data_6837 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignments of L27 Heterodimer From C. Elegans Lin-7 and H. Sapiens Lin-2 Scaffold Proteins ; _BMRB_accession_number 6837 _BMRB_flat_file_name bmr6837.str _Entry_type original _Submission_date 2005-09-26 _Accession_date 2005-09-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; L27 domains from Lin-7 and Lin-2C were expressed as a linked construct to ensure a 1:1 ratio and to improve solubility, ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Petrosky Keiko Y. . 2 Loehr Frank . . 3 Doetsch Volker . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 680 "13C chemical shifts" 493 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-07 update BMRB 'complete entry citation' 2006-10-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_JBNMR _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Assignment of the L27 Heterodimer from LIN-2 and LIN-7 Scaffold Proteins' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16721631 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Petrosky Keiko Y. . 2 Loehr Frank . . 3 Doetsch Volker . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15 _Page_last 15 _Year 2006 _Details . loop_ _Keyword heterodimer L27 NMR 'protein design' 'scaffolding protein' specificity stop_ save_ ####################################### # Cited references within the entry # ####################################### save_JBC _Saveframe_category citation _Citation_full . _Citation_title ; A general model for preferential hetero-oligomerization of Lin-2/7 domains: Mechanism underlying directed assembly of supramolecular signaling complexes. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16147993 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Petrosky Keiko Y. . 2 Ou Horng D. . 3 Loehr Frank . . 4 Doetsch Volker . . 5 Lim Wendell A. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full . _Journal_volume 280 _Journal_issue 46 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 38528 _Page_last 38536 _Year 2005 _Details 'Anticipated publication in the December issue of JBC.' loop_ _Keyword heterodimer L27 NMR 'protein design' 'scaffolding protein' specificity stop_ save_ save_PDB _Saveframe_category citation _Citation_full . _Citation_title 'NMR Structure Of L27 Heterodimer From C. Elegans Lin-7 and H. Sapiens Lin-2 Scaffold Proteins' _Citation_status submitted _Citation_type internet _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Petrosky Keiko Y. . 2 Horng Ou D. . 3 Loehr Frank . . 4 Doetsch Volker . . 