data_30297 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N chemical shift assignments of the HIV-1 gp41 cytoplasmic tail, residues 752-856 ; _BMRB_accession_number 30297 _BMRB_flat_file_name bmr30297.str _Entry_type original _Submission_date 2017-05-22 _Accession_date 2017-05-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saad J. S. . 2 Murphy R. E. . 3 Samal A. . . 4 Vlach J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 560 "13C chemical shifts" 462 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-02 original BMRB . stop_ _Original_release_date 2017-05-25 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure and Membrane Interaction of the Cytoplasmic Tail of HIV-1 gp41 Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29056482 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Murphy 'R Elliot' E. . 2 Samal Alexandra B. . 3 Vlach Jiri . . 4 Saad Jamil S. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 0969-2126 _Journal_issue 17 _Journal_ISSN 1878-4186 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 30301 _Page_last 30305 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cytoplasmic Tail of HIV-1 gp41 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 12398.524 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; SLALIWDDLRSLCLFSYHRL RDLLLIVTRIVELLGRRGWE ALKYWWNLLQYWSQELKNSA VNLLNATAIAVAEGTDRVIE VLQAAYRAIRHIPRRIRQGL ERILL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 752 SER 2 753 LEU 3 754 ALA 4 755 LEU 5 756 ILE 6 757 TRP 7 758 ASP 8 759 ASP 9 760 LEU 10 761 ARG 11 762 SER 12 763 LEU 13 764 CYS 14 765 LEU 15 766 PHE 16 767 SER 17 768 TYR 18 769 HIS 19 770 ARG 20 771 LEU 21 772 ARG 22 773 ASP 23 774 LEU 24 775 LEU 25 776 LEU 26 777 ILE 27 778 VAL 28 779 THR 29 780 ARG 30 781 ILE 31 782 VAL 32 783 GLU 33 784 LEU 34 785 LEU 35 786 GLY 36 787 ARG 37 788 ARG 38 789 GLY 39 790 TRP 40 791 GLU 41 792 ALA 42 793 LEU 43 794 LYS 44 795 TYR 45 796 TRP 46 797 TRP 47 798 ASN 48 799 LEU 49 800 LEU 50 801 GLN 51 802 TYR 52 803 TRP 53 804 SER 54 805 GLN 55 806 GLU 56 807 LEU 57 808 LYS 58 809 ASN 59 810 SER 60 811 ALA 61 812 VAL 62 813 ASN 63 814 LEU 64 815 LEU 65 816 ASN 66 817 ALA 67 818 THR 68 819 ALA 69 820 ILE 70 821 ALA 71 822 VAL 72 823 ALA 73 824 GLU 74 825 GLY 75 826 THR 76 827 ASP 77 828 ARG 78 829 VAL 79 830 ILE 80 831 GLU 81 832 VAL 82 833 LEU 83 834 GLN 84 835 ALA 85 836 ALA 86 837 TYR 87 838 ARG 88 839 ALA 89 840 ILE 90 841 ARG 91 842 HIS 92 843 ILE 93 844 PRO 94 845 ARG 95 846 ARG 96 847 ILE 97 848 ARG 98 849 GLN 99 850 GLY 100 851 LEU 101 852 GLU 102 853 ARG 103 854 ILE 104 855 LEU 105 856 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 HIV-1 11676 Viruses . Lentivirus HIV-1 env stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' plasmid pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details '500 uM gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DPC 25 mM 'natural abundance' TCEP 1 mM 'natural abundance' $entity_1 500 uM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type micelle _Details '500 uM [U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DPC 25 mM 'natural abundance' TCEP 1 mM 'natural abundance' $entity_1 500 uM '[U-99% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type micelle _Details '500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DPC 25 mM 'natural abundance' TCEP 1 mM 'natural abundance' $entity_1 500 uM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Analysis _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 700 _Details 'triple resonance cryo-probe' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_HMQC_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C HMQC NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.0 . pH pressure 1 . atm temperature 324 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCACB' '3D HN(CO)CA' '3D HNCA' '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-13C HSQC aromatic' '2D 1H-13C HSQC aliphatic' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D 1H-13C HMQC NOESY' stop_ loop_ _Sample_label $sample_3 $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 752 1 SER HA H 4.157 0.01 1 2 752 1 SER HB2 H 4.127 0.01 2 3 752 1 SER HB3 H 3.972 0.01 2 4 752 1 SER CA C 57.137 0.1 1 5 752 1 SER CB C 64.528 0.002 1 6 753 2 LEU HA H 4.247 0.004 1 7 753 2 LEU HB2 H 1.702 0.01 1 8 753 2 LEU C C 176.581 0.1 1 9 753 2 LEU CA C 56.846 0.042 1 10 753 2 LEU CB C 42.127 0.004 1 11 753 2 LEU CG C 27.139 0.1 1 12 753 2 LEU CD1 C 25.176 0.1 2 13 753 2 LEU CD2 C 24.322 0.1 2 14 754 3 ALA H H 8.332 0.001 1 15 754 3 ALA HA H 4.153 0.005 1 16 754 3 ALA HB H 1.426 0.002 1 17 754 3 ALA C C 178.040 0.1 1 18 754 3 ALA CA C 54.294 0.07 1 19 754 3 ALA CB C 18.816 0.044 1 20 754 3 ALA N N 121.475 0.031 1 21 755 4 LEU H H 7.637 0.002 1 22 755 4 LEU HA H 4.304 0.009 1 23 755 4 LEU HB2 H 1.651 0.005 2 24 755 4 LEU HB3 H 1.677 0.01 2 25 755 4 LEU HG H 1.667 0.01 1 26 755 4 LEU C C 177.526 0.1 1 27 755 4 LEU CA C 56.434 0.05 1 28 755 4 LEU CB C 42.170 0.03 1 29 755 4 LEU CG C 27.162 0.019 1 30 755 4 LEU CD1 C 23.990 0.1 2 31 755 4 LEU CD2 C 25.085 0.1 2 32 755 4 LEU N N 118.064 0.017 1 33 756 5 ILE H H 7.718 0.001 1 34 756 5 ILE HA H 4.172 0.007 1 35 756 5 ILE HB H 2.043 0.002 1 36 756 5 ILE HG12 H 1.535 0.002 2 37 756 5 ILE HG13 H 1.235 0.012 2 38 756 5 ILE HG2 H 0.877 0.001 1 39 756 5 ILE HD1 H 0.865 0.002 1 40 756 5 ILE C C 176.668 