data_15336 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Backbone Resonance Assignments of the Nonphosphorylated CFTR Regulatory Region ; _BMRB_accession_number 15336 _BMRB_flat_file_name bmr15336.str _Entry_type original _Submission_date 2007-06-28 _Accession_date 2007-06-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The first four residues are derived from the vector. The remaining residues are from human CFTR with the L833 polymorphism.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Baker Jennifer M.R. . 2 Hudson Rhea P. . 3 Kanelis Voula . . 4 Choy Wing-Yiu . . 5 Thibodeau Patrick H. . 6 Thomas Philip J. . 7 Forman-Kay Julie D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 176 "13C chemical shifts" 532 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-11-21 original author . stop_ _Original_release_date 2007-11-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'CFTR regulatory region interacts with NBD1 predominantly via multiple transient helices.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17660831 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Baker Jennifer M.R. . 2 Hudson Rhea P. . 3 Kanelis Voula . . 4 Choy Wing-Yiu . . 5 Thibodeau Patrick H. . 6 Thomas Philip J. . 7 Forman-Kay Julie D. . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_volume 14 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 738 _Page_last 745 _Year 2007 _Details . loop_ _Keyword NMR 'Protein Folding' 'Protein-Protein Interactions' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'single polypeptide chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'regulatory region' $CFTR_regulatory_region stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CFTR_regulatory_region _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CFTR_regulatory_region _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 189 _Mol_residue_sequence ; GAMESAERRNSILTETLHRF SLEGDAPVSWTETKKQSFKQ TGEFGEKRKNSILNPINSIR KFSIVQKTPLQMNGIEEDSD EPLERRLSLVPDSEQGEAIL PRISVISTGPTLQARRRQSV LNLMTHSVNQGQNIHRKTTA STRKVSLAPQANLTELDIYS RRLSQETGLEISEEINEEDL KECLFDDME ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 650 GLY 2 651 ALA 3 652 MET 4 653 GLU 5 654 SER 6 655 ALA 7 656 GLU 8 657 ARG 9 658 ARG 10 659 ASN 11 660 SER 12 661 ILE 13 662 LEU 14 663 THR 15 664 GLU 16 665 THR 17 666 LEU 18 667 HIS 19 668 ARG 20 669 PHE 21 670 SER 22 671 LEU 23 672 GLU 24 673 GLY 25 674 ASP 26 675 ALA 27 676 PRO 28 677 VAL 29 678 SER 30 679 TRP 31 680 THR 32 681 GLU 33 682 THR 34 683 LYS 35 684 LYS 36 685 GLN 37 686 SER 38 687 PHE 39 688 LYS 40 689 GLN 41 690 THR 42 691 GLY 43 692 GLU 44 693 PHE 45 694 GLY 46 695 GLU 47 696 LYS 48 697 ARG 49 698 LYS 50 699 ASN 51 700 SER 52 701 ILE 53 702 LEU 54 703 ASN 55 704 PRO 56 705 ILE 57 706 ASN 58 707 SER 59 708 ILE 60 709 ARG 61 710 LYS 62 711 PHE 63 712 SER 64 713 ILE 65 714 VAL 66 715 GLN 67 716 LYS 68 717 THR 69 718 PRO 70 719 LEU 71 720 GLN 72 721 MET 73 722 ASN 74 723 GLY 75 724 ILE 76 725 GLU 77 726 GLU 78 727 ASP 79 728 SER 80 729 ASP 81 730 GLU 82 731 PRO 83 732 LEU 84 733 GLU 85 734 ARG 86 735 ARG 87 736 LEU 88 737 SER 89 738 LEU 90 739 VAL 91 740 PRO 92 741 ASP 93 742 SER 94 743 GLU 95 744 GLN 96 745 GLY 97 746 GLU 98 747 ALA 99 748 ILE 100 749 LEU 101 750 PRO 102 751 ARG 103 752 ILE 104 753 SER 105 754 VAL 106 755 ILE 107 756 SER 108 757 THR 109 758 GLY 110 759 PRO 111 760 THR 112 761 LEU 113 762 GLN 114 763 ALA 115 764 ARG 116 765 ARG 117 766 ARG 118 767 GLN 119 768 SER 120 769 VAL 121 770 LEU 122 771 ASN 123 772 LEU 124 773 MET 125 774 THR 126 775 HIS 127 776 SER 128 777 VAL 129 778 ASN 130 779 GLN 131 780 GLY 132 781 GLN 133 782 ASN 134 783 ILE 135 784 HIS 136 785 ARG 137 786 LYS 138 787 THR 139 788 THR 140 789 ALA 141 790 SER 142 791 THR 143 792 ARG 144 793 LYS 145 794 VAL 146 795 SER 147 796 LEU 148 797 ALA 149 798 PRO 150 799 GLN 151 800 ALA 152 801 ASN 153 802 LEU 154 803 THR 155 804 GLU 156 805 LEU 157 806 ASP 158 807 ILE 159 808 TYR 160 809 SER 161 810 ARG 162 811 ARG 163 812 LEU 164 813 SER 165 814 GLN 166 815 GLU 167 816 THR 168 817 GLY 169 818 LEU 170 819 GLU 171 820 ILE 172 821 SER 173 822 GLU 174 823 GLU 175 824 ILE 176 825 ASN 177 826 GLU 178 827 GLU 179 828 ASP 180 829 LEU 181 830 LYS 182 831 GLU 183 832 CYS 184 833 LEU 185 834 PHE 186 835 ASP 187 836 ASP 188 837 MET 189 838 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 BMRB 15340 Phosphorylated_CFTR_Regulatory_Region 100.00 189 100.00 100.00 1.29e-133 EMBL CAE00701 "cystic fibrosis transmembrane conductance regulator [Homo sapiens]" 93.65 241 100.00 100.00 4.99e-122 EMBL CAE00702 "cystic fibrosis transmembrane