5 Lim Wendell A. . stop_ _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year 2005 _Details . loop_ _Keyword heterodimer L27 NMR 'scaffolding protein' specificity stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'L27 Heterodimer From Lin-7 and Lin-2 Scaffold Proteins' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'L27 Heterodimer From Lin-7 and Lin-2 Scaffold Proteins' $construct stop_ _System_molecular_weight 18302.2 _System_physical_state native _System_oligomer_state 'protein-protein complex' _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'assembly of synaptic signaling complexes' stop_ _Database_query_date . _Details 'L27 Heterodimer From C. Elegans Lin-7 and H. Sapiens Lin-2 Scaffold Proteins' save_ ######################## # Monomeric polymers # ######################## save_construct _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common construct _Molecular_mass 18302.2 _Mol_thiol_state 'not present' loop_ _Biological_function 'purification tag' 'TEV protease cleavage site' stop_ _Details 'N-terminal oligoHis tag followed by TEV cleavage site, L27 domain from LIN-7, Gly Ser linker repeat, and L27 domain from LIN-2C' ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; MGHHHHHHDYDIPTTENLYE QGSLNLERDVQRILELMEHV QKTGEVNNAKLASLQQVLQS EFFGAVREVYETVYESIDAD TTPEIKAAAGSGSGSGSNLP SDAVQRAKEVLEEISCYPEN NDAKELKRILTQPHFMALLQ THDVVAHEVYSDEALRVTPP PTSP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 ASP 10 TYR 11 ASP 12 ILE 13 PRO 14 THR 15 THR 16 GLU 17 ASN 18 LEU 19 TYR 20 GLU 21 GLN 22 GLY 23 SER 24 LEU 25 ASN 26 LEU 27 GLU 28 ARG 29 ASP 30 VAL 31 GLN 32 ARG 33 ILE 34 LEU 35 GLU 36 LEU 37 MET 38 GLU 39 HIS 40 VAL 41 GLN 42 LYS 43 THR 44 GLY 45 GLU 46 VAL 47 ASN 48 ASN 49 ALA 50 LYS 51 LEU 52 ALA 53 SER 54 LEU 55 GLN 56 GLN 57 VAL 58 LEU 59 GLN 60 SER 61 GLU 62 PHE 63 PHE 64 GLY 65 ALA 66 VAL 67 ARG 68 GLU 69 VAL 70 TYR 71 GLU 72 THR 73 VAL 74 TYR 75 GLU 76 SER 77 ILE 78 ASP 79 ALA 80 ASP 81 THR 82 THR 83 PRO 84 GLU 85 ILE 86 LYS 87 ALA 88 ALA 89 ALA 90 GLY 91 SER 92 GLY 93 SER 94 GLY 95 SER 96 GLY 97 SER 98 ASN 99 LEU 100 PRO 101 SER 102 ASP 103 ALA 104 VAL 105 GLN 106 ARG 107 ALA 108 LYS 109 GLU 110 VAL 111 LEU 112 GLU 113 GLU 114 ILE 115 SER 116 CYS 117 TYR 118 PRO 119 GLU 120 ASN 121 ASN 122 ASP 123 ALA 124 LYS 125 GLU 126 LEU 127 LYS 128 ARG 129 ILE 130 LEU 131 THR 132 GLN 133 PRO 134 HIS 135 PHE 136 MET 137 ALA 138 LEU 139 LEU 140 GLN 141 THR 142 HIS 143 ASP 144 VAL 145 VAL 146 ALA 147 HIS 148 GLU 149 VAL 150 TYR 151 SER 152 ASP 153 GLU 154 ALA 155 LEU 156 ARG 157 VAL 158 THR 159 PRO 160 PRO 161 PRO 162 THR 163 SER 164 PRO 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 _Organism_acronym _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Tissue $construct 'Caenorhabditis elegans' Worm 6239 Eukaryota Metazoa Caenorhabditis elegans vulva . $construct 'Homo sapiens' Human 9606 Eukaryota Metazoa Homo sapiens brain neuron 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 $construct 'recombinant technology' 'E. coli' . . . . 