001 1 1524 842 154 THR C C 178.331 0.004 1 1525 842 154 THR CA C 61.880 0.060 1 1526 842 154 THR CB C 69.905 0.086 1 1527 842 154 THR CG2 C 21.448 0.009 1 1528 842 154 THR N N 115.386 0.016 1 1529 843 155 GLN H H 8.013 0.004 1 1530 843 155 GLN HA H 4.157 0.004 1 1531 843 155 GLN HB2 H 2.087 0.005 2 1532 843 155 GLN HB3 H 1.902 0.007 2 1533 843 155 GLN HE21 H 6.785 0.002 1 1534 843 155 GLN HE22 H 7.509 0.002 1 1535 843 155 GLN HG2 H 2.246 0.001 2 1536 843 155 GLN HG3 H 2.263 0.008 2 1537 843 155 GLN C C 171.506 0.001 1 1538 843 155 GLN CA C 57.392 0.036 1 1539 843 155 GLN CB C 30.372 0.081 1 1540 843 155 GLN CG C 34.230 0.060 1 1541 843 155 GLN N N 127.654 0.013 1 1542 843 155 GLN NE2 N 112.438 0.015 1 stop_ save_