conductance regulator [Homo sapiens]" 93.65 241 100.00 100.00 4.99e-122 EMBL CAE00703 "cystic fibrosis transmembrane conductance regulator [Homo sapiens]" 93.65 241 100.00 100.00 4.99e-122 EMBL CAE00704 "cystic fibrosis transmembrane conductance regulator [Homo sapiens]" 93.65 241 100.00 100.00 4.99e-122 GB AAA35680 "cystic fibrosis transmembrane conductance regulator [Homo sapiens]" 97.88 1480 100.00 100.00 7.43e-119 GB AAB46352 "unknown [Homo sapiens]" 97.88 996 99.46 99.46 1.68e-121 GB AAC13657 "cystic fibrosis transmembrane conductance regulator [Homo sapiens]" 97.88 1480 99.46 99.46 1.57e-118 GB AAC14011 "cystic fibrosis transmembrane conductance regulator [Macaca mulatta]" 97.88 1481 97.84 98.38 1.33e-115 GB AAC14012 "cystic fibrosis transmembrane conductance regulator [Macaca mulatta]" 97.88 1481 97.30 97.84 3.66e-115 REF NP_000483 "cystic fibrosis transmembrane conductance regulator [Homo sapiens]" 97.88 1480 99.46 99.46 1.57e-118 REF NP_001028110 "cystic fibrosis transmembrane conductance regulator [Macaca mulatta]" 97.88 1481 97.84 98.38 1.33e-115 REF NP_001073386 "cystic fibrosis transmembrane conductance regulator [Pan troglodytes]" 97.88 1480 98.92 98.92 3.38e-117 REF NP_001106085 "cystic fibrosis transmembrane conductance regulator [Papio anubis]" 97.88 1481 97.30 97.84 3.66e-115 REF XP_003808695 "PREDICTED: cystic fibrosis transmembrane conductance regulator [Pan paniscus]" 97.88 1480 98.92 98.92 3.38e-117 SP P13569 "RecName: Full=Cystic fibrosis transmembrane conductance regulator; Short=CFTR; AltName: Full=ATP-binding cassette sub-family C " 97.88 1480 99.46 99.46 1.57e-118 SP Q00553 "RecName: Full=Cystic fibrosis transmembrane conductance regulator; Short=CFTR; AltName: Full=ATP-binding cassette sub-family C " 97.88 1481 97.30 97.84 3.66e-115 SP Q2IBF6 "RecName: Full=Cystic fibrosis transmembrane conductance regulator; Short=CFTR; AltName: Full=ATP-binding cassette sub-family C " 97.88 1480 98.92 98.92 3.85e-117 SP Q2QLE5 "RecName: Full=Cystic fibrosis transmembrane conductance regulator; Short=CFTR; AltName: Full=ATP-binding cassette sub-family C " 97.88 1480 98.92 98.92 3.38e-117 SP Q7JII7 "RecName: Full=Cystic fibrosis transmembrane conductance regulator; Short=CFTR; AltName: Full=ATP-binding cassette sub-family C " 97.88 1481 97.30 97.84 3.66e-115 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CFTR_regulatory_region 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 $CFTR_regulatory_region 'recombinant technology' . Escherichia coli . pPROEX 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 $CFTR_regulatory_region 0.2 mM '[U-98% 13C; U-98% 15N]' 'potassium chloride' 125 mM 'natural abundance' 'potassium phosphate' 125 mM 'natural abundance' DTT 5 mM 'natural abundance' EDTA 5 mM 'natural abundance' benzamidine 5 mM 'natural abundance' DSS 2 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 . M pH 6.8 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HNCO' '2D 1H-15N HSQC' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'regulatory region' _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 1 651 2 ALA C C 178.30 0.10 1 2 652 3 MET H H 8.67 0.02 1 3 652 3 MET C C 176.70 0.10 1 4 652 3 MET CA C 55.82 0.40 1 5 652 3 MET CB C 32.62 0.40 1 6 652 3 MET N N 119.60 0.20 1 7 653 4 GLU H H 8.54 0.02 1 8 653 4 GLU C C 176.91 0.10 1 9 653 4 GLU CA C 57.00 0.40 1 10 653 4 GLU CB C 32.61 0.40 1 11 653 4 GLU N N 122.41 0.20 1 12 654 5 SER H H 8.45 0.02 1 13 654 5 SER C C 174.88 0.10 1 14 654 5 SER CA C 58.67 0.40 1 15 654 5 SER CB C 63.65 0.40 1 16 654 5 SER N N 116.95 0.20 1 17 655 6 ALA H H 8.49 0.02 1 18 655 6 ALA C C 178.34 0.10 1 19 655 6 ALA CA C 53.34 0.40 1 20 655 6 ALA CB C 18.97 0.40 1 21 655 6 ALA N N 126.07 0.20 1 22 656 7 GLU H H 8.35 0.02 1 23 656 7 GLU C C 177.21 0.10 1 24 656 7 GLU CA C 57.39 0.40 1 25 656 7 GLU CB C 30.06 0.40 1 26 656 7 GLU N N 119.21 0.20 1 27 657 8 ARG H H 8.26 0.02 1 28 657 8 ARG C C 176.94 0.10 1 29 657 8 ARG CA C 56.62 0.40 1 30 657 8 ARG CB C 30.49 0.40 1 31 657 8 ARG N N 121.88 0.20 1 32 658 9 ARG H H 8.38 0.02 1 33 658 9 ARG C C 176.67 0.10 1 34 658 9 ARG CA C 57.62 0.40 1 35 658 9 ARG CB C 30.57 0.40 1 36 658 9 ARG N N 121.57 0.20 1 37 659 10 ASN H H 8.51 0.02 1 38 659 10 ASN C C 175.67 0.10 1 39 659 10 ASN CA C 53.72 0.40 1 40 659 10 ASN CB C 38.82 0.40 1 41 659 10 ASN N N 119.33 0.20 1 42 660 11 SER H H 8.31 0.02 1 43 660 11 SER C C 174.77 0.10 1 44 660 11 SER CA C 58.75 0.40 1 45 660 11 SER CB C 63.66 0.40 1 46 660 11 SER N N 116.56 0.20 1 47 661 12 ILE H H 8.17 0.02 1 48 661 12 ILE C C 176.77 0.10 1 49 661 12 ILE CA C 61.86 0.40 1 50 