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 $construct 2 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $construct 2 mM [U-15N] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $construct 2 mM [U-13C] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $construct 2 mM '[U-13C; U-15N]' HEPES 20 mM . TCEP 0.5 mM . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details cryoprobe save_ save_500MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH _Sample_label $sample_1 save_ save_HCCCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONH _Sample_label $sample_1 save_ save_sample_1-NOESY-TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name sample_1-NOESY-TROSY _Sample_label $sample_1 save_ save_13C-NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY-HSQC _Sample_label $sample_2 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CO)CACB _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_CCCONH _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCCONH _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '20mM HEPES, pH 8.0, with 0.5 mM Tris(2-carboxyethyl) phophine hydrochloride (TCEP)' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 1 mM pH 8 .05 pH temperature 298 .1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $XWINNMR $XWINNMR stop_ loop_ _Experiment_label HNCO HN(CO)CACB HNCACB CCCONH HCCCONH sample_1-NOESY-TROSY 13C-NOESY-HSQC stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'L27 Heterodimer From Lin-7 and Lin-2 Scaffold Proteins' _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 9 9 ASP H H 8.323 0.01 . 2 9 9 ASP C C 175.792 0.1 . 3 9 9 ASP CA C 54.230 0.1 . 4 9 9 ASP CB C 40.566 0.1 . 5 9 9 ASP N N 118.905 0.1 . 6 10 10 TYR H H 7.935 0.01 . 7 10 10 TYR HA H 4.533 0.01 . 8 10 10 TYR HB2 H 3.081 0.01 . 9 10 10 TYR HB3 H 3.000 0.01 . 10 10 10 TYR HD1 H 7.082 0.01 . 11 10 10 TYR HE1 H 6.854 0.01 . 12 10 10 TYR C C 175.360 0.1 . 13 10 10 TYR CA C 57.042 0.1 . 14 10 10 TYR CD1 C 133.039 0.1 . 15 10 10 TYR CE1 C 118.013 0.1 . 16 10 10 TYR N N 118.814 0.1 . 17 11 11 ASP H H 8.245 0.01 . 18 11 11 ASP HA H 4.520 0.01 . 19 11 11 ASP HB2 H 2.567 0.01 . 20 11 11 ASP HB3 H 2.484 0.01 . 21 11 11 ASP C C 175.413 0.1 . 22 11 11 ASP CA C 53.872 0.1 . 23 11 11 ASP CB C 40.412 0.1 . 24 11 11 ASP N N 121.406 0.1 . 25 12 12 ILE H H 7.898 0.01 . 26 12 12 ILE HA H 4.397 0.01 . 27 12 12 ILE HB H 1.835 0.01 . 28 12 12 ILE HG12 H 1.472 0.01 . 29 12 12 ILE HG13 H 1.104 0.01 . 