0.1 1 41 756 5 ILE CA C 62.667 0.062 1 42 756 5 ILE CB C 38.492 0.035 1 43 756 5 ILE CG1 C 28.098 0.029 1 44 756 5 ILE CG2 C 17.726 0.052 1 45 756 5 ILE CD1 C 13.584 0.051 1 46 756 5 ILE N N 117.614 0.038 1 47 757 6 TRP H H 8.107 0.002 1 48 757 6 TRP HA H 4.476 0.008 1 49 757 6 TRP HB2 H 3.343 0.01 2 50 757 6 TRP HB3 H 3.375 0.01 2 51 757 6 TRP HD1 H 7.301 0.007 1 52 757 6 TRP HE1 H 10.129 0.01 1 53 757 6 TRP HE3 H 7.475 0.004 1 54 757 6 TRP HZ2 H 7.456 0.015 1 55 757 6 TRP HZ3 H 6.920 0.0 1 56 757 6 TRP HH2 H 7.059 0.008 1 57 757 6 TRP C C 176.753 0.1 1 58 757 6 TRP CA C 59.935 0.055 1 59 757 6 TRP CB C 29.885 0.028 1 60 757 6 TRP CD1 C 127.656 0.1 1 61 757 6 TRP CZ2 C 114.548 0.1 1 62 757 6 TRP CH2 C 123.762 0.028 1 63 757 6 TRP N N 121.600 0.04 1 64 757 6 TRP NE1 N 127.283 0.1 1 65 758 7 ASP H H 8.164 0.003 1 66 758 7 ASP HA H 4.285 0.01 1 67 758 7 ASP HB2 H 2.682 0.001 2 68 758 7 ASP HB3 H 2.688 0.01 2 69 758 7 ASP C C 178.130 0.1 1 70 758 7 ASP CA C 57.645 0.044 1 71 758 7 ASP CB C 40.796 0.008 1 72 758 7 ASP N N 117.434 0.035 1 73 759 8 ASP H H 7.869 0.002 1 74 759 8 ASP HA H 4.491 0.006 1 75 759 8 ASP HB2 H 2.587 0.003 2 76 759 8 ASP HB3 H 2.850 0.006 2 77 759 8 ASP C C 177.641 0.1 1 78 759 8 ASP CA C 56.700 0.051 1 79 759 8 ASP CB C 40.168 0.035 1 80 759 8 ASP N N 119.360 0.016 1 81 760 9 LEU H H 8.192 0.002 1 82 760 9 LEU HA H 4.054 0.002 1 83 760 9 LEU HB2 H 1.775 0.012 2 84 760 9 LEU HB3 H 1.586 0.009 2 85 760 9 LEU HG H 1.774 0.009 1 86 760 9 LEU HD1 H 0.857 0.01 1 87 760 9 LEU C C 178.212 0.1 1 88 760 9 LEU CA C 57.917 0.056 1 89 760 9 LEU CB C 41.874 0.048 1 90 760 9 LEU CG C 27.199 0.046 1 91 760 9 LEU CD1 C 24.154 0.014 2 92 760 9 LEU CD2 C 25.021 0.1 2 93 760 9 LEU N N 120.914 0.036 1 94 761 10 ARG H H 8.325 0.005 1 95 761 10 ARG HA H 3.665 0.012 1 96 761 10 ARG HB2 H 1.710 0.01 1 97 761 10 ARG HB3 H 1.710 0.01 1 98 761 10 ARG HG2 H 1.422 0.007 2 99 761 10 ARG HG3 H 1.420 0.007 2 100 761 10 ARG HD2 H 3.132 0.003 2 101 761 10 ARG HD3 H 3.131 0.01 2 102 761 10 ARG C C 177.664 0.1 1 103 761 10 ARG CA C 60.049 0.067 1 104 761 10 ARG CB C 29.709 0.08 1 105 761 10 ARG CG C 27.570 0.049 1 106 761 10 ARG CD C 43.543 0.039 1 107 761 10 ARG N N 119.080 0.041 1 108 762 11 SER H H 7.850 0.002 1 109 762 11 SER HA H 4.198 0.001 1 110 762 11 SER HB2 H 4.036 0.003 2 111 762 11 SER HB3 H 3.939 0.006 2 112 762 11 SER C C 175.779 0.1 1 113 762 11 SER CA C 61.613 0.059 1 114 762 11 SER CB C 63.091 0.071 1 115 762 11 SER N N 113.707 0.026 1 116 763 12 LEU H H 7.890 0.007 1 117 763 12 LEU HA H 4.129 0.002 1 118 763 12 LEU HB2 H 1.771 0.01 1 119 763 12 LEU C C 178.040 0.1 1 120 763 12 LEU CA C 57.646 0.059 1 121 763 12 LEU CB C 42.333 0.009 1 122 763 12 LEU CG C 27.084 0.1 1 123 763 12 LEU CD1 C 25.273 0.1 2 124 763 12 LEU CD2 C 24.178 0.1 2 125 763 12 LEU N N 122.003 0.049 1 126 764 13 CYS H H 8.235 0.003 1 127 764 13 CYS HA H 4.152 0.002 1 128 764 13 CYS HB2 H 2.762 0.009 2 129 764 13 CYS HB3 H 3.058 0.003 2 130 764 13 CYS C C 175.136 0.1 1 131 764 13 CYS CA C 62.923 0.033 1 132 764 13 CYS CB C 27.041 0.022 1 133 764 13 CYS N N 118.167 0.015 1 134 765 14 LEU H H 8.026 0.003 1 135 765 14 LEU HA H 4.091 0.008 1 136 765 14 LEU HB2 H 1.681 0.01 1 137 765 14 LEU HG H 1.683 0.01 1 138 765 14 LEU HD1 H 0.896 0.005 2 139 765 14 LEU HD2 H 0.858 0.008 2 140 765 14 LEU C C 177.610 0.1 1 141 765 14 LEU CA C 57.708 0.069 1 142 765 14 LEU CB C 41.853 0.007 1 143 765 14 LEU CG C 27.230 0.1 1 144 765 14 LEU CD1 C 24.976 0.021 2 145 765 14 LEU CD2 C 23.889 0.031 2 146 765 14 LEU N N 120.071 0.024 1 147 766 15 PHE H H 8.037 0.002 1 148 766 15 PHE HA H 4.489 0.005 1 149 766 15 PHE HB2 H 3.239 0.005 2 150 766 15 PHE HB3 H 3.242 0.003 2 151 766 15 PHE HD1 H 7.292 0.003 1 152 766 15 PHE HD2 H 7.292 0.003 1 153 766 15 PHE HE1 H 7.295 0.002 1 154 766 15 PHE HE2 H 7.295 0.002 1 155 766 15 PHE HZ H 7.251 0.003 1 156 766 15 PHE C C 176.302 0.1 1 157 766 15 PHE CA C 59.743 0.054 1 158 766 15 PHE CB C 39.476 0.025 1 159 766 15 PHE CD1 C 132.096 0.034 1 160 766 15 PHE CD2 C 132.096 0.034 1 161 766 15 PHE CE1 C 131.181 0.051 1 162 766 15 PHE CE2 C 131.181 0.051 1 163 766 15 PHE CZ C 129.501 0.1 1 164 766 15 PHE N N 117.862 0.022 1 165 767 16 SER H H 8.016 0.006 1 166 767 16 SER HA H 4.191 0.005 1 167 767 16 SER HB2 H 3.789 0.007 2 168 767 16 SER HB3 H 4.031 0.007 2 169 767 16 SER C C 174.554 0.1 1 170 767 16 SER CA C 60.717 0.036 1 171 767 16 SER CB C 63.896 0.047 1 172 767 16 SER N N 114.512 0.032 1 173 768 17 TYR H H 8.318 0.003 1 174 768 17 TYR HA H 4.157 0.01 1 175 768 17 TYR HB2 H 3.097 0.011 2 176 768 17 TYR HB3 H 3.084 0.012 2 177 768 17 TYR HD1 H 6.828 0.013 1 178 768 17 TYR HD2 H 6.828 0.013 1 179 768 17 TYR HE1 H 6.738 0.007 1 180 768 17 TYR HE2 H 6.738 0.007 1 181 768 17 TYR CA C 61.070 0.045 1 182 768 17 TYR CB C 38.456 0.059 1 183 768 17 TYR CD1 C 132.789 0.039 1 184 768 17 TYR CD2 C 132.789 0.039 1 185 768 17 TYR CE1 C 118.104 0.03 1 186 768 17 TYR CE2 C 118.104 0.03 1 187 768 17 TYR N N 122.025 0.012 1 188 769 18 HIS HA H 4.091 0.004 1 189 769 18 HIS HB2 H 3.189 0.004 2 190 769 18 HIS HB3 H 3.145 0.001 2 191 769 18 HIS HD2 H 7.110 0.013 1 192 769 18 HIS HE1 H 8.162 0.012 1 193 769 18 HIS C C 176.579 0.1 1 194 769 18 HIS CA C 58.973 0.036 1 195 769 18 HIS CB C 29.500 0.051 1 196 769 18 HIS CD2 C 119.461 0.052 1 197 769 18 HIS CE1 C 137.998 0.1 1 198 770 19 ARG H H 7.773 0.005 1 199 770 19 ARG HA