661 12 ILE CB C 38.44 0.40 1 51 661 12 ILE N N 122.30 0.20 1 52 662 13 LEU H H 8.27 0.02 1 53 662 13 LEU C C 177.84 0.10 1 54 662 13 LEU CA C 54.98 0.40 1 55 662 13 LEU CB C 42.12 0.40 1 56 662 13 LEU N N 125.10 0.20 1 57 663 14 THR H H 8.14 0.02 1 58 663 14 THR C C 174.94 0.10 1 59 663 14 THR CA C 55.74 0.40 1 60 663 14 THR CB C 69.04 0.40 1 61 663 14 THR N N 114.85 0.20 1 62 664 15 GLU H H 8.41 0.02 1 63 664 15 GLU C C 176.89 0.10 1 64 664 15 GLU CA C 57.04 0.40 1 65 664 15 GLU CB C 30.81 0.40 1 66 664 15 GLU N N 123.11 0.20 1 67 665 16 THR H H 8.28 0.02 1 68 665 16 THR C C 174.62 0.10 1 69 665 16 THR CA C 61.56 0.40 1 70 665 16 THR CB C 69.05 0.40 1 71 665 16 THR N N 115.77 0.20 1 72 666 17 LEU H H 8.23 0.02 1 73 666 17 LEU C C 177.31 0.10 1 74 666 17 LEU CA C 55.71 0.40 1 75 666 17 LEU CB C 42.17 0.40 1 76 666 17 LEU N N 124.17 0.20 1 77 667 18 HIS H H 8.38 0.02 1 78 667 18 HIS C C 175.08 0.10 1 79 667 18 HIS CA C 55.83 0.40 1 80 667 18 HIS CB C 29.98 0.40 1 81 667 18 HIS N N 119.91 0.20 1 82 668 19 ARG H H 8.32 0.02 1 83 668 19 ARG C C 176.11 0.10 1 84 668 19 ARG CA C 56.49 0.40 1 85 668 19 ARG CB C 30.64 0.40 1 86 668 19 ARG N N 122.18 0.20 1 87 669 20 PHE H H 8.37 0.02 1 88 669 20 PHE C C 175.79 0.10 1 89 669 20 PHE CA C 57.83 0.40 1 90 669 20 PHE CB C 39.64 0.40 1 91 669 20 PHE N N 120.85 0.20 1 92 670 21 SER H H 8.26 0.02 1 93 670 21 SER C C 174.34 0.10 1 94 670 21 SER CA C 58.11 0.40 1 95 670 21 SER CB C 63.98 0.40 1 96 670 21 SER N N 117.18 0.20 1 97 671 22 LEU H H 8.41 0.02 1 98 671 22 LEU C C 177.63 0.10 1 99 671 22 LEU CA C 55.34 0.40 1 100 671 22 LEU CB C 42.28 0.40 1 101 671 22 LEU N N 124.33 0.20 1 102 672 23 GLU H H 8.42 0.02 1 103 672 23 GLU C C 177.00 0.10 1 104 672 23 GLU CA C 56.84 0.40 1 105 672 23 GLU CB C 30.18 0.40 1 106 672 23 GLU N N 120.83 0.20 1 107 673 24 GLY H H 8.36 0.02 1 108 673 24 GLY C C 173.74 0.10 1 109 673 24 GLY CA C 45.21 0.40 1 110 673 24 GLY N N 109.88 0.20 1 111 674 25 ASP H H 8.26 0.02 1 112 674 25 ASP C C 175.70 0.10 1 113 674 25 ASP CA C 54.11 0.40 1 114 674 25 ASP CB C 41.32 0.40 1 115 674 25 ASP N N 120.42 0.20 1 116 675 26 ALA H H 8.23 0.02 1 117 675 26 ALA CA C 50.46 0.40 1 118 675 26 ALA CB C 18.23 0.40 1 119 675 26 ALA N N 125.16 0.20 1 120 676 27 PRO C C 177.04 0.10 1 121 677 28 VAL H H 8.31 0.02 1 122 677 28 VAL C C 176.29 0.10 1 123 677 28 VAL CA C 62.46 0.40 1 124 677 28 VAL CB C 32.91 0.40 1 125 677 28 VAL N N 120.46 0.20 1 126 678 29 SER H H 8.35 0.02 1 127 678 29 SER C C 174.43 0.10 1 128 678 29 SER CA C 57.93 0.40 1 129 678 29 SER CB C 63.70 0.40 1 130 678 29 SER N N 118.80 0.20 1 131 679 30 TRP H H 8.33 0.02 1 132 679 30 TRP C C 176.34 0.10 1 133 679 30 TRP CA C 57.77 0.40 1 134 679 30 TRP CB C 29.74 0.40 1 135 679 30 TRP N N 124.13 0.20 1 136 680 31 THR H H 7.92 0.02 1 137 680 31 THR C C 174.19 0.10 1 138 680 31 THR CA C 61.96 0.40 1 139 680 31 THR CB C 69.41 0.40 1 140 680 31 THR N N 115.47 0.20 1 141 681 32 GLU H H 8.29 0.02 1 142 681 32 GLU C C 176.86 0.10 1 143 681 32 GLU CA C 56.90 0.40 1 144 681 32 GLU CB C 30.21 0.40 1 145 681 32 GLU N N 123.05 0.20 1 146 682 33 THR H H 8.25 0.02 1 147 682 33 THR C C 174.85 0.10 1 148 682 33 THR CA C 62.64 0.40 1 149 682 33 THR CB C 69.06 0.40 1 150 682 33 THR N N 116.25 0.20 1 151 683 34 LYS H H 8.37 0.02 1 152 683 34 LYS C C 176.78 0.10 1 153 683 34 LYS CA C 56.61 0.40 1 154 683 34 LYS CB C 32.87 0.40 1 155 683 34 LYS N N 124.17 0.20 1 156 684 35 LYS H H 8.37 0.02 1 157 684 35 LYS C C 176.86 0.10 1 158 684 35 LYS CA C 56.64 0.40 1 159 684 35 LYS CB C 32.99 0.40 1 160 684 35 LYS N N 122.65 0.20 1 161 685 36 GLN H H 8.45 0.02 1 162 685 36 GLN C C 176.00 0.10 1 163 685 36 GLN CA C 55.97 0.40 1 164 685 36 GLN CB C 29.62 0.40 1 165 685 36 GLN N N 121.55 0.20 1 166 686 37 SER H H 8.37 0.02 1 167 686 37 SER C C 174.26 0.10 1 168 686 37 SER CA C 58.30 0.40 1 169 686 37 SER CB C 63.69 0.40 1 170 686 37 SER N N 117.18 0.20 1 171 687 38 PHE H H 8.34 0.02 1 172 687 38 PHE C C 175.64 0.10 1 173 687 38 PHE CA C 57.89 0.40 1 174 687 38 PHE CB C 39.63 0.40 1 175 687 38 PHE N N 122.49 0.20 1 176 688 39 LYS H H 8.25 0.02 1 177 688 39 LYS C C 176.21 0.10 1 178 688 39 LYS CA C 56.24 0.40 1 179 688 39 LYS CB C 33.17 0.40 1 180 688 39 LYS N N 123.04 0.20 1 181 689 40 GLN H H 8.49 0.02 1 182 689 40 GLN C C 176.22 0.10 1 183 689 40 GLN CA C 55.92 0.40 1 184 689 40 GLN CB C 29.52 0.40 1 185 689 40 GLN N N 121.91 0.20 1 186 690 41 THR H H 8.34 0.02 1 187 690 41 THR C C 175.17 0.10 1 188 690 41 THR CA C 62.31 0.40 1 189 690 41 THR CB C 69.41 0.40 1 190 690 41 THR N N 115.00 0.20 1 191 691 42 GLY H H 8.50 0.02 1 192 691 42 GLY C C 174.11 