30 12 12 ILE HD1 H 0.804 0.01 . 31 12 12 ILE CA C 58.262 0.1 . 32 12 12 ILE CB C 37.827 0.1 . 33 12 12 ILE CG1 C 27.002 0.1 . 34 12 12 ILE CD1 C 13.433 0.1 . 35 12 12 ILE N N 122.097 0.1 . 36 13 13 PRO C C 175.529 0.1 . 37 13 13 PRO CA C 61.864 0.1 . 38 14 14 THR H H 8.116 0.01 . 39 14 14 THR HA H 4.370 0.01 . 40 14 14 THR HB H 4.224 0.01 . 41 14 14 THR HG2 H 1.179 0.01 . 42 14 14 THR C C 174.019 0.1 . 43 14 14 THR CA C 63.208 0.1 . 44 14 14 THR CB C 68.953 0.1 . 45 14 14 THR CG2 C 20.648 0.1 . 46 14 14 THR N N 116.926 0.1 . 47 15 15 THR H H 8.102 0.01 . 48 15 15 THR HA H 4.207 0.01 . 49 15 15 THR HB H 4.082 0.01 . 50 15 15 THR HG2 H 1.298 0.01 . 51 15 15 THR C C 174.699 0.1 . 52 15 15 THR CA C 60.236 0.1 . 53 15 15 THR CB C 68.755 0.1 . 54 15 15 THR CG2 C 20.088 0.1 . 55 15 15 THR N N 123.201 0.1 . 56 16 16 GLU H H 8.361 0.01 . 57 16 16 GLU HA H 4.243 0.01 . 58 16 16 GLU HB2 H 2.035 0.01 . 59 16 16 GLU HB3 H 1.912 0.01 . 60 16 16 GLU HG2 H 2.228 0.01 . 61 16 16 GLU C C 176.111 0.1 . 62 16 16 GLU CA C 56.250 0.1 . 63 16 16 GLU N N 122.454 0.1 . 64 17 17 ASN H H 8.336 0.01 . 65 17 17 ASN HA H 4.632 0.01 . 66 17 17 ASN HB2 H 2.793 0.01 . 67 17 17 ASN HB3 H 2.704 0.01 . 68 17 17 ASN HD21 H 7.598 0.01 . 69 17 17 ASN HD22 H 7.264 0.01 . 70 17 17 ASN C C 175.029 0.1 . 71 17 17 ASN CA C 52.485 0.1 . 72 17 17 ASN N N 118.814 0.1 . 73 17 17 ASN ND2 N 112.968 0.1 . 74 18 18 LEU H H 8.065 0.01 . 75 18 18 LEU HA H 4.181 0.01 . 76 18 18 LEU HB2 H 1.460 0.01 . 77 18 18 LEU HB3 H 1.334 0.01 . 78 18 18 LEU HG H 0.838 0.01 . 79 18 18 LEU HD1 H 0.844 0.01 . 80 18 18 LEU HD2 H 0.773 0.01 . 81 18 18 LEU C C 177.021 0.1 . 82 18 18 LEU CA C 54.874 0.1 . 83 18 18 LEU CG C 26.160 0.1 . 84 18 18 LEU CD1 C 24.054 0.1 . 85 18 18 LEU CD2 C 22.490 0.1 . 86 18 18 LEU N N 122.183 0.1 . 87 19 19 TYR H H 8.017 0.01 . 88 19 19 TYR HA H 4.493 0.01 . 89 19 19 TYR HB2 H 2.932 0.01 . 90 19 19 TYR HB3 H 2.844 0.01 . 91 19 19 TYR HD1 H 6.971 0.01 . 92 19 19 TYR HE1 H 6.712 0.01 . 93 19 19 TYR C C 175.496 0.1 . 94 19 19 TYR CA C 57.264 0.1 . 95 19 19 TYR CB C 37.849 0.1 . 96 19 19 TYR N N 119.325 0.1 . 97 20 20 GLU H H 7.953 0.01 . 98 20 20 GLU HA H 4.492 0.01 . 99 20 20 GLU HB2 H 2.939 0.01 . 100 20 20 GLU HB3 H 2.824 0.01 . 101 20 20 GLU CA C 58.205 0.1 . 102 20 20 GLU CB C 38.726 0.1 . 103 20 20 GLU N N 120.801 0.1 . 104 21 21 GLN HA H 4.271 0.01 . 105 21 21 GLN HB2 H 2.080 0.01 . 106 21 21 GLN HB3 H 1.915 0.01 . 107 21 21 GLN HG2 H 2.264 0.01 . 108 21 21 GLN HG3 H 2.318 0.01 . 109 21 21 GLN C C 175.872 0.1 . 110 21 21 GLN CA C 55.259 0.1 . 111 21 21 GLN CG C 35.096 0.1 . 112 22 22 GLY H H 7.883 0.01 . 113 22 22 GLY HA2 H 3.964 0.01 . 114 22 22 GLY C C 173.575 0.1 . 