H 4.281 0.01 1 200 770 19 ARG HB2 H 1.756 0.007 1 201 770 19 ARG HB3 H 1.756 0.007 1 202 770 19 ARG HG2 H 1.528 0.001 2 203 770 19 ARG HG3 H 1.462 0.004 2 204 770 19 ARG HD2 H 3.095 0.002 2 205 770 19 ARG HD3 H 3.097 0.003 2 206 770 19 ARG CA C 57.201 0.031 1 207 770 19 ARG CB C 30.155 0.043 1 208 770 19 ARG CG C 26.763 0.004 1 209 770 19 ARG CD C 42.889 0.077 1 210 770 19 ARG N N 117.702 0.026 1 211 772 21 ARG HB2 H 1.895 0.01 1 212 772 21 ARG HG2 H 1.619 0.004 1 213 772 21 ARG HD2 H 3.105 0.011 1 214 772 21 ARG C C 176.168 0.1 1 215 772 21 ARG CA C 57.469 0.1 1 216 772 21 ARG CB C 30.097 0.024 1 217 772 21 ARG CG C 27.224 0.001 1 218 772 21 ARG CD C 43.330 0.121 1 219 773 22 ASP H H 7.769 0.005 1 220 773 22 ASP HA H 4.424 0.001 1 221 773 22 ASP HB2 H 2.610 0.01 2 222 773 22 ASP HB3 H 2.836 0.007 2 223 773 22 ASP C C 178.038 0.1 1 224 773 22 ASP CA C 57.550 0.037 1 225 773 22 ASP CB C 40.439 0.038 1 226 773 22 ASP N N 118.813 0.056 1 227 774 23 LEU H H 7.922 0.003 1 228 774 23 LEU HA H 4.077 0.01 1 229 774 23 LEU HB2 H 1.789 0.01 1 230 774 23 LEU C C 177.919 0.1 1 231 774 23 LEU CA C 57.922 0.0 1 232 774 23 LEU CB C 41.815 0.003 1 233 774 23 LEU N N 119.775 0.008 1 234 775 24 LEU H H 8.255 0.004 1 235 775 24 LEU HA H 3.979 0.003 1 236 775 24 LEU CA C 58.112 0.068 1 237 775 24 LEU CB C 41.315 0.1 1 238 775 24 LEU N N 118.642 0.043 1 239 776 25 LEU C C 178.968 0.1 1 240 776 25 LEU CA C 58.237 0.012 1 241 776 25 LEU CB C 41.539 0.041 1 242 777 26 ILE H H 7.749 0.004 1 243 777 26 ILE HA H 3.795 0.006 1 244 777 26 ILE HB H 2.129 0.005 1 245 777 26 ILE HG12 H 1.805 0.002 2 246 777 26 ILE HG13 H 1.792 0.01 2 247 777 26 ILE HG2 H 0.943 0.004 1 248 777 26 ILE HD1 H 0.896 0.002 1 249 777 26 ILE C C 177.189 0.1 1 250 777 26 ILE CA C 64.945 0.023 1 251 777 26 ILE CB C 37.886 0.036 1 252 777 26 ILE CG1 C 29.295 0.043 1 253 777 26 ILE CG2 C 17.646 0.067 1 254 777 26 ILE CD1 C 13.436 0.062 1 255 777 26 ILE N N 119.405 0.051 1 256 778 27 VAL H H 8.222 0.003 1 257 778 27 VAL HA H 3.557 0.008 1 258 778 27 VAL HB H 2.235 0.002 1 259 778 27 VAL HG1 H 1.048 0.001 2 260 778 27 VAL HG2 H 0.921 0.01 2 261 778 27 VAL C C 177.039 0.1 1 262 778 27 VAL CA C 67.291 0.036 1 263 778 27 VAL CB C 31.448 0.066 1 264 778 27 VAL CG1 C 23.141 0.022 2 265 778 27 VAL CG2 C 21.690 0.028 2 266 778 27 VAL N N 118.541 0.038 1 267 779 28 THR H H 8.256 0.003 1 268 779 28 THR HA H 3.810 0.007 1 269 779 28 THR HB H 4.313 0.01 1 270 779 28 THR HG2 H 1.282 0.007 1 271 779 28 THR C C 175.729 0.1 1 272 779 28 THR CA C 67.347 0.073 1 273 779 28 THR CB C 68.600 0.037 1 274 779 28 THR CG2 C 21.799 0.037 1 275 779 28 THR N N 113.370 0.049 1 276 780 29 ARG H H 7.694 0.003 1 277 780 29 ARG HA H 4.214 0.002 1 278 780 29 ARG HB2 H 1.970 0.01 2 279 780 29 ARG HB3 H 2.092 0.0 2 280 780 29 ARG HD2 H 3.223 0.01 1 281 780 29 ARG C C 178.092 0.1 1 282 780 29 ARG CA C 58.624 0.055 1 283 780 29 ARG CB C 29.836 0.061 1 284 780 29 ARG CG C 27.293 0.1 1 285 780 29 ARG CD C 43.344 0.019 1 286 780 29 ARG N N 120.921 0.02 1 287 781 30 ILE H H 8.037 0.002 1 288 781 30 ILE HA H 3.711 0.002 1 289 781 30 ILE HB H 2.098 0.006 1 290 781 30 ILE HG12 H 1.094 0.007 1 291 781 30 ILE HG2 H 0.889 0.002 1 292 781 30 ILE HD1 H 0.825 0.002 1 293 781 30 ILE C C 176.869 0.1 1 294 781 30 ILE CA C 65.429 0.054 1 295 781 30 ILE CB C 37.673 0.067 1 296 781 30 ILE CG1 C 29.253 0.025 1 297 781 30 ILE CG2 C 17.552 0.043 1 298 781 30 ILE CD1 C 13.494 0.08 1 299 781 30 ILE N N 119.244 0.007 1 300 782 31 VAL H H 8.221 0.004 1 301 782 31 VAL HA H 3.533 0.001 1 302 782 31 VAL HB H 2.203 0.01 1 303 782 31 VAL HG1 H 0.870 0.002 2 304 782 31 VAL HG2 H 1.019 0.012 2 305 782 31 VAL C C 177.849 0.1 1 306 782 31 VAL CA C 67.258 0.03 1 307 782 31 VAL CB C 31.385 0.04 1 308 782 31 VAL CG1 C 21.792 0.053 2 309 782 31 VAL CG2 C 23.231 0.01 2 310 782 31 VAL N N 118.932 0.027 1 311 783 32 GLU H H 8.022 0.002 1 312 783 32 GLU HA H 4.027 0.003 1 313 783 32 GLU HB2 H 2.151 0.009 2 314 783 32 GLU HB3 H 2.202 0.01 2 315 783 32 GLU HG2 H 2.477 0.012 2 316 783 32 GLU HG3 H 2.463 0.01 2 317 783 32 GLU C C 178.074 0.1 1 318 783 32 GLU CA C 59.548 0.053 1 319 783 32 GLU CB C 29.761 0.047 1 320 783 32 GLU CG C 36.458 0.026 1 321 783 32 GLU N N 119.477 0.031 1 322 784 33 LEU H H 7.889 0.002 1 323 784 33 LEU HA H 4.139 0.01 1 324 784 33 LEU HB2 H 1.663 0.012 2 325 784 33 LEU HB3 H 1.949 0.001 2 326 784 33 LEU HD1 H 0.925 0.01 1 327 784 33 LEU C C 178.144 0.1 1 328 784 33 LEU CA C 57.570 0.043 1 329 784 33 LEU CB C 42.586 0.018 1 330 784 33 LEU CG C 27.030 0.1 1 331 784 33 LEU CD1 C 25.339 0.1 2 332 784 33 LEU CD2 C 24.209 0.1 2 333 784 33 LEU N N 119.294 0.009 1 334 785 34 LEU H H 8.098 0.004 1 335 785 34 LEU HA H 4.125 0.002 1 336 785 34 LEU HB2 H 1.882 0.003 2 337 785 34 LEU HB3 H 1.447 0.001 2 338 785 34 LEU HD1 H 0.791 0.001 2 339 785 34 LEU HD2 H 0.805 0.002 2 340 785 34 LEU C C 178.191 0.1 1 341 785 34 LEU CA C 56.907 0.036 1 342 785 34 LEU CB C 42.467 0.047 1 343 785 34 LEU CG C 26.832 0.071 1 344 785 34 LEU CD1 C 23.347 0.032 2 345 785 34 LEU CD2 C 25.757 0.036 2 346 785 34 LEU N N 117.461 0.012 1 347 786 35 GLY H H 8.117 0.004 1 348 786 35 GLY HA2 H 3.893 0.01 2 349 786 35 GLY HA3 H 3.962 0.01 2 350 786 35 GLY C C 175.556 0.1 1 351 786 35 GLY CA C 46.207 0.015 1 352 786 35 GLY N N 105.712 0.03 1 353 787 36 ARG H H 8.215 0.003 1 354 787 36 ARG HA H 4.222 0.008 1 355 787 36 ARG HB2 H 1.965 0.004 