0.10 1 193 691 42 GLY CA C 45.42 0.40 1 194 691 42 GLY N N 111.17 0.20 1 195 692 43 GLU H H 8.34 0.02 1 196 692 43 GLU C C 176.39 0.10 1 197 692 43 GLU CA C 56.58 0.40 1 198 692 43 GLU CB C 30.48 0.40 1 199 692 43 GLU N N 120.77 0.20 1 200 693 44 PHE H H 8.46 0.02 1 201 693 44 PHE C C 176.42 0.10 1 202 693 44 PHE CA C 57.84 0.40 1 203 693 44 PHE CB C 39.47 0.40 1 204 693 44 PHE N N 120.63 0.20 1 205 694 45 GLY H H 8.33 0.02 1 206 694 45 GLY C C 174.12 0.10 1 207 694 45 GLY CA C 45.40 0.40 1 208 694 45 GLY N N 110.15 0.20 1 209 695 46 GLU H H 8.38 0.02 1 210 695 46 GLU C C 176.71 0.10 1 211 695 46 GLU CA C 56.59 0.40 1 212 695 46 GLU CB C 30.46 0.40 1 213 695 46 GLU N N 121.07 0.20 1 214 696 47 LYS H H 8.48 0.02 1 215 696 47 LYS C C 176.84 0.10 1 216 696 47 LYS CA C 56.58 0.40 1 217 696 47 LYS CB C 32.74 0.40 1 218 696 47 LYS N N 122.57 0.20 1 219 697 48 ARG H H 8.42 0.02 1 220 697 48 ARG C C 176.54 0.10 1 221 697 48 ARG CA C 56.26 0.40 1 222 697 48 ARG CB C 30.90 0.40 1 223 697 48 ARG N N 122.41 0.20 1 224 698 49 LYS H H 8.49 0.02 1 225 698 49 LYS C C 176.53 0.10 1 226 698 49 LYS CA C 56.19 0.40 1 227 698 49 LYS CB C 32.97 0.40 1 228 698 49 LYS N N 122.78 0.20 1 229 699 50 ASN H H 8.61 0.02 1 230 699 50 ASN C C 175.27 0.10 1 231 699 50 ASN CA C 53.29 0.40 1 232 699 50 ASN CB C 38.73 0.40 1 233 699 50 ASN N N 119.84 0.20 1 234 700 51 SER H H 8.32 0.02 1 235 700 51 SER C C 174.54 0.10 1 236 700 51 SER CA C 58.75 0.40 1 237 700 51 SER CB C 63.66 0.40 1 238 700 51 SER N N 116.56 0.20 1 239 701 52 ILE H H 8.21 0.02 1 240 701 52 ILE C C 176.19 0.10 1 241 701 52 ILE CA C 61.42 0.40 1 242 701 52 ILE CB C 38.44 0.40 1 243 701 52 ILE N N 122.51 0.20 1 244 702 53 LEU H H 8.25 0.02 1 245 702 53 LEU C C 176.62 0.10 1 246 702 53 LEU CA C 54.98 0.40 1 247 702 53 LEU CB C 42.43 0.40 1 248 702 53 LEU N N 125.14 0.20 1 249 703 54 ASN H H 8.40 0.02 1 250 703 54 ASN CA C 51.23 0.40 1 251 703 54 ASN CB C 38.88 0.40 1 252 703 54 ASN N N 120.46 0.20 1 253 704 55 PRO C C 177.21 0.10 1 254 704 55 PRO CA C 63.33 0.40 1 255 704 55 PRO CB C 32.25 0.40 1 256 705 56 ILE H H 8.26 0.02 1 257 705 56 ILE C C 176.26 0.10 1 258 705 56 ILE CA C 61.56 0.40 1 259 705 56 ILE CB C 38.44 0.40 1 260 705 56 ILE N N 120.39 0.20 1 261 706 57 ASN H H 8.44 0.02 1 262 706 57 ASN C C 175.22 0.10 1 263 706 57 ASN CA C 53.30 0.40 1 264 706 57 ASN CB C 38.82 0.40 1 265 706 57 ASN N N 121.77 0.20 1 266 707 58 SER H H 8.25 0.02 1 267 707 58 SER C C 174.45 0.10 1 268 707 58 SER CA C 58.60 0.40 1 269 707 58 SER CB C 63.69 0.40 1 270 707 58 SER N N 116.32 0.20 1 271 708 59 ILE H H 8.17 0.02 1 272 708 59 ILE C C 176.32 0.10 1 273 708 59 ILE CA C 61.50 0.40 1 274 708 59 ILE CB C 38.44 0.40 1 275 708 59 ILE N N 122.57 0.20 1 276 709 60 ARG H H 8.39 0.02 1 277 709 60 ARG C C 176.01 0.10 1 278 709 60 ARG CA C 56.14 0.40 1 279 709 60 ARG CB C 30.82 0.40 1 280 709 60 ARG N N 125.38 0.20 1 281 710 61 LYS H H 8.35 0.02 1 282 710 61 LYS C C 176.11 0.10 1 283 710 61 LYS CA C 56.24 0.40 1 284 710 61 LYS CB C 33.15 0.40 1 285 710 61 LYS N N 122.96 0.20 1 286 711 62 PHE H H 8.31 0.02 1 287 711 62 PHE C C 175.55 0.10 1 288 711 62 PHE CA C 57.47 0.40 1 289 711 62 PHE CB C 39.96 0.40 1 290 711 62 PHE N N 121.16 0.20 1 291 712 63 SER H H 8.30 0.02 1 292 712 63 SER C C 174.00 0.10 1 293 712 63 SER CA C 57.89 0.40 1 294 712 63 SER CB C 63.99 0.40 1 295 712 63 SER N N 117.73 0.20 1 296 713 64 ILE H H 8.27 0.02 1 297 713 64 ILE C C 176.23 0.10 1 298 713 64 ILE CA C 61.17 0.40 1 299 713 64 ILE CB C 38.82 0.40 1 300 713 64 ILE N N 122.72 0.20 1 301 714 65 VAL H H 8.29 0.02 1 302 714 65 VAL C C 175.96 0.10 1 303 714 65 VAL CA C 62.38 0.40 1 304 714 65 VAL CB C 32.65 0.40 1 305 714 65 VAL N N 124.99 0.20 1 306 715 66 GLN H H 8.56 0.02 1 307 715 66 GLN C C 175.69 0.10 1 308 715 66 GLN CA C 55.44 0.40 1 309 715 66 GLN CB C 29.68 0.40 1 310 715 66 GLN N N 125.38 0.20 1 311 716 67 LYS H H 8.54 0.02 1 312 716 67 LYS C C 176.53 0.10 1 313 716 67 LYS CA C 56.23 0.40 1 314 716 67 LYS CB C 33.40 0.40 1 315 716 67 LYS N N 123.87 0.20 1 316 717 68 THR H H 8.37 0.02 1 317 717 68 THR CA C 59.90 0.40 1 318 717 68 THR CB C 69.02 0.40 1 319 717 68 THR N N 117.88 0.20 1 320 721 72 MET C C 176.11 0.10 1 321 722 73 ASN H H 8.55 0.02 1 322 722 73 ASN C C 175.60 0.10 1 323 722 73 ASN CA C 53.40 0.40 1 324 722 73 ASN CB C 38.98 0.40 1 325 722 73 ASN N N 119.44 0.20 1 326 723 74 GLY H H 8.46 0.02 1 327 723 74 GLY C C 174.10 0.10 1 328 723 74 GLY CA C 45.16 0.40 1 329 723 74 GLY N N 109.30 0.20 1 330 724 75 ILE H H 8.21 0.02 1 331 724 75 ILE C C 176.29 0.10 1 332 724 75 ILE CA C 61.07 0.40 1 333 724 75 ILE CB C 39.12 0.40 1 