115 22 22 GLY CA C 44.969 0.1 . 116 22 22 GLY N N 107.931 0.1 . 117 23 23 SER H H 8.181 0.01 . 118 23 23 SER HA H 4.310 0.01 . 119 23 23 SER HB2 H 3.897 0.01 . 120 23 23 SER C C 173.105 0.1 . 121 23 23 SER CA C 55.655 0.1 . 122 23 23 SER CB C 66.891 0.1 . 123 23 23 SER N N 116.396 0.1 . 124 24 24 LEU H H 8.276 0.01 . 125 24 24 LEU HD1 H 1.374 0.01 . 126 24 24 LEU CA C 52.433 0.1 . 127 24 24 LEU CB C 39.859 0.1 . 128 24 24 LEU N N 121.799 0.1 . 129 25 25 ASN H H 8.477 0.01 . 130 25 25 ASN HA H 4.006 0.01 . 131 25 25 ASN HB2 H 2.146 0.01 . 132 25 25 ASN HD21 H 7.970 0.01 . 133 25 25 ASN HD22 H 6.832 0.01 . 134 25 25 ASN C C 175.196 0.1 . 135 25 25 ASN CB C 41.019 0.1 . 136 25 25 ASN N N 119.752 0.1 . 137 25 25 ASN ND2 N 112.279 0.1 . 138 26 26 LEU H H 8.449 0.01 . 139 26 26 LEU HA H 3.773 0.01 . 140 26 26 LEU HB2 H 1.516 0.01 . 141 26 26 LEU HG H 0.984 0.01 . 142 26 26 LEU HD1 H 0.552 0.01 . 143 26 26 LEU HD2 H 0.581 0.01 . 144 26 26 LEU C C 178.504 0.1 . 145 26 26 LEU CA C 57.529 0.1 . 146 26 26 LEU CB C 41.172 0.1 . 147 26 26 LEU CG C 25.420 0.1 . 148 26 26 LEU CD1 C 23.670 0.1 . 149 26 26 LEU CD2 C 22.312 0.1 . 150 26 26 LEU N N 119.851 0.1 . 151 27 27 GLU H H 8.607 0.01 . 152 27 27 GLU HA H 3.834 0.01 . 153 27 27 GLU HB2 H 2.037 0.01 . 154 27 27 GLU HG2 H 2.282 0.01 . 155 27 27 GLU HG3 H 2.391 0.01 . 156 27 27 GLU C C 178.927 0.1 . 157 27 27 GLU CA C 59.840 0.1 . 158 27 27 GLU CB C 27.216 0.1 . 159 27 27 GLU N N 120.715 0.1 . 160 28 28 ARG H H 7.883 0.01 . 161 28 28 ARG HA H 4.024 0.01 . 162 28 28 ARG HB2 H 1.927 0.01 . 163 28 28 ARG HB3 H 1.852 0.01 . 164 28 28 ARG HG2 H 1.532 0.01 . 165 28 28 ARG HD2 H 2.712 0.01 . 166 28 28 ARG C C 178.962 0.1 . 167 28 28 ARG CA C 57.462 0.1 . 168 28 28 ARG CG C 26.502 0.1 . 169 28 28 ARG CD C 42.604 0.1 . 170 28 28 ARG N N 118.642 0.1 . 171 29 29 ASP H H 8.049 0.01 . 172 29 29 ASP HA H 4.429 0.01 . 173 29 29 ASP HB2 H 3.032 0.01 . 174 29 29 ASP HB3 H 2.349 0.01 . 175 29 29 ASP C C 178.364 0.1 . 176 29 29 ASP CA C 57.462 0.1 . 177 29 29 ASP CB C 40.028 0.1 . 178 29 29 ASP N N 120.931 0.1 . 179 30 30 VAL H H 8.497 0.01 . 180 30 30 VAL HA H 3.587 0.01 . 181 30 30 VAL HB H 2.398 0.01 . 182 30 30 VAL HG1 H 1.417 0.01 . 183 30 30 VAL HG2 H 1.083 0.01 . 184 30 30 VAL C C 177.327 0.1 . 185 30 30 VAL CA C 67.170 0.1 . 186 30 30 VAL CB C 30.296 0.1 . 187 30 30 VAL CG1 C 23.813 0.1 . 188 30 30 VAL CG2 C 21.875 0.1 . 189 30 30 VAL N N 118.901 0.1 . 190 31 31 GLN H H 7.726 0.01 . 191 31 31 GLN HA H 3.974 0.01 . 192 31 31 GLN HB2 H 2.194 0.01 . 193 31 31 GLN HB3 H 2.128 0.01 . 194 31 31 GLN HG2 H 2.529 0.01 . 195 31 31 GLN HG3 H 2.386 0.01 . 196 31 31 GLN HE21 H 7.620 0.01 . 