2 356 787 36 ARG HB3 H 1.963 0.005 2 357 787 36 ARG HD2 H 3.254 0.002 1 358 787 36 ARG C C 177.438 0.1 1 359 787 36 ARG CA C 58.696 0.039 1 360 787 36 ARG CB C 30.435 0.053 1 361 787 36 ARG CG C 27.522 0.006 1 362 787 36 ARG CD C 43.442 0.023 1 363 787 36 ARG N N 120.359 0.057 1 364 788 37 ARG H H 8.285 0.004 1 365 788 37 ARG HA H 4.308 0.008 1 366 788 37 ARG HB2 H 1.932 0.01 1 367 788 37 ARG HG2 H 1.742 0.01 1 368 788 37 ARG HD2 H 3.233 0.01 1 369 788 37 ARG HD3 H 3.233 0.01 1 370 788 37 ARG C C 177.716 0.1 1 371 788 37 ARG CA C 57.564 0.061 1 372 788 37 ARG CB C 30.468 0.032 1 373 788 37 ARG CG C 27.510 0.045 1 374 788 37 ARG CD C 43.236 0.013 1 375 788 37 ARG N N 117.339 0.044 1 376 789 38 GLY H H 8.057 0.002 1 377 789 38 GLY HA2 H 3.846 0.01 2 378 789 38 GLY HA3 H 3.966 0.01 2 379 789 38 GLY C C 173.851 0.1 1 380 789 38 GLY CA C 46.715 0.011 1 381 789 38 GLY N N 107.143 0.032 1 382 790 39 TRP H H 8.184 0.006 1 383 790 39 TRP HA H 4.514 0.011 1 384 790 39 TRP HB2 H 3.345 0.01 2 385 790 39 TRP HB3 H 3.349 0.01 2 386 790 39 TRP HD1 H 7.304 0.013 1 387 790 39 TRP HE1 H 10.481 0.01 1 388 790 39 TRP HE3 H 7.479 0.012 1 389 790 39 TRP HZ2 H 7.464 0.013 1 390 790 39 TRP HZ3 H 6.896 0.009 1 391 790 39 TRP HH2 H 7.013 0.009 1 392 790 39 TRP C C 177.458 0.1 1 393 790 39 TRP CA C 59.765 0.036 1 394 790 39 TRP CB C 29.797 0.1 1 395 790 39 TRP CD1 C 127.966 0.1 1 396 790 39 TRP CZ2 C 114.582 0.1 1 397 790 39 TRP CH2 C 123.684 0.067 1 398 790 39 TRP N N 121.280 0.014 1 399 790 39 TRP NE1 N 129.452 0.1 1 400 791 40 GLU H H 8.417 0.003 1 401 791 40 GLU HA H 3.906 0.01 1 402 791 40 GLU HB2 H 2.111 0.01 2 403 791 40 GLU HB3 H 2.109 0.01 2 404 791 40 GLU HG2 H 2.384 0.007 2 405 791 40 GLU HG3 H 2.398 0.01 2 406 791 40 GLU C C 178.705 0.1 1 407 791 40 GLU CA C 59.582 0.081 1 408 791 40 GLU CB C 29.215 0.016 1 409 791 40 GLU CG C 36.617 0.035 1 410 791 40 GLU N N 117.453 0.014 1 411 792 41 ALA H H 7.807 0.001 1 412 792 41 ALA HA H 4.150 0.008 1 413 792 41 ALA HB H 1.448 0.002 1 414 792 41 ALA C C 178.206 0.1 1 415 792 41 ALA CA C 54.920 0.062 1 416 792 41 ALA CB C 18.504 0.029 1 417 792 41 ALA N N 121.527 0.025 1 418 793 42 LEU H H 7.755 0.003 1 419 793 42 LEU HA H 4.194 0.002 1 420 793 42 LEU HB2 H 1.835 0.01 2 421 793 42 LEU HB3 H 1.845 0.01 2 422 793 42 LEU HG H 1.635 0.01 1 423 793 42 LEU HD1 H 0.890 0.01 1 424 793 42 LEU C C 177.986 0.1 1 425 793 42 LEU CA C 57.947 0.065 1 426 793 42 LEU CB C 41.851 0.029 1 427 793 42 LEU CG C 27.243 0.1 1 428 793 42 LEU CD1 C 24.732 0.001 2 429 793 42 LEU CD2 C 25.663 0.1 2 430 793 42 LEU N N 116.956 0.033 1 431 794 43 LYS H H 7.990 0.002 1 432 794 43 LYS HA H 3.871 0.009 1 433 794 43 LYS HB2 H 1.776 0.005 2 434 794 43 LYS HB3 H 1.724 0.003 2 435 794 43 LYS HG2 H 1.270 0.001 2 436 794 43 LYS HG3 H 1.326 0.001 2 437 794 43 LYS HD2 H 1.645 0.002 2 438 794 43 LYS HD3 H 1.645 0.002 2 439 794 43 LYS HE2 H 2.873 0.01 2 440 794 43 LYS HE3 H 2.877 0.014 2 441 794 43 LYS C C 177.771 0.1 1 442 794 43 LYS CA C 60.228 0.064 1 443 794 43 LYS CB C 32.210 0.029 1 444 794 43 LYS CG C 25.080 0.033 1 445 794 43 LYS CD C 29.537 0.061 1 446 794 43 LYS CE C 41.938 0.085 1 447 794 43 LYS N N 117.875 0.019 1 448 795 44 TYR H H 7.795 0.003 1 449 795 44 TYR HA H 4.214 0.011 1 450 795 44 TYR HB2 H 2.995 0.01 2 451 795 44 TYR HB3 H 3.113 0.01 2 452 795 44 TYR HD1 H 6.646 0.015 1 453 795 44 TYR HD2 H 6.646 0.015 1 454 795 44 TYR HE1 H 6.452 0.013 1 455 795 44 TYR HE2 H 6.452 0.013 1 456 795 44 TYR C C 176.694 0.1 1 457 795 44 TYR CA C 61.248 0.063 1 458 795 44 TYR CB C 38.117 0.1 1 459 795 44 TYR CD1 C 133.135 0.1 1 460 795 44 TYR CD2 C 133.135 0.1 1 461 795 44 TYR CE1 C 118.198 0.02 1 462 795 44 TYR CE2 C 118.198 0.02 1 463 795 44 TYR N N 119.659 0.028 1 464 796 45 TRP H H 8.070 0.008 1 465 796 45 TRP HA H 4.314 0.003 1 466 796 45 TRP HB2 H 3.369 0.01 1 467 796 45 TRP HB3 H 3.369 0.01 1 468 796 45 TRP HD1 H 7.308 0.004 1 469 796 45 TRP HE1 H 10.458 0.01 1 470 796 45 TRP HE3 H 7.532 0.009 1 471 796 45 TRP HZ2 H 7.453 0.002 1 472 796 45 TRP HZ3 H 7.007 0.0 1 473 796 45 TRP HH2 H 7.127 0.003 1 474 796 45 TRP C C 177.355 0.1 1 475 796 45 TRP CA C 60.159 0.061 1 476 796 45 TRP CB C 29.363 0.1 1 477 796 45 TRP CD1 C 126.148 0.039 1 478 796 45 TRP CE3 C 120.488 0.013 1 479 796 45 TRP CZ2 C 114.451 0.1 1 480 796 45 TRP CH2 C 123.931 0.1 1 481 796 45 TRP N N 119.811 0.019 1 482 796 45 TRP NE1 N 129.442 0.1 1 483 797 46 TRP H H 8.674 0.004 1 484 797 46 TRP HA H 4.460 0.01 1 485 797 46 TRP HB2 H 3.358 0.01 2 486 797 46 TRP HB3 H 3.368 0.01 2 487 797 46 TRP HD1 H 7.138 0.003 1 488 797 46 TRP HE1 H 10.285 0.01 1 489 797 46 TRP HE3 H 7.496 0.02 1 490 797 46 TRP HZ2 H 7.448 0.013 1 491 797 46 TRP HZ3 H 6.886 0.0 1 492 797 46 TRP HH2 H 7.003 0.0 1 493 797 46 TRP C C 177.240 0.1 1 494 797 46 TRP CA C 60.048 0.062 1 495 797 46 TRP CB C 30.208 0.004 1 496 797 46 TRP CD1 C 127.320 0.027 1 497 797 46 TRP CZ2 C 114.436 0.1 1 498 797 46 TRP CH2 C 123.796 0.1 1 499 797 46 TRP N N 120.065 0.048 1 500 797 46 TRP NE1 N 129.281 0.1 1 501 798 47 ASN H H 8.172 0.003 1 502 798 47 ASN HA H 4.272 0.003 1 503 798 47 ASN HB2 H 2.684 0.005 2 504 798 47 ASN HB3 H 2.877 0.005 2 505 798 47 ASN HD21 H 7.386 0.01 1 506 798 47 ASN HD22 H 6.880 0.01 1 507 798 47 ASN C C 177.529 0.1 1 508 798 47 ASN CA C 56.397 0.067 1 509 798 47 ASN CB C 38.393 0.037 1 510 798 47 ASN N N 116.356 0.027 1 511 798 47 ASN ND2 N 111.191 0.002 