334 724 75 ILE N N 119.84 0.20 1 335 725 76 GLU H H 8.63 0.02 1 336 725 76 GLU C C 176.40 0.10 1 337 725 76 GLU CA C 56.47 0.40 1 338 725 76 GLU CB C 30.28 0.40 1 339 725 76 GLU N N 125.22 0.20 1 340 726 77 GLU H H 8.54 0.02 1 341 726 77 GLU C C 176.16 0.10 1 342 726 77 GLU CA C 56.55 0.40 1 343 726 77 GLU CB C 30.52 0.40 1 344 726 77 GLU N N 122.49 0.20 1 345 727 78 ASP H H 8.56 0.02 1 346 727 78 ASP C C 176.21 0.10 1 347 727 78 ASP CA C 54.28 0.40 1 348 727 78 ASP CB C 41.26 0.40 1 349 727 78 ASP N N 122.02 0.20 1 350 728 79 SER H H 8.33 0.02 1 351 728 79 SER C C 174.33 0.10 1 352 728 79 SER CA C 58.26 0.40 1 353 728 79 SER CB C 64.05 0.40 1 354 728 79 SER N N 116.32 0.20 1 355 729 80 ASP H H 8.53 0.02 1 356 729 80 ASP C C 175.97 0.10 1 357 729 80 ASP CA C 54.21 0.40 1 358 729 80 ASP CB C 41.27 0.40 1 359 729 80 ASP N N 122.81 0.20 1 360 730 81 GLU H H 8.28 0.02 1 361 730 81 GLU CA C 54.49 0.40 1 362 730 81 GLU CB C 29.80 0.40 1 363 730 81 GLU N N 122.26 0.20 1 364 731 82 PRO C C 177.23 0.10 1 365 731 82 PRO CA C 63.21 0.40 1 366 731 82 PRO CB C 32.18 0.40 1 367 732 83 LEU H H 8.50 0.02 1 368 732 83 LEU C C 177.84 0.10 1 369 732 83 LEU CA C 56.19 0.40 1 370 732 83 LEU CB C 42.30 0.40 1 371 732 83 LEU N N 122.80 0.20 1 372 733 84 GLU H H 8.55 0.02 1 373 733 84 GLU C C 176.65 0.10 1 374 733 84 GLU CA C 56.99 0.40 1 375 733 84 GLU CB C 29.98 0.40 1 376 733 84 GLU N N 120.38 0.20 1 377 734 85 ARG H H 8.26 0.02 1 378 734 85 ARG C C 176.49 0.10 1 379 734 85 ARG CA C 56.62 0.40 1 380 734 85 ARG CB C 30.49 0.40 1 381 734 85 ARG N N 121.92 0.20 1 382 735 86 ARG H H 8.37 0.02 1 383 735 86 ARG C C 176.54 0.10 1 384 735 86 ARG CA C 56.54 0.40 1 385 735 86 ARG CB C 30.69 0.40 1 386 735 86 ARG N N 122.18 0.20 1 387 736 87 LEU H H 8.36 0.02 1 388 736 87 LEU C C 177.41 0.10 1 389 736 87 LEU CA C 55.33 0.40 1 390 736 87 LEU CB C 42.42 0.40 1 391 736 87 LEU N N 123.11 0.20 1 392 737 88 SER H H 8.29 0.02 1 393 737 88 SER C C 174.28 0.10 1 394 737 88 SER CA C 58.26 0.40 1 395 737 88 SER CB C 63.65 0.40 1 396 737 88 SER N N 116.42 0.20 1 397 738 89 LEU H H 8.31 0.02 1 398 738 89 LEU C C 177.10 0.10 1 399 738 89 LEU CA C 54.98 0.40 1 400 738 89 LEU CB C 42.36 0.40 1 401 738 89 LEU N N 124.19 0.20 1 402 739 90 VAL H H 8.20 0.02 1 403 739 90 VAL CA C 59.89 0.40 1 404 739 90 VAL CB C 32.63 0.40 1 405 739 90 VAL N N 122.72 0.20 1 406 740 91 PRO C C 176.76 0.10 1 407 740 91 PRO CA C 63.21 0.40 1 408 740 91 PRO CB C 32.22 0.40 1 409 741 92 ASP H H 8.58 0.02 1 410 741 92 ASP C C 176.69 0.10 1 411 741 92 ASP CA C 54.90 0.40 1 412 741 92 ASP CB C 40.96 0.40 1 413 741 92 ASP N N 121.16 0.20 1 414 742 93 SER H H 8.34 0.02 1 415 742 93 SER C C 174.90 0.10 1 416 742 93 SER CA C 61.56 0.40 1 417 742 93 SER CB C 63.67 0.40 1 418 742 93 SER N N 115.78 0.20 1 419 743 94 GLU H H 8.51 0.02 1 420 743 94 GLU C C 176.67 0.10 1 421 743 94 GLU CA C 58.70 0.40 1 422 743 94 GLU CB C 30.06 0.40 1 423 743 94 GLU N N 122.57 0.20 1 424 744 95 GLN H H 8.35 0.02 1 425 744 95 GLN C C 176.54 0.10 1 426 744 95 GLN CA C 56.23 0.40 1 427 744 95 GLN CB C 30.48 0.40 1 428 744 95 GLN N N 120.62 0.20 1 429 745 96 GLY H H 8.44 0.02 1 430 745 96 GLY C C 174.02 0.10 1 431 745 96 GLY CA C 45.31 0.40 1 432 745 96 GLY N N 109.91 0.20 1 433 746 97 GLU H H 8.35 0.02 1 434 746 97 GLU C C 176.24 0.10 1 435 746 97 GLU CA C 56.30 0.40 1 436 746 97 GLU CB C 30.48 0.40 1 437 746 97 GLU N N 120.69 0.20 1 438 747 98 ALA H H 8.40 0.02 1 439 747 98 ALA C C 177.41 0.10 1 440 747 98 ALA CA C 52.48 0.40 1 441 747 98 ALA CB C 19.28 0.40 1 442 747 98 ALA N N 125.14 0.20 1 443 748 99 ILE H H 8.20 0.02 1 444 748 99 ILE C C 176.16 0.10 1 445 748 99 ILE CA C 60.76 0.40 1 446 748 99 ILE CB C 38.47 0.40 1 447 748 99 ILE N N 120.65 0.20 1 448 749 100 LEU H H 8.38 0.02 1 449 749 100 LEU CA C 52.88 0.40 1 450 749 100 LEU CB C 41.70 0.40 1 451 749 100 LEU N N 128.25 0.20 1 452 750 101 PRO C C 176.67 0.10 1 453 750 101 PRO CA C 62.83 0.40 1 454 750 101 PRO CB C 32.33 0.40 1 455 751 102 ARG H H 8.50 0.02 1 456 751 102 ARG C C 176.39 0.10 1 457 751 102 ARG CA C 55.92 0.40 1 458 751 102 ARG CB C 30.89 0.40 1 459 751 102 ARG N N 121.87 0.20 1 460 752 103 ILE H H 8.30 0.02 1 461 752 103 ILE C C 176.16 0.10 1 462 752 103 ILE CA C 60.81 0.40 1 463 752 103 ILE CB C 38.81 0.40 1 464 752 103 ILE N N 122.49 0.20 1 465 753 104 SER H H 8.51 0.02 1 466 753 104 SER C C 174.27 0.10 1 467 753 104 SER CA C 58.19 0.40 1 468 753 104 SER CB C 63.79 0.40 1 469 753 104 SER N N 120.65 0.20 1 470 754 105 VAL H H 8.32 0.02 1 471 754 105 VAL C C 176.09 0.10 1 472 754 105 VAL CA C 62.30 0.40 1 473 754 105 VAL CB C 32.93 0.40 1 474 754 105 