197 31 31 GLN HE22 H 6.762 0.01 . 198 31 31 GLN C C 179.066 0.1 . 199 31 31 GLN CA C 58.651 0.1 . 200 31 31 GLN N N 116.223 0.1 . 201 31 31 GLN NE2 N 111.505 0.1 . 202 32 32 ARG H H 8.495 0.01 . 203 32 32 ARG HA H 4.147 0.01 . 204 32 32 ARG HB2 H 2.207 0.01 . 205 32 32 ARG HB3 H 2.149 0.01 . 206 32 32 ARG HG2 H 1.744 0.01 . 207 32 32 ARG HG3 H 1.562 0.01 . 208 32 32 ARG HD2 H 3.429 0.01 . 209 32 32 ARG HD3 H 3.072 0.01 . 210 32 32 ARG C C 178.462 0.1 . 211 32 32 ARG CA C 57.264 0.1 . 212 32 32 ARG CG C 26.160 0.1 . 213 32 32 ARG CD C 42.194 0.1 . 214 32 32 ARG N N 119.937 0.1 . 215 33 33 ILE H H 8.577 0.01 . 216 33 33 ILE HA H 3.426 0.01 . 217 33 33 ILE HB H 1.925 0.01 . 218 33 33 ILE HG12 H 1.680 0.01 . 219 33 33 ILE HG2 H 0.722 0.01 . 220 33 33 ILE HD1 H 0.155 0.01 . 221 33 33 ILE C C 177.852 0.1 . 222 33 33 ILE CA C 65.189 0.1 . 223 33 33 ILE CB C 36.858 0.1 . 224 33 33 ILE CG1 C 29.330 0.1 . 225 33 33 ILE CG2 C 21.710 0.1 . 226 33 33 ILE CD1 C 15.468 0.1 . 227 33 33 ILE N N 119.765 0.1 . 228 34 34 LEU H H 8.006 0.01 . 229 34 34 LEU HA H 3.905 0.01 . 230 34 34 LEU HB2 H 2.000 0.01 . 231 34 34 LEU HB3 H 1.456 0.01 . 232 34 34 LEU HG H 1.733 0.01 . 233 34 34 LEU HD1 H 0.843 0.01 . 234 34 34 LEU HD2 H 0.793 0.01 . 235 34 34 LEU C C 179.977 0.1 . 236 34 34 LEU CA C 57.835 0.1 . 237 34 34 LEU CB C 40.400 0.1 . 238 34 34 LEU CG C 23.000 0.1 . 239 34 34 LEU CD1 C 24.280 0.1 . 240 34 34 LEU N N 118.728 0.1 . 241 35 35 GLU H H 7.960 0.01 . 242 35 35 GLU HA H 4.021 0.01 . 243 35 35 GLU HB2 H 1.752 0.01 . 244 35 35 GLU HG2 H 2.370 0.01 . 245 35 35 GLU HG3 H 2.092 0.01 . 246 35 35 GLU C C 179.126 0.1 . 247 35 35 GLU CA C 58.255 0.1 . 248 35 35 GLU CB C 28.339 0.1 . 249 35 35 GLU N N 120.715 0.1 . 250 36 36 LEU H H 8.703 0.01 . 251 36 36 LEU HA H 3.911 0.01 . 252 36 36 LEU HB2 H 1.954 0.01 . 253 36 36 LEU HB3 H 1.156 0.01 . 254 36 36 LEU HD1 H 0.919 0.01 . 255 36 36 LEU HD2 H 0.729 0.01 . 256 36 36 LEU C C 179.830 0.1 . 257 36 36 LEU CA C 57.264 0.1 . 258 36 36 LEU CB C 42.396 0.1 . 259 36 36 LEU CG C 25.896 0.1 . 260 36 36 LEU CD1 C 21.755 0.1 . 261 36 36 LEU N N 119.246 0.1 . 262 37 37 MET H H 8.804 0.01 . 263 37 37 MET HA H 3.758 0.01 . 264 37 37 MET HB2 H 2.327 0.01 . 265 37 37 MET HB3 H 1.981 0.01 . 266 37 37 MET HG2 H 3.084 0.01 . 267 37 37 MET HG3 H 1.914 0.01 . 268 37 37 MET HE H 1.911 0.01 . 269 37 37 MET C C 177.963 0.1 . 270 37 37 MET CA C 60.632 0.1 . 271 37 37 MET CB C 33.094 0.1 . 272 37 37 MET CG C 33.267 0.1 . 273 37 37 MET N N 116.482 0.1 . 274 38 38 GLU H H 7.535 0.01 . 275 38 38 GLU HA H 4.003 0.01 . 276 38 38 GLU HB2 H 2.123 0.01 . 277 38 38 GLU HG2 H 2.408 0.01 . 278 38 38 GLU HG3 H 2.227 0.01 . 279 38 38 GLU C C 179.016 0.1 . 