1 512 799 48 LEU H H 7.747 0.003 1 513 799 48 LEU HA H 4.006 0.01 1 514 799 48 LEU HB2 H 1.612 0.008 2 515 799 48 LEU HB3 H 1.402 0.004 2 516 799 48 LEU HG H 1.375 0.007 1 517 799 48 LEU HD1 H 0.667 0.005 2 518 799 48 LEU HD2 H 0.715 0.003 2 519 799 48 LEU C C 177.911 0.1 1 520 799 48 LEU CA C 57.991 0.057 1 521 799 48 LEU CB C 41.943 0.041 1 522 799 48 LEU CG C 26.721 0.028 1 523 799 48 LEU CD1 C 25.199 0.032 2 524 799 48 LEU CD2 C 24.244 0.029 2 525 799 48 LEU N N 121.402 0.044 1 526 800 49 LEU H H 8.101 0.003 1 527 800 49 LEU HA H 3.992 0.002 1 528 800 49 LEU HB2 H 1.711 0.003 2 529 800 49 LEU HB3 H 1.711 0.01 2 530 800 49 LEU C C 178.790 0.1 1 531 800 49 LEU CA C 58.044 0.063 1 532 800 49 LEU CB C 41.544 0.017 1 533 800 49 LEU CG C 27.291 0.1 1 534 800 49 LEU CD1 C 24.989 0.1 2 535 800 49 LEU CD2 C 23.992 0.1 2 536 800 49 LEU N N 119.046 0.021 1 537 801 50 GLN H H 7.960 0.003 1 538 801 50 GLN HA H 3.684 0.002 1 539 801 50 GLN HB2 H 1.822 0.002 2 540 801 50 GLN HB3 H 1.824 0.01 2 541 801 50 GLN HG2 H 1.768 0.003 2 542 801 50 GLN HG3 H 1.824 0.003 2 543 801 50 GLN HE21 H 6.407 0.01 1 544 801 50 GLN HE22 H 6.314 0.01 1 545 801 50 GLN C C 177.698 0.1 1 546 801 50 GLN CA C 59.245 0.046 1 547 801 50 GLN CB C 28.818 0.02 1 548 801 50 GLN CG C 33.923 0.039 1 549 801 50 GLN N N 117.537 0.051 1 550 801 50 GLN NE2 N 110.244 0.0 1 551 802 51 TYR H H 7.765 0.002 1 552 802 51 TYR HA H 4.179 0.008 1 553 802 51 TYR HB2 H 2.988 0.01 2 554 802 51 TYR HB3 H 2.990 0.01 2 555 802 51 TYR HD1 H 6.711 0.015 1 556 802 51 TYR HD2 H 6.711 0.015 1 557 802 51 TYR HE1 H 6.488 0.018 1 558 802 51 TYR HE2 H 6.488 0.018 1 559 802 51 TYR C C 177.106 0.1 1 560 802 51 TYR CA C 60.919 0.042 1 561 802 51 TYR CB C 37.960 0.022 1 562 802 51 TYR CD1 C 133.021 0.1 1 563 802 51 TYR CD2 C 133.021 0.1 1 564 802 51 TYR CE1 C 118.224 0.018 1 565 802 51 TYR CE2 C 118.224 0.018 1 566 802 51 TYR N N 120.068 0.004 1 567 803 52 TRP H H 8.375 0.002 1 568 803 52 TRP HA H 4.384 0.011 1 569 803 52 TRP HB2 H 3.339 0.004 2 570 803 52 TRP HB3 H 3.199 0.002 2 571 803 52 TRP HD1 H 7.275 0.004 1 572 803 52 TRP HE1 H 10.362 0.01 1 573 803 52 TRP HE3 H 7.473 0.009 1 574 803 52 TRP HZ2 H 7.483 0.004 1 575 803 52 TRP HZ3 H 6.989 0.006 1 576 803 52 TRP HH2 H 7.150 0.003 1 577 803 52 TRP C C 177.310 0.1 1 578 803 52 TRP CA C 59.547 0.107 1 579 803 52 TRP CB C 29.360 0.018 1 580 803 52 TRP CD1 C 126.101 0.034 1 581 803 52 TRP CE3 C 120.323 0.1 1 582 803 52 TRP CZ2 C 114.885 0.053 1 583 803 52 TRP CH2 C 124.101 0.1 1 584 803 52 TRP N N 119.341 0.051 1 585 803 52 TRP NE1 N 128.405 0.1 1 586 804 53 SER H H 8.162 0.007 1 587 804 53 SER HA H 4.011 0.002 1 588 804 53 SER HB2 H 3.940 0.004 2 589 804 53 SER HB3 H 3.891 0.002 2 590 804 53 SER C C 175.157 0.1 1 591 804 53 SER CA C 62.088 0.053 1 592 804 53 SER CB C 63.129 0.022 1 593 804 53 SER N N 114.566 0.052 1 594 805 54 GLN H H 7.794 0.008 1 595 805 54 GLN HA H 4.020 0.0 1 596 805 54 GLN HB2 H 2.126 0.003 2 597 805 54 GLN HB3 H 2.129 0.01 2 598 805 54 GLN HG2 H 2.390 0.004 2 599 805 54 GLN HG3 H 2.393 0.001 2 600 805 54 GLN HE21 H 7.404 0.01 1 601 805 54 GLN HE22 H 6.839 0.01 1 602 805 54 GLN C C 177.573 0.1 1 603 805 54 GLN CA C 58.807 0.035 1 604 805 54 GLN CB C 28.498 0.07 1 605 805 54 GLN CG C 34.043 0.046 1 606 805 54 GLN N N 120.839 0.027 1 607 805 54 GLN NE2 N 112.113 0.0 1 608 806 55 GLU H H 7.970 0.004 1 609 806 55 GLU HA H 4.159 0.002 1 610 806 55 GLU HB2 H 2.010 0.009 2 611 806 55 GLU HB3 H 2.011 0.01 2 612 806 55 GLU HG2 H 2.055 0.015 2 613 806 55 GLU HG3 H 2.050 0.013 2 614 806 55 GLU C C 178.886 0.1 1 615 806 55 GLU CA C 58.762 0.048 1 616 806 55 GLU CB C 29.385 0.02 1 617 806 55 GLU CG C 35.832 0.018 1 618 806 55 GLU N N 118.822 0.024 1 619 807 56 LEU H H 8.192 0.003 1 620 807 56 LEU HB2 H 1.769 0.01 1 621 807 56 LEU C C 177.569 0.1 1 622 807 56 LEU CA C 57.765 0.033 1 623 807 56 LEU CB C 41.930 0.047 1 624 807 56 LEU N N 120.312 0.035 1 625 808 57 LYS H H 7.952 0.004 1 626 808 57 LYS HA H 3.818 0.007 1 627 808 57 LYS HB2 H 1.902 0.006 2 628 808 57 LYS HB3 H 1.902 0.005 2 629 808 57 LYS HG2 H 1.522 0.003 2 630 808 57 LYS HG3 H 1.369 0.002 2 631 808 57 LYS HD2 H 1.710 0.002 1 632 808 57 LYS HD3 H 1.710 0.002 1 633 808 57 LYS HE2 H 2.894 0.008 2 634 808 57 LYS HE3 H 2.899 0.007 2 635 808 57 LYS C C 177.216 0.1 1 636 808 57 LYS CA C 60.408 0.076 1 637 808 57 LYS CB C 32.080 0.051 1 638 808 57 LYS CG C 25.238 0.053 1 639 808 57 LYS CD C 29.632 0.036 1 640 808 57 LYS CE C 41.983 0.066 1 641 808 57 LYS N N 118.787 0.051 1 642 809 58 ASN H H 8.144 0.002 1 643 809 58 ASN HA H 4.471 0.006 1 644 809 58 ASN HB2 H 2.692 0.01 2 645 809 58 ASN HB3 H 2.675 0.01 2 646 809 58 ASN HD21 H 7.568 0.01 1 647 809 58 ASN HD22 H 6.809 0.01 1 648 809 58 ASN C C 177.256 0.1 1 649 809 58 ASN CA C 55.752 0.059 1 650 809 58 ASN CB C 38.280 0.017 1 651 809 58 ASN N N 116.194 0.021 1 652 809 58 ASN ND2 N 111.931 0.0 1 653 810 59 SER H H 8.133 0.001 1 654 810 59 SER HA H 4.381 0.005 1 655 810 59 SER HB2 H 3.861 0.01 2 656 810 59 SER HB3 H 4.023 0.001 2 657 810 59 SER C C 175.262 0.1 1 658 810 59 SER CA C 61.917 0.075 1 659 810 59 SER CB C 63.521 0.019 1 660 810 59 SER N N 115.961 0.039 1 661 811 60 ALA H H 8.344 0.004 1 662 811 60 ALA HA H 4.050 0.002 1 663 811 60 ALA HB H 1.498 0.003 1 664 811 60 ALA C C 178.185 0.1 1 665 811 60 ALA CA C 55.305 0.056 1 666 811 60 ALA CB C 18.554 0.043 1 667 811 60 ALA N N 124.223 