VAL N N 122.72 0.20 1 475 755 106 ILE H H 8.33 0.02 1 476 755 106 ILE C C 176.29 0.10 1 477 755 106 ILE CA C 61.00 0.40 1 478 755 106 ILE CB C 38.73 0.40 1 479 755 106 ILE N N 124.99 0.20 1 480 756 107 SER H H 8.56 0.02 1 481 756 107 SER C C 174.69 0.10 1 482 756 107 SER CA C 58.18 0.40 1 483 756 107 SER CB C 63.74 0.40 1 484 756 107 SER N N 120.77 0.20 1 485 757 108 THR H H 8.31 0.02 1 486 757 108 THR C C 174.75 0.10 1 487 757 108 THR CA C 61.56 0.40 1 488 757 108 THR CB C 69.40 0.40 1 489 757 108 THR N N 115.79 0.20 1 490 758 109 GLY H H 8.34 0.02 1 491 758 109 GLY CA C 44.95 0.40 1 492 758 109 GLY N N 111.07 0.20 1 493 759 110 PRO C C 177.56 0.10 1 494 759 110 PRO CA C 63.26 0.40 1 495 759 110 PRO CB C 32.22 0.40 1 496 760 111 THR H H 8.36 0.02 1 497 760 111 THR C C 174.89 0.10 1 498 760 111 THR CA C 62.31 0.40 1 499 760 111 THR CB C 69.40 0.40 1 500 760 111 THR N N 115.00 0.20 1 501 761 112 LEU H H 8.43 0.02 1 502 761 112 LEU C C 177.75 0.10 1 503 761 112 LEU CA C 55.85 0.40 1 504 761 112 LEU CB C 42.10 0.40 1 505 761 112 LEU N N 124.68 0.20 1 506 762 113 GLN H H 8.44 0.02 1 507 762 113 GLN C C 176.33 0.10 1 508 762 113 GLN CA C 56.67 0.40 1 509 762 113 GLN CB C 29.24 0.40 1 510 762 113 GLN N N 120.69 0.20 1 511 763 114 ALA H H 8.31 0.02 1 512 763 114 ALA C C 178.39 0.10 1 513 763 114 ALA CA C 53.23 0.40 1 514 763 114 ALA CB C 19.04 0.40 1 515 763 114 ALA N N 124.92 0.20 1 516 764 115 ARG H H 8.36 0.02 1 517 764 115 ARG C C 177.04 0.10 1 518 764 115 ARG CA C 56.68 0.40 1 519 764 115 ARG CB C 30.63 0.40 1 520 764 115 ARG N N 120.15 0.20 1 521 765 116 ARG H H 8.42 0.02 1 522 765 116 ARG C C 176.86 0.10 1 523 765 116 ARG CA C 56.59 0.40 1 524 765 116 ARG CB C 30.62 0.40 1 525 765 116 ARG N N 122.26 0.20 1 526 766 117 ARG H H 8.44 0.02 1 527 766 117 ARG C C 176.76 0.10 1 528 766 117 ARG CA C 56.66 0.40 1 529 766 117 ARG CB C 30.59 0.40 1 530 766 117 ARG N N 122.18 0.20 1 531 767 118 GLN H H 8.49 0.02 1 532 767 118 GLN C C 176.34 0.10 1 533 767 118 GLN CA C 56.35 0.40 1 534 767 118 GLN CB C 30.42 0.40 1 535 767 118 GLN N N 121.24 0.20 1 536 768 119 SER H H 8.43 0.02 1 537 768 119 SER C C 175.04 0.10 1 538 768 119 SER CA C 58.95 0.40 1 539 768 119 SER CB C 63.63 0.40 1 540 768 119 SER N N 117.17 0.20 1 541 769 120 VAL H H 8.18 0.02 1 542 769 120 VAL C C 176.62 0.10 1 543 769 120 VAL CA C 63.07 0.40 1 544 769 120 VAL CB C 32.93 0.40 1 545 769 120 VAL N N 121.78 0.20 1 546 770 121 LEU H H 8.21 0.02 1 547 770 121 LEU C C 177.49 0.10 1 548 770 121 LEU CA C 55.68 0.40 1 549 770 121 LEU CB C 42.08 0.40 1 550 770 121 LEU N N 124.14 0.20 1 551 771 122 ASN H H 8.42 0.02 1 552 771 122 ASN C C 175.43 0.10 1 553 771 122 ASN CA C 53.55 0.40 1 554 771 122 ASN CB C 38.70 0.40 1 555 771 122 ASN N N 119.30 0.20 1 556 772 123 LEU H H 8.18 0.02 1 557 772 123 LEU C C 177.78 0.10 1 558 772 123 LEU CA C 55.64 0.40 1 559 772 123 LEU CB C 42.16 0.40 1 560 772 123 LEU N N 122.18 0.20 1 561 773 124 MET H H 8.34 0.02 1 562 773 124 MET C C 176.66 0.10 1 563 773 124 MET CA C 55.77 0.40 1 564 773 124 MET CB C 32.61 0.40 1 565 773 124 MET N N 119.99 0.20 1 566 774 125 THR H H 8.06 0.02 1 567 774 125 THR C C 174.39 0.10 1 568 774 125 THR CA C 62.05 0.40 1 569 774 125 THR CB C 69.29 0.40 1 570 774 125 THR N N 114.37 0.20 1 571 775 126 HIS H H 8.38 0.02 1 572 775 126 HIS C C 175.00 0.10 1 573 775 126 HIS CA C 56.59 0.40 1 574 775 126 HIS CB C 30.46 0.40 1 575 775 126 HIS N N 121.16 0.20 1 576 776 127 SER H H 8.42 0.02 1 577 776 127 SER C C 174.72 0.10 1 578 776 127 SER CA C 58.36 0.40 1 579 776 127 SER CB C 63.72 0.40 1 580 776 127 SER N N 117.26 0.20 1 581 777 128 VAL H H 8.34 0.02 1 582 777 128 VAL C C 176.09 0.10 1 583 777 128 VAL CA C 62.44 0.40 1 584 777 128 VAL CB C 32.63 0.40 1 585 777 128 VAL N N 121.56 0.20 1 586 778 129 ASN H H 8.58 0.02 1 587 778 129 ASN C C 175.31 0.10 1 588 778 129 ASN CA C 53.33 0.40 1 589 778 129 ASN CB C 38.81 0.40 1 590 778 129 ASN N N 121.87 0.20 1 591 779 130 GLN H H 8.49 0.02 1 592 779 130 GLN C C 176.59 0.10 1 593 779 130 GLN CA C 56.23 0.40 1 594 779 130 GLN CB C 29.32 0.40 1 595 779 130 GLN N N 121.08 0.20 1 596 780 131 GLY H H 8.55 0.02 1 597 780 131 GLY C C 174.26 0.10 1 598 780 131 GLY CA C 45.46 0.40 1 599 780 131 GLY N N 109.75 0.20 1 600 781 132 GLN H H 8.32 0.02 1 601 781 132 GLN C C 175.83 0.10 1 602 781 132 GLN CA C 55.82 0.40 1 603 781 132 GLN CB C 29.59 0.40 1 604 781 132 GLN N N 119.51 0.20 1 605 782 133 ASN H H 8.61 0.02 1 606 782 133 ASN C C 175.22 0.10 1 607 782 133 ASN CA C 53.29 0.40 1 608 782 133 ASN CB C 38.73 0.40 1 609 782 133 ASN N N 119.84 0.20 1 610 783 134 ILE H H 8.08 0.02 1 611 783 134 