280 38 38 GLU CA C 59.245 0.1 . 281 38 38 GLU CB C 28.272 0.1 . 282 38 38 GLU N N 119.246 0.1 . 283 39 39 HIS H H 7.747 0.01 . 284 39 39 HIS HA H 4.393 0.01 . 285 39 39 HIS HB2 H 3.214 0.01 . 286 39 39 HIS HB3 H 3.232 0.01 . 287 39 39 HIS HD1 H 7.016 0.01 . 288 39 39 HIS HE1 H 7.594 0.01 . 289 39 39 HIS C C 179.245 0.1 . 290 39 39 HIS CA C 58.255 0.1 . 291 39 39 HIS CB C 29.312 0.1 . 292 39 39 HIS CD2 C 119.404 0.1 . 293 39 39 HIS CE1 C 138.789 0.1 . 294 39 39 HIS N N 117.087 0.1 . 295 40 40 VAL H H 8.382 0.01 . 296 40 40 VAL HA H 3.839 0.01 . 297 40 40 VAL HB H 2.028 0.01 . 298 40 40 VAL HG1 H 0.927 0.01 . 299 40 40 VAL HG2 H 0.841 0.01 . 300 40 40 VAL C C 178.995 0.1 . 301 40 40 VAL CA C 65.189 0.1 . 302 40 40 VAL CG1 C 21.875 0.1 . 303 40 40 VAL CG2 C 24.717 0.1 . 304 40 40 VAL N N 119.074 0.1 . 305 41 41 GLN H H 8.346 0.01 . 306 41 41 GLN HA H 4.154 0.01 . 307 41 41 GLN HB2 H 2.846 0.01 . 308 41 41 GLN HG2 H 2.489 0.01 . 309 41 41 GLN HG3 H 2.202 0.01 . 310 41 41 GLN HE21 H 6.862 0.01 . 311 41 41 GLN HE22 H 6.767 0.01 . 312 41 41 GLN C C 178.277 0.1 . 313 41 41 GLN CA C 58.037 0.1 . 314 41 41 GLN CB C 28.285 0.1 . 315 41 41 GLN N N 120.887 0.1 . 316 41 41 GLN NE2 N 108.838 0.1 . 317 42 42 LYS H H 7.554 0.01 . 318 42 42 LYS HA H 4.113 0.01 . 319 42 42 LYS HB2 H 1.963 0.01 . 320 42 42 LYS HG2 H 1.688 0.01 . 321 42 42 LYS HG3 H 1.542 0.01 . 322 42 42 LYS HD2 H 1.699 0.01 . 323 42 42 LYS HZ H 2.970 0.01 . 324 42 42 LYS C C 178.198 0.1 . 325 42 42 LYS CA C 57.660 0.1 . 326 42 42 LYS CG C 25.314 0.1 . 327 42 42 LYS CD C 28.339 0.1 . 328 42 42 LYS CE C 41.777 0.1 . 329 42 42 LYS N N 116.482 0.1 . 330 43 43 THR H H 7.623 0.01 . 331 43 43 THR HA H 4.410 0.01 . 332 43 43 THR HB H 4.357 0.01 . 333 43 43 THR HG2 H 1.273 0.01 . 334 43 43 THR C C 176.351 0.1 . 335 43 43 THR CA C 63.208 0.1 . 336 43 43 THR CB C 69.151 0.1 . 337 43 43 THR CG2 C 21.562 0.1 . 338 43 43 THR N N 107.672 0.1 . 339 44 44 GLY H H 7.626 0.01 . 340 44 44 GLY HA2 H 4.007 0.01 . 341 44 44 GLY C C 174.422 0.1 . 342 44 44 GLY CA C 44.759 0.1 . 343 44 44 GLY N N 107.659 0.1 . 344 45 45 GLU H H 7.973 0.01 . 345 45 45 GLU HA H 4.172 0.01 . 346 45 45 GLU HB2 H 1.783 0.01 . 347 45 45 GLU HB3 H 1.606 0.01 . 348 45 45 GLU HG2 H 2.077 0.01 . 349 45 45 GLU C C 176.226 0.1 . 350 45 45 GLU CA C 56.670 0.1 . 351 45 45 GLU N N 118.728 0.1 . 352 46 46 VAL H H 7.816 0.01 . 353 46 46 VAL HA H 4.401 0.01 . 354 46 46 VAL HB H 2.068 0.01 . 355 46 46 VAL HG1 H 0.671 0.01 . 356 46 46 VAL HG2 H 0.681 0.01 . 357 46 46 VAL C C 174.996 0.1 . 358 46 46 VAL CA C 59.635 0.1 . 359 46 46 VAL CB C 27.104 0.1 . 360 46 46 VAL CG1 C 20.436 0.1 . 361 46 46 VAL N N 113.805 0.1 . 362 47 47 ASN H H 8.651 0.01 . 