0.057 1 668 812 61 VAL H H 8.139 0.004 1 669 812 61 VAL HA H 3.638 0.007 1 670 812 61 VAL HB H 2.198 0.0 1 671 812 61 VAL HG1 H 1.099 0.004 2 672 812 61 VAL HG2 H 0.985 0.003 2 673 812 61 VAL C C 177.199 0.1 1 674 812 61 VAL CA C 66.479 0.058 1 675 812 61 VAL CB C 31.753 0.052 1 676 812 61 VAL CG1 C 22.977 0.025 2 677 812 61 VAL CG2 C 21.460 0.037 2 678 812 61 VAL N N 116.639 0.038 1 679 813 62 ASN H H 7.933 0.002 1 680 813 62 ASN HA H 4.563 0.003 1 681 813 62 ASN HB2 H 2.950 0.001 2 682 813 62 ASN HB3 H 2.864 0.007 2 683 813 62 ASN HD21 H 7.628 0.01 1 684 813 62 ASN HD22 H 6.817 0.01 1 685 813 62 ASN C C 177.427 0.1 1 686 813 62 ASN CA C 55.933 0.039 1 687 813 62 ASN CB C 38.273 0.026 1 688 813 62 ASN N N 118.449 0.037 1 689 813 62 ASN ND2 N 112.212 0.002 1 690 814 63 LEU H H 8.082 0.003 1 691 814 63 LEU HA H 4.179 0.01 1 692 814 63 LEU HB2 H 1.811 0.01 2 693 814 63 LEU HB3 H 1.740 0.002 2 694 814 63 LEU C C 178.608 0.1 1 695 814 63 LEU CA C 57.870 0.069 1 696 814 63 LEU CB C 42.113 0.013 1 697 814 63 LEU CG C 27.201 0.1 1 698 814 63 LEU CD1 C 24.648 0.1 2 699 814 63 LEU CD2 C 24.681 0.1 2 700 814 63 LEU N N 121.180 0.023 1 701 815 64 LEU H H 8.278 0.002 1 702 815 64 LEU HA H 4.045 0.004 1 703 815 64 LEU HB2 H 1.857 0.01 2 704 815 64 LEU HB3 H 1.703 0.01 2 705 815 64 LEU HG H 1.827 0.01 1 706 815 64 LEU HD1 H 0.890 0.01 2 707 815 64 LEU HD2 H 0.891 0.01 2 708 815 64 LEU C C 177.735 0.1 1 709 815 64 LEU CA C 57.884 0.031 1 710 815 64 LEU CB C 41.715 0.012 1 711 815 64 LEU CG C 27.243 0.1 1 712 815 64 LEU CD1 C 24.092 0.1 1 713 815 64 LEU N N 120.915 0.015 1 714 816 65 ASN H H 8.233 0.007 1 715 816 65 ASN HA H 4.509 0.0 1 716 816 65 ASN HB2 H 2.866 0.006 2 717 816 65 ASN HB3 H 2.872 0.01 2 718 816 65 ASN HD21 H 7.500 0.01 1 719 816 65 ASN HD22 H 6.720 0.01 1 720 816 65 ASN C C 176.338 0.1 1 721 816 65 ASN CA C 55.766 0.05 1 722 816 65 ASN CB C 38.796 0.028 1 723 816 65 ASN N N 117.508 0.036 1 724 816 65 ASN ND2 N 111.081 0.002 1 725 817 66 ALA H H 8.037 0.002 1 726 817 66 ALA HA H 4.202 0.008 1 727 817 66 ALA HB H 1.543 0.001 1 728 817 66 ALA C C 179.173 0.1 1 729 817 66 ALA CA C 54.515 0.045 1 730 817 66 ALA CB C 18.704 0.053 1 731 817 66 ALA N N 121.009 0.021 1 732 818 67 THR H H 8.026 0.003 1 733 818 67 THR HA H 3.961 0.003 1 734 818 67 THR HB H 4.266 0.003 1 735 818 67 THR HG2 H 1.203 0.004 1 736 818 67 THR C C 174.602 0.1 1 737 818 67 THR CA C 66.005 0.071 1 738 818 67 THR CB C 68.888 0.032 1 739 818 67 THR CG2 C 21.830 0.02 1 740 818 67 THR N N 113.753 0.029 1 741 819 68 ALA H H 8.169 0.004 1 742 819 68 ALA HA H 4.060 0.004 1 743 819 68 ALA HB H 1.503 0.001 1 744 819 68 ALA C C 178.685 0.1 1 745 819 68 ALA CA C 54.923 0.049 1 746 819 68 ALA CB C 18.511 0.027 1 747 819 68 ALA N N 123.376 0.034 1 748 820 69 ILE H H 7.694 0.002 1 749 820 69 ILE HA H 3.870 0.007 1 750 820 69 ILE HB H 1.903 0.002 1 751 820 69 ILE HG12 H 1.647 0.003 2 752 820 69 ILE HG13 H 1.225 0.006 2 753 820 69 ILE HG2 H 0.923 0.004 1 754 820 69 ILE HD1 H 0.864 0.003 1 755 820 69 ILE C C 176.496 0.1 1 756 820 69 ILE CA C 63.548 0.056 1 757 820 69 ILE CB C 38.265 0.038 1 758 820 69 ILE CG1 C 28.752 0.047 1 759 820 69 ILE CG2 C 17.584 0.038 1 760 820 69 ILE CD1 C 13.194 0.06 1 761 820 69 ILE N N 116.884 0.017 1 762 821 70 ALA H H 7.761 0.002 1 763 821 70 ALA HA H 4.214 0.006 1 764 821 70 ALA HB H 1.480 0.001 1 765 821 70 ALA C C 178.747 0.1 1 766 821 70 ALA CA C 54.352 0.051 1 767 821 70 ALA CB C 18.737 0.013 1 768 821 70 ALA N N 122.849 0.026 1 769 822 71 VAL H H 8.024 0.002 1 770 822 71 VAL HA H 3.851 0.003 1 771 822 71 VAL HB H 2.197 0.0 1 772 822 71 VAL HG1 H 0.945 0.01 2 773 822 71 VAL HG2 H 1.017 0.007 2 774 822 71 VAL C C 176.404 0.1 1 775 822 71 VAL CA C 64.443 0.047 1 776 822 71 VAL CB C 31.885 0.043 1 777 822 71 VAL CG1 C 21.690 0.005 2 778 822 71 VAL CG2 C 21.982 0.043 2 779 822 71 VAL N N 115.060 0.023 1 780 823 72 ALA H H 7.803 0.003 1 781 823 72 ALA HA H 4.185 0.01 1 782 823 72 ALA HB H 1.510 0.004 1 783 823 72 ALA C C 178.180 0.1 1 784 823 72 ALA CA C 54.084 0.062 1 785 823 72 ALA CB C 18.885 0.042 1 786 823 72 ALA N N 122.489 0.025 1 787 824 73 GLU H H 8.064 0.003 1 788 824 73 GLU HA H 4.296 0.001 1 789 824 73 GLU HB2 H 2.149 0.001 2 790 824 73 GLU HB3 H 2.061 0.0 2 791 824 73 GLU HG2 H 2.421 0.009 2 792 824 73 GLU HG3 H 2.298 0.001 2 793 824 73 GLU C C 177.069 0.1 1 794 824 73 GLU CA C 57.500 0.041 1 795 824 73 GLU CB C 30.204 0.016 1 796 824 73 GLU CG C 36.379 0.015 1 797 824 73 GLU N N 116.742 0.029 1 798 825 74 GLY H H 8.094 0.002 1 799 825 74 GLY HA2 H 4.150 0.01 2 800 825 74 GLY HA3 H 4.044 0.01 2 801 825 74 GLY C C 174.165 0.1 1 802 825 74 GLY CA C 45.975 0.033 1 803 825 74 GLY N N 107.773 0.032 1 804 826 75 THR H H 8.122 0.003 1 805 826 75 THR HA H 3.964 0.004 1 806 826 75 THR HB H 4.239 0.007 1 807 826 75 THR HG2 H 1.252 0.007 1 808 826 75 THR C C 175.047 0.1 1 809 826 75 THR CA C 65.177 0.033 1 810 826 75 THR CB C 69.047 0.043 1 811 826 75 THR CG2 C 22.438 0.025 1 812 826 75 THR N N 113.841 0.027 1 813 827 76 ASP H H 8.446 0.002 1 814 827 76 ASP HA H 4.366 0.008 1 815 827 76 ASP HB2 H 2.697 0.01 2 816 827 76 ASP HB3 H 2.690 0.01 2 817 827 76 ASP C C 177.760 0.1 1 818 827 76 ASP CA C 57.164 0.038 1 819 827 76 ASP CB C 40.140 0.037 1 820 827 76 ASP N N 120.726 0.06 1 821 828 77 ARG H H 7.916 0.003 1 822 828 77 ARG HA H 4.212 0.003 1 823 828 77 ARG HB2 H 1.952 0.01 2 824 828 77 ARG HB3 H 1.952 0.01 2 825 828 77 ARG HG2 H 1.766 0.01 1 826 828 77 ARG HG3 H 1.766 0.01 1 827 828 77 ARG HD2 H 3.191 0.01 1 828 828 77 ARG HD3 H 3.191 0.01 1 829 828 77 ARG C C 177.596 0.1 1 830 828 77 ARG CA C 57.870 0.047 1 831 828 77 ARG CB C 29.936 0.019 1 832 828 77 ARG CG C 27.336 0.1 1 833 828 77 ARG CD C 43.271 0.1 1 834 828 77 ARG N N 119.309 0.044 1 835 829 78 VAL H H 7.720 0.003 1 836 829 78 VAL HA H 3.594 0.001 1 837 829 78 VAL HB H 2.273 0.002 1 838 829 78 VAL HG1 H 0.933 0.01 2 839 829 78 VAL HG2 H 1.046 0.0 2 840 829 78 VAL C C 176.920 0.1 1 841 829 78 VAL CA C 66.656 0.04 1 842 829 78 VAL CB C 31.549 0.044 1 843 829 78 VAL CG1 C 21.549 0.001 2 844 829 78 VAL CG2 C 23.174 0.076 2 845 829 78 VAL N N 118.286 0.026 1 846 830 79 ILE H H 8.044 0.002 1 847 830 79 ILE HA H 3.652 0.007 1 848 830 79 ILE HB H 2.038 0.007 1 849 830 79 ILE HG12 H 1.226 0.011 2 850 830 79 ILE HG13 H 1.703 0.001 2 851 830 79 ILE HG2 H 0.934 0.005 1 852 830 79 ILE HD1 H 0.871 0.006 1 853 830 79 ILE C C 177.076 0.1 1 854 830 79 ILE CA C 65.063 0.066 1 855 830 79 ILE CB C 37.211 0.051 1 856 830 79 ILE CG1 C 29.331 0.031 1 857 830 79 ILE CG2 C 17.652 0.058 1 858 830 79 ILE CD1 C 12.627 0.015 1 859 830 79 ILE N N 118.942 0.04 1 860 831 80 GLU H H 7.830 0.001 1 861 831 80 GLU HA H 4.128 0.004 1 862 831 80 GLU HB2 H 2.232 0.01 1 863 831 80 GLU HB3 H 2.232 0.01 1 864 831 80 GLU HG2 H 2.429 0.01 1 865 831 80 GLU HG3 H 2.429 0.01 1 866 831 80 GLU C C 179.549 0.1 1 867 831 80 GLU CA C 59.896 0.051 1 868 831 80 GLU CB C 29.792 0.038 1 869 831 80 GLU CG C 36.471 0.005 1 870 831 80 GLU N N 119.319 0.019 1 871 832 81 VAL H H 7.929 0.003 1 872 832 81 VAL HA H 3.784 0.006 1 873 832 81 VAL HB H 2.278 0.005 1 874 832 81 VAL HG1 H 0.970 0.002 2 875 832 81 VAL HG2 H 1.116 0.002 2 876 832 81 VAL C C 177.205 0.1 1 877 832 81 VAL CA C 66.585 0.073 1 878 832 81 VAL CB C 31.458 0.031 1 879 832 81 VAL CG1 C 21.726 0.035 2 880 832 81 VAL CG2 C 22.939 0.033 2 881 832 81 VAL N N 119.797 0.034 1 882 833 82 LEU H H 8.239 0.002 1 883 833 82 LEU HA H 4.049 0.002 1 884 833 82 LEU HB2 H 2.002 0.002 2 885 833 82 LEU HB3 H 1.466 0.008 2 886 833 82 LEU HG H 1.964 0.002 1 887 833 82 LEU HD1 H 0.852 0.0 2 888 833 82 LEU HD2 H 0.826 0.003 2 889 833 82 LEU C C 178.588 0.1 1 890 833 82 LEU CA C 58.260 0.039 1 891 833 82 LEU CB C 41.511 0.031 1 892 833 82 LEU CG C 26.786 0.063 1 893 833 82 LEU CD1 C 25.960 0.024 2 894 833 82 LEU CD2 C 22.865 0.049 2 895 833 82 LEU N N 119.968 0.02 1 896 834 83 GLN H H 8.659 0.001 1 897 834 83 GLN HA H 4.052 0.003 1 898 834 83 GLN HB2 H 2.288 0.002 2 899 834 83 GLN HB3 H 2.137 0.001 2 900 834 83 GLN HG2 H 2.332 0.006 2 901 834 83 GLN HG3 H 2.618 0.004 2 902 834 83 GLN HE21 H 7.143 0.01 1 903 834 83 GLN HE22 H 6.736 0.01 1 904 834 83 GLN C C 178.099 0.1 1 905 834 83 GLN CA C 59.829 0.056 1 906 834 83 GLN CB C 28.746 0.027 1 907 834 83 GLN CG C 34.788 0.047 1 908 834 83 GLN N N 117.452 0.022 1 909 834 83 GLN NE2 N 110.012 0.0 1 910 835 84 ALA H H 7.888 0.002 1 911 835 84 ALA HA H 4.153 0.004 1 912 835 84 ALA HB H 1.605 0.009 1 913 835 84 ALA C C 179.899 0.1 1 914 835 84 ALA CA C 55.198 0.042 1 915 835 84 ALA CB C 18.233 0.056 1 916 835 84 ALA N N 122.132 0.021 1 917 836 85 ALA H H 8.466 0.001 1 918 836 85 ALA HA H 4.062 0.01 1 919 836 85 ALA HB H 1.528 0.009 1 920 836 85 ALA C C 178.015 0.1 1 921 836 85 ALA CA C 55.244 0.064 1 922 836 85 ALA CB C 18.122 0.028 1 923 836 85 ALA N N 121.219 0.02 1 924 837 86 TYR H H 8.417 0.003 1 925 837 86 TYR HA H 4.150 0.001 1 926 837 86 TYR HB2 H 3.186 0.005 2 927 837 86 TYR HB3 H 3.186 0.005 2 928 837 86 TYR HD1 H 7.023 0.005 1 929 837 86 TYR HD2 H 7.023 0.005 1 930 837 86 TYR HE1 H 6.784 0.006 1 931 837 86 TYR HE2 H 6.784 0.006 1 932 837 86 TYR C C 176.618 0.1 1 933 837 86 TYR CA C 60.938 0.05 1 934 837 86 TYR CB C 38.478 0.03 1 935 837 86 TYR CD1 C 132.761 0.036 1 936 837 86 TYR CD2 C 132.761 0.036 1 937 837 86 TYR CE1 C 118.119 0.023 1 938 837 86 TYR CE2 C 118.119 0.023 1 939 837 86 TYR N N 117.502 0.025 1 940 838 87 ARG H H 8.038 0.002 1 941 838 87 ARG HA H 3.697 0.007 1 942 838 87 ARG HB2 H 1.955 0.01 2 943 838 87 ARG HB3 H 1.954 0.01 2 944 838 87 ARG HG2 H 1.959 0.004 2 945 838 87 ARG HG3 H 1.631 0.003 2 946 838 87 ARG HD2 H 3.216 0.001 2 947 838 87 ARG HD3 H 3.293 0.005 2 948 838 87 ARG C C 177.765 0.1 1 949 838 87 ARG CA C 59.637 0.047 1 950 838 87 ARG CB C 30.243 0.032 1 951 838 87 ARG CG C 28.339 0.053 1 952 838 87 ARG CD C 43.728 0.046 1 953 838 87 ARG N N 116.910 0.021 1 954 839 88 ALA H H 7.741 0.004 1 955 839 88 ALA HA H 4.210 0.003 1 956 839 88 ALA HB H 1.555 0.011 1 957 839 88 ALA C C 179.109 0.1 1 958 839 88 ALA CA C 54.663 0.035 1 959 839 88 ALA CB C 18.856 0.014 1 960 839 88 ALA N N 119.665 0.031 1 961 840 89 ILE H H 7.898 0.003 1 962 840 89 ILE HA H 3.930 0.001 1 963 840 89 ILE HB H 2.025 0.003 1 964 840 89 ILE HG12 H 1.265 0.01 1 965 840 89 ILE HG2 H 0.930 0.004 1 966 840 89 ILE HD1 H 0.847 0.007 1 967 840 89 ILE C C 176.934 0.1 1 968 840 89 ILE CA C 63.523 0.059 1 969 840 89 ILE CB C 38.150 0.05 1 970 840 89 ILE CG1 C 28.597 0.013 1 971 840 89 ILE CG2 C 18.027 0.037 1 972 840 89 ILE CD1 C 13.787 0.05 1 973 840 89 ILE N N 114.723 0.018 1 974 841 90 ARG H H 7.660 0.002 1 975 841 90 ARG HA H 3.895 0.004 1 976 841 90 ARG HB2 H 2.015 0.01 1 977 841 90 ARG HG2 H 1.385 0.0 2 978 841 90 ARG HG3 H 1.295 0.001 2 979 841 90 ARG HD2 H 2.930 0.004 2 980 841 90 ARG HD3 H 2.881 0.002 2 981 841 90 ARG C C 176.356 0.1 1 982 841 90 ARG CA C 58.313 0.066 1 983 841 90 ARG CB C 29.575 0.028 1 984 841 90 ARG CG C 26.944 0.034 1 985 841 90 ARG CD C 43.360 0.068 1 986 841 90 ARG N N 117.695 0.042 1 987 842 91 HIS H H 7.767 0.008 1 988 842 91 HIS HA H 4.674 0.008 1 989 842 91 HIS HB2 H 3.147 0.005 2 990 842 91 HIS HB3 H 3.309 0.004 2 991 842 91 HIS HD2 H 7.121 0.005 1 992 842 91 HIS HE1 H 8.063 0.006 1 993 842 91 HIS CA C 56.422 0.065 1 994 842 91 HIS CB C 30.535 0.044 1 995 842 91 HIS CD2 C 119.937 0.1 1 996 842 91 HIS CE1 C 138.015 0.1 1 997 842 91 HIS N N 115.702 0.041 1 998 843 92 ILE HA H 4.035 0.005 1 999 843 92 ILE HB H 1.869 0.004 1 1000 843 92 ILE HG2 H 0.909 0.003 1 1001 843 92 ILE HD1 H 0.859 0.01 1 1002 843 92 ILE CA C 63.120 0.079 1 1003 843 92 ILE CB C 39.369 0.064 1 1004 843 92 ILE CG1 C 27.578 0.005 1 1005 843 92 ILE CG2 C 18.093 0.044 1 1006 843 92 ILE CD1 C 13.964 0.004 1 1007 844 93 PRO HB2 H 2.005 0.01 1 1008 844 93 PRO HG2 H 1.949 0.001 1 1009 844 93 PRO HD2 H 3.761 0.009 2 1010 844 93 PRO HD3 H 3.644 0.013 2 1011 844 93 PRO CD C 50.589 0.049 1 1012 845 94 ARG HB2 H 1.966 0.01 1 1013 847 96 ILE HA H 3.765 0.01 1 1014 847 96 ILE HB H 1.997 0.002 1 1015 847 96 ILE HG2 H 0.870 0.003 1 1016 847 96 ILE HD1 H 0.820 0.002 1 1017 847 96 ILE C C 177.839 0.1 1 1018 847 96 ILE CA C 64.587 0.044 1 1019 847 96 ILE CB C 37.298 0.074 1 1020 847 96 ILE CG1 C 28.997 0.008 1 1021 847 96 ILE CG2 C 17.414 0.025 1 1022 847 96 ILE CD1 C 12.956 0.045 1 1023 848 97 ARG H H 8.060 0.009 1 1024 848 97 ARG HA H 3.832 0.004 1 1025 848 97 ARG HB2 H 2.000 0.006 2 1026 848 97 ARG HB3 H 1.885 0.003 2 1027 848 97 ARG HG2 H 1.662 0.01 1 1028 848 97 ARG C C 177.428 0.1 1 1029 848 97 ARG CA C 60.462 0.063 1 1030 848 97 ARG CB C 29.961 0.072 1 1031 848 97 ARG CG C 28.040 0.008 1 1032 848 97 ARG CD C 43.557 0.016 1 1033 848 97 ARG N N 119.801 0.04 1 1034 849 98 GLN H H 8.309 0.005 1 1035 849 98 GLN HA H 4.118 0.004 1 1036 849 98 GLN HB2 H 2.188 0.01 2 1037 849 98 GLN HB3 H 2.065 0.009 2 1038 849 98 GLN HG2 H 2.558 0.007 2 1039 849 98 GLN HG3 H 2.394 0.007 2 1040 849 98 GLN HE21 H 7.435 0.01 1 1041 849 98 GLN HE22 H 6.709 0.01 1 1042 849 98 GLN C C 178.141 0.1 1 1043 849 98 GLN CA C 58.857 0.059 1 1044 849 98 GLN CB C 28.720 0.027 1 1045 849 98 GLN CG C 34.593 0.044 1 1046 849 98 GLN N N 116.509 0.023 1 1047 849 98 GLN NE2 N 110.763 0.001 1 1048 850 99 GLY H H 7.983 0.011 1 1049 850 99 GLY HA2 H 3.669 0.01 2 1050 850 99 GLY HA3 H 3.911 0.0 2 1051 850 99 GLY C C 174.460 0.1 1 1052 850 99 GLY CA C 47.287 0.081 1 1053 850 99 GLY N N 106.871 0.05 1 1054 851 100 LEU H H 8.155 0.005 1 1055 851 100 LEU HA H 4.123 0.003 1 1056 851 100 LEU HB2 H 1.932 0.01 1 1057 851 100 LEU HB3 H 1.932 0.01 1 1058 851 100 LEU HG H 1.871 0.01 1 1059 851 100 LEU HD1 H 0.861 0.002 2 1060 851 100 LEU HD2 H 0.862 0.0 2 1061 851 100 LEU C C 178.116 0.1 1 1062 851 100 LEU CA C 57.473 0.023 1 1063 851 100 LEU CB C 42.081 0.025 1 1064 851 100 LEU CG C 26.856 0.003 1 1065 851 100 LEU CD1 C 25.791 0.025 2 1066 851 100 LEU CD2 C 23.579 0.012 2 1067 851 100 LEU N N 120.240 0.027 1 1068 852 101 GLU H H 8.159 0.001 1 1069 852 101 GLU HA H 3.884 0.004 1 1070 852 101 GLU HB2 H 2.089 0.01 2 1071 852 101 GLU HB3 H 2.208 0.002 2 1072 852 101 GLU HG2 H 2.497 0.003 2 1073 852 101 GLU HG3 H 2.494 0.01 2 1074 852 101 GLU C C 177.442 0.1 1 1075 852 101 GLU CA C 59.676 0.082 1 1076 852 101 GLU CB C 29.720 0.061 1 1077 852 101 GLU CG C 36.816 0.011 1 1078 852 101 GLU N N 117.974 0.013 1 1079 853 102 ARG H H 7.534 0.003 1 1080 853 102 ARG HA H 4.206 0.003 1 1081 853 102 ARG HB2 H 2.012 0.002 2 1082 853 102 ARG HB3 H 2.010 0.0 2 1083 853 102 ARG HG2 H 1.821 0.01 1 1084 853 102 ARG HD2 H 3.241 0.01 1 1085 853 102 ARG C C 177.017 0.1 1 1086 853 102 ARG CA C 57.824 0.066 1 1087 853 102 ARG CB C 30.388 0.007 1 1088 853 102 ARG CG C 27.535 0.042 1 1089 853 102 ARG CD C 43.465 0.1 1 1090 853 102 ARG N N 115.304 0.012 1 1091 854 103 ILE H H 7.480 0.001 1 1092 854 103 ILE HA H 4.182 0.002 1 1093 854 103 ILE HB H 1.977 0.001 1 1094 854 103 ILE HG12 H 1.336 0.004 2 1095 854 103 ILE HG13 H 1.651 0.01 2 1096 854 103 ILE HG2 H 0.948 0.004 1 1097 854 103 ILE HD1 H 0.860 0.003 1 1098 854 103 ILE C C 175.210 0.1 1 1099 854 103 ILE CA C 62.602 0.054 1 1100 854 103 ILE CB C 39.177 0.038 1 1101 854 103 ILE CG1 C 28.009 0.023 1 1102 854 103 ILE CG2 C 17.997 0.062 1 1103 854 103 ILE CD1 C 13.881 0.009 1 1104 854 103 ILE N N 114.701 0.016 1 1105 855 104 LEU H H 7.680 0.004 1 1106 855 104 LEU HA H 4.383 0.004 1 1107 855 104 LEU HB2 H 1.701 0.005 2 1108 855 104 LEU HB3 H 1.598 0.0 2 1109 855 104 LEU HG H 1.593 0.01 1 1110 855 104 LEU HD1 H 0.883 0.002 1 1111 855 104 LEU C C 175.258 0.1 1 1112 855 104 LEU CA C 55.589 0.043 1 1113 855 104 LEU CB C 43.551 0.043 1 1114 855 104 LEU CG C 26.853 0.018 1 1115 855 104 LEU CD1 C 25.916 0.033 2 1116 855 104 LEU CD2 C 23.479 0.02 2 1117 855 104 LEU N N 118.681 0.051 1 1118 856 105 LEU H H 7.304 0.001 1 1119 856 105 LEU HA H 4.234 0.001 1 1120 856 105 LEU HB2 H 1.724 0.002 2 1121 856 105 LEU HB3 H 1.615 0.002 2 1122 856 105 LEU HG H 1.610 0.01 1 1123 856 105 LEU HD1 H 0.920 0.002 1 1124 856 105 LEU CA C 56.504 0.033 1 1125 856 105 LEU CB C 43.605 0.028 1 1126 856 105 LEU CG C 27.376 0.1 1 1127 856 105 LEU CD1 C 25.690 0.04 2 1128 856 105 LEU CD2 C 23.840 0.1 2 1129 856 105 LEU N N 124.125 0.045 1 stop_ save_