ILE C C 176.05 0.10 1 612 783 134 ILE CA C 61.48 0.40 1 613 783 134 ILE CB C 38.62 0.40 1 614 783 134 ILE N N 120.54 0.20 1 615 784 135 HIS H H 8.51 0.02 1 616 784 135 HIS C C 174.94 0.10 1 617 784 135 HIS CA C 55.77 0.40 1 618 784 135 HIS CB C 30.08 0.40 1 619 784 135 HIS N N 123.11 0.20 1 620 785 136 ARG H H 8.41 0.02 1 621 785 136 ARG C C 176.10 0.10 1 622 785 136 ARG CA C 56.05 0.40 1 623 785 136 ARG CB C 30.22 0.40 1 624 785 136 ARG N N 123.11 0.20 1 625 786 137 LYS H H 8.59 0.02 1 626 786 137 LYS C C 176.90 0.10 1 627 786 137 LYS CA C 56.44 0.40 1 628 786 137 LYS CB C 33.09 0.40 1 629 786 137 LYS N N 123.36 0.20 1 630 787 138 THR H H 8.42 0.02 1 631 787 138 THR C C 174.72 0.10 1 632 787 138 THR CA C 61.65 0.40 1 633 787 138 THR CB C 69.40 0.40 1 634 787 138 THR N N 116.32 0.20 1 635 788 139 THR H H 8.33 0.02 1 636 788 139 THR C C 174.39 0.10 1 637 788 139 THR CA C 61.68 0.40 1 638 788 139 THR CB C 69.41 0.40 1 639 788 139 THR N N 116.95 0.20 1 640 789 140 ALA H H 8.50 0.02 1 641 789 140 ALA C C 177.97 0.10 1 642 789 140 ALA CA C 52.85 0.40 1 643 789 140 ALA CB C 19.37 0.40 1 644 789 140 ALA N N 126.70 0.20 1 645 790 141 SER H H 8.46 0.02 1 646 790 141 SER C C 175.08 0.10 1 647 790 141 SER CA C 58.58 0.40 1 648 790 141 SER CB C 63.65 0.40 1 649 790 141 SER N N 115.43 0.20 1 650 791 142 THR H H 8.29 0.02 1 651 791 142 THR C C 174.54 0.10 1 652 791 142 THR CA C 61.96 0.40 1 653 791 142 THR CB C 69.12 0.40 1 654 791 142 THR N N 116.40 0.20 1 655 792 143 ARG H H 8.34 0.02 1 656 792 143 ARG C C 176.15 0.10 1 657 792 143 ARG CA C 56.20 0.40 1 658 792 143 ARG CB C 30.93 0.40 1 659 792 143 ARG N N 123.90 0.20 1 660 793 144 LYS H H 8.49 0.02 1 661 793 144 LYS C C 176.53 0.10 1 662 793 144 LYS CA C 56.24 0.40 1 663 793 144 LYS CB C 33.04 0.40 1 664 793 144 LYS N N 123.82 0.20 1 665 794 145 VAL H H 8.30 0.02 1 666 794 145 VAL C C 176.01 0.10 1 667 794 145 VAL CA C 62.05 0.40 1 668 794 145 VAL CB C 33.03 0.40 1 669 794 145 VAL N N 122.33 0.20 1 670 795 146 SER H H 8.51 0.02 1 671 795 146 SER C C 174.26 0.10 1 672 795 146 SER CA C 57.93 0.40 1 673 795 146 SER CB C 63.69 0.40 1 674 795 146 SER N N 120.23 0.20 1 675 796 147 LEU H H 8.45 0.02 1 676 796 147 LEU C C 176.75 0.10 1 677 796 147 LEU CA C 54.67 0.40 1 678 796 147 LEU CB C 42.51 0.40 1 679 796 147 LEU N N 125.07 0.20 1 680 797 148 ALA H H 8.34 0.02 1 681 797 148 ALA CA C 50.52 0.40 1 682 797 148 ALA CB C 17.10 0.40 1 683 797 148 ALA N N 126.39 0.20 1 684 798 149 PRO C C 177.06 0.10 1 685 798 149 PRO CA C 63.20 0.40 1 686 798 149 PRO CB C 32.14 0.40 1 687 799 150 GLN H H 8.55 0.02 1 688 799 150 GLN C C 175.79 0.10 1 689 799 150 GLN CA C 55.77 0.40 1 690 799 150 GLN CB C 29.72 0.40 1 691 799 150 GLN N N 120.60 0.20 1 692 800 151 ALA H H 8.41 0.02 1 693 800 151 ALA C C 177.32 0.10 1 694 800 151 ALA CA C 52.62 0.40 1 695 800 151 ALA CB C 19.39 0.40 1 696 800 151 ALA N N 125.38 0.20 1 697 801 152 ASN H H 8.52 0.02 1 698 801 152 ASN C C 175.25 0.10 1 699 801 152 ASN CA C 52.97 0.40 1 700 801 152 ASN CB C 38.65 0.40 1 701 801 152 ASN N N 117.65 0.20 1 702 802 153 LEU H H 8.31 0.02 1 703 802 153 LEU C C 177.84 0.10 1 704 802 153 LEU CA C 55.72 0.40 1 705 802 153 LEU CB C 42.21 0.40 1 706 802 153 LEU N N 122.57 0.20 1 707 803 154 THR H H 8.35 0.02 1 708 803 154 THR C C 174.89 0.10 1 709 803 154 THR CA C 62.26 0.40 1 710 803 154 THR CB C 69.40 0.40 1 711 803 154 THR N N 114.24 0.20 1 712 804 155 GLU H H 8.47 0.02 1 713 804 155 GLU C C 176.86 0.10 1 714 804 155 GLU CA C 56.96 0.40 1 715 804 155 GLU CB C 30.32 0.40 1 716 804 155 GLU N N 122.33 0.20 1 717 805 156 LEU H H 8.17 0.02 1 718 805 156 LEU C C 177.68 0.10 1 719 805 156 LEU CA C 55.77 0.40 1 720 805 156 LEU CB C 42.49 0.40 1 721 805 156 LEU N N 121.94 0.20 1 722 806 157 ASP H H 8.29 0.02 1 723 806 157 ASP C C 177.16 0.10 1 724 806 157 ASP CA C 54.93 0.40 1 725 806 157 ASP CB C 41.26 0.40 1 726 806 157 ASP N N 121.39 0.20 1 727 807 158 ILE H H 7.97 0.02 1 728 807 158 ILE C C 176.93 0.10 1 729 807 158 ILE CA C 62.87 0.40 1 730 807 158 ILE CB C 38.40 0.40 1 731 807 158 ILE N N 119.54 0.20 1 732 808 159 TYR H H 8.16 0.02 1 733 808 159 TYR C C 176.80 0.10 1 734 808 159 TYR CA C 57.21 0.40 1 735 808 159 TYR CB C 38.37 0.40 1 736 808 159 TYR N N 121.71 0.20 1 737 809 160 SER H H 8.17 0.02 1 738 809 160 SER C C 175.19 0.10 1 739 809 160 SER CA C 59.45 0.40 1 740 809 160 SER CB C 63.27 0.40 1 741 809 160 SER N N 115.93 0.20 1 742 810 161 ARG H H 8.23 0.02 1 743 810 161 ARG C C 176.81 0.10 1 744 810 161 ARG CA C 56.97 0.40 1 745 810 161 ARG CB C 30.54 0.40 1 746 810 161 ARG N N 122.49 0.20 1 747 811 162 ARG H H 8.24 0.02 1 748 811 162 