363 47 47 ASN HA H 4.521 0.01 . 364 47 47 ASN HB2 H 2.851 0.01 . 365 47 47 ASN HB3 H 2.704 0.01 . 366 47 47 ASN HD21 H 7.965 0.01 . 367 47 47 ASN HD22 H 7.072 0.01 . 368 47 47 ASN C C 175.926 0.1 . 369 47 47 ASN CA C 52.708 0.1 . 370 47 47 ASN CB C 37.453 0.1 . 371 47 47 ASN N N 120.196 0.1 . 372 47 47 ASN ND2 N 111.419 0.1 . 373 48 48 ASN H H 8.574 0.01 . 374 48 48 ASN HA H 4.247 0.01 . 375 48 48 ASN HB2 H 2.835 0.01 . 376 48 48 ASN HD21 H 7.549 0.01 . 377 48 48 ASN HD22 H 7.008 0.01 . 378 48 48 ASN C C 177.111 0.1 . 379 48 48 ASN CA C 55.085 0.1 . 380 48 48 ASN CB C 37.849 0.1 . 381 48 48 ASN ND2 N 110.473 0.1 . 382 49 49 ALA H H 8.268 0.01 . 383 49 49 ALA HA H 4.149 0.01 . 384 49 49 ALA HB H 1.488 0.01 . 385 49 49 ALA C C 181.067 0.1 . 386 49 49 ALA CA C 54.665 0.1 . 387 49 49 ALA N N 123.565 0.1 . 388 50 50 LYS H H 7.700 0.01 . 389 50 50 LYS HA H 4.003 0.01 . 390 50 50 LYS HB2 H 1.859 0.01 . 391 50 50 LYS HG2 H 1.461 0.01 . 392 50 50 LYS HD2 H 1.649 0.01 . 393 50 50 LYS HZ H 3.063 0.01 . 394 50 50 LYS C C 179.677 0.1 . 395 50 50 LYS CA C 57.859 0.1 . 396 50 50 LYS CB C 31.311 0.1 . 397 50 50 LYS CG C 24.740 0.1 . 398 50 50 LYS CD C 28.537 0.1 . 399 50 50 LYS CE C 41.415 0.1 . 400 50 50 LYS N N 115.791 0.1 . 401 51 51 LEU H H 7.084 0.01 . 402 51 51 LEU HA H 3.964 0.01 . 403 51 51 LEU HB2 H 1.734 0.01 . 404 51 51 LEU HG H 0.855 0.01 . 405 51 51 LEU HD1 H 0.885 0.01 . 406 51 51 LEU HD2 H 0.787 0.01 . 407 51 51 LEU C C 178.146 0.1 . 408 51 51 LEU CA C 58.057 0.1 . 409 51 51 LEU CB C 40.226 0.1 . 410 51 51 LEU CG C 27.878 0.1 . 411 51 51 LEU CD1 C 25.439 0.1 . 412 51 51 LEU CD2 C 24.626 0.1 . 413 51 51 LEU N N 120.110 0.1 . 414 52 52 ALA H H 8.384 0.01 . 415 52 52 ALA HA H 4.155 0.01 . 416 52 52 ALA HB H 1.425 0.01 . 417 52 52 ALA C C 180.236 0.1 . 418 52 52 ALA CA C 54.094 0.1 . 419 52 52 ALA CB C 17.779 0.1 . 420 52 52 ALA N N 121.492 0.1 . 421 53 53 SER H H 7.726 0.01 . 422 53 53 SER HA H 4.223 0.01 . 423 53 53 SER HB2 H 3.962 0.01 . 424 53 53 SER C C 177.863 0.1 . 425 53 53 SER CA C 60.608 0.1 . 426 53 53 SER CB C 62.415 0.1 . 427 53 53 SER N N 111.386 0.1 . 428 54 54 LEU H H 7.229 0.01 . 429 54 54 LEU HA H 4.152 0.01 . 430 54 54 LEU HB2 H 1.472 0.01 . 431 54 54 LEU HB3 H 1.212 0.01 . 432 54 54 LEU HG H 0.955 0.01 . 433 54 54 LEU HD2 H 0.781 0.01 . 434 54 54 LEU C C 177.711 0.1 . 435 54 54 LEU CA C 56.670 0.1 . 436 54 54 LEU CB C 40.625 0.1 . 437 54 54 LEU CG C 26.189 0.1 . 438 54 54 LEU CD1 C 21.672 0.1 . 439 54 54 LEU CD2 C 21.124 0.1 . 440 54 54 LEU N N 120.887 0.1 . 441 55 55 GLN H H 8.596 0.01 . 442 55 55 GLN HA H 3.946 0.01 . 443 55 55 GLN HB2 H 2.237 0.01 . 444 55 55 GLN HB3 H 2.145 0.01 . 445 55 55 GLN HG2 H 2.342 