ARG C C 176.77 0.10 1 749 811 162 ARG CA C 56.95 0.40 1 750 811 162 ARG CB C 30.53 0.40 1 751 811 162 ARG N N 121.40 0.20 1 752 812 163 LEU H H 8.23 0.02 1 753 812 163 LEU C C 177.97 0.10 1 754 812 163 LEU CA C 55.41 0.40 1 755 812 163 LEU CB C 42.17 0.40 1 756 812 163 LEU N N 122.26 0.20 1 757 813 164 SER H H 8.27 0.02 1 758 813 164 SER C C 175.14 0.10 1 759 813 164 SER CA C 58.67 0.40 1 760 813 164 SER CB C 63.60 0.40 1 761 813 164 SER N N 115.85 0.20 1 762 814 165 GLN H H 8.47 0.02 1 763 814 165 GLN C C 176.29 0.10 1 764 814 165 GLN CA C 56.56 0.40 1 765 814 165 GLN CB C 30.19 0.40 1 766 814 165 GLN N N 122.49 0.20 1 767 815 166 GLU H H 8.43 0.02 1 768 815 166 GLU C C 177.06 0.10 1 769 815 166 GLU CA C 57.01 0.40 1 770 815 166 GLU CB C 29.33 0.40 1 771 815 166 GLU N N 121.16 0.20 1 772 816 167 THR H H 8.28 0.02 1 773 816 167 THR C C 175.46 0.10 1 774 816 167 THR CA C 62.02 0.40 1 775 816 167 THR CB C 69.38 0.40 1 776 816 167 THR N N 113.41 0.20 1 777 817 168 GLY H H 8.50 0.02 1 778 817 168 GLY C C 173.96 0.10 1 779 817 168 GLY CA C 45.42 0.40 1 780 817 168 GLY N N 111.24 0.20 1 781 818 169 LEU H H 8.08 0.02 1 782 818 169 LEU C C 177.24 0.10 1 783 818 169 LEU CA C 54.91 0.40 1 784 818 169 LEU CB C 42.61 0.40 1 785 818 169 LEU N N 121.16 0.20 1 786 819 170 GLU H H 8.57 0.02 1 787 819 170 GLU C C 176.39 0.10 1 788 819 170 GLU CA C 56.58 0.40 1 789 819 170 GLU CB C 30.12 0.40 1 790 819 170 GLU N N 121.98 0.20 1 791 820 171 ILE H H 8.33 0.02 1 792 820 171 ILE C C 176.20 0.10 1 793 820 171 ILE CA C 60.76 0.40 1 794 820 171 ILE CB C 38.86 0.40 1 795 820 171 ILE N N 122.88 0.20 1 796 821 172 SER H H 8.52 0.02 1 797 821 172 SER C C 174.44 0.10 1 798 821 172 SER CA C 58.20 0.40 1 799 821 172 SER CB C 63.78 0.40 1 800 821 172 SER N N 120.62 0.20 1 801 822 173 GLU H H 8.58 0.02 1 802 822 173 GLU C C 176.20 0.10 1 803 822 173 GLU CA C 56.47 0.40 1 804 822 173 GLU CB C 30.57 0.40 1 805 822 173 GLU N N 123.48 0.20 1 806 823 174 GLU H H 8.48 0.02 1 807 823 174 GLU C C 176.18 0.10 1 808 823 174 GLU CA C 56.27 0.40 1 809 823 174 GLU CB C 30.45 0.40 1 810 823 174 GLU N N 122.26 0.20 1 811 824 175 ILE H H 8.33 0.02 1 812 824 175 ILE C C 175.71 0.10 1 813 824 175 ILE CA C 60.78 0.40 1 814 824 175 ILE CB C 38.86 0.40 1 815 824 175 ILE N N 122.96 0.20 1 816 825 176 ASN H H 8.74 0.02 1 817 825 176 ASN C C 175.39 0.10 1 818 825 176 ASN CA C 52.88 0.40 1 819 825 176 ASN CB C 39.21 0.40 1 820 825 176 ASN N N 124.37 0.20 1 821 826 177 GLU H H 8.74 0.02 1 822 826 177 GLU C C 177.05 0.10 1 823 826 177 GLU CA C 57.42 0.40 1 824 826 177 GLU CB C 30.15 0.40 1 825 826 177 GLU N N 123.14 0.20 1 826 827 178 GLU H H 8.54 0.02 1 827 827 178 GLU C C 176.67 0.10 1 828 827 178 GLU CA C 57.37 0.40 1 829 827 178 GLU CB C 30.12 0.40 1 830 827 178 GLU N N 120.73 0.20 1 831 828 179 ASP H H 8.29 0.02 1 832 828 179 ASP C C 176.48 0.10 1 833 828 179 ASP CA C 54.56 0.40 1 834 828 179 ASP CB C 40.95 0.40 1 835 828 179 ASP N N 120.85 0.20 1 836 829 180 LEU H H 8.07 0.02 1 837 829 180 LEU C C 177.55 0.10 1 838 829 180 LEU CA C 55.33 0.40 1 839 829 180 LEU CB C 42.11 0.40 1 840 829 180 LEU N N 122.33 0.20 1 841 830 181 LYS H H 8.20 0.02 1 842 830 181 LYS C C 176.71 0.10 1 843 830 181 LYS CA C 56.57 0.40 1 844 830 181 LYS CB C 32.95 0.40 1 845 830 181 LYS N N 121.71 0.20 1 846 831 182 GLU H H 8.40 0.02 1 847 831 182 GLU C C 176.29 0.10 1 848 831 182 GLU CA C 56.61 0.40 1 849 831 182 GLU CB C 30.57 0.40 1 850 831 182 GLU N N 121.55 0.20 1 851 832 183 CYS H H 8.43 0.02 1 852 832 183 CYS C C 174.25 0.10 1 853 832 183 CYS CA C 58.60 0.40 1 854 832 183 CYS CB C 28.04 0.40 1 855 832 183 CYS N N 120.85 0.20 1 856 833 184 LEU H H 8.35 0.02 1 857 833 184 LEU C C 176.90 0.10 1 858 833 184 LEU CA C 54.99 0.40 1 859 833 184 LEU CB C 42.22 0.40 1 860 833 184 LEU N N 124.86 0.20 1 861 834 185 PHE H H 8.22 0.02 1 862 834 185 PHE C C 175.47 0.10 1 863 834 185 PHE CA C 57.45 0.40 1 864 834 185 PHE CB C 39.69 0.40 1 865 834 185 PHE N N 120.38 0.20 1 866 835 186 ASP H H 8.36 0.02 1 867 835 186 ASP C C 175.73 0.10 1 868 835 186 ASP CA C 54.41 0.40 1 869 835 186 ASP CB C 41.32 0.40 1 870 835 186 ASP N N 121.79 0.20 1 871 836 187 ASP H H 8.30 0.02 1 872 836 187 ASP C C 176.11 0.10 1 873 836 187 ASP CA C 54.22 0.40 1 874 836 187 ASP CB C 41.08 0.40 1 875 836 187 ASP N N 120.46 0.20 1 876 837 188 MET H H 8.27 0.02 1 877 837 188 MET C C 175.59 0.10 1 878 837 188 MET CA C 55.43 0.40 1 879 837 188 MET CB C 33.04 0.40 1 880 837 188 MET N N 120.38 0.20 1 881 838 189 GLU H H 8.05 0.02 1 882 838 189 GLU CA C 58.24 0.40 1 883 838 189 GLU CB C 30.98 0.40 1 884 838 189 GLU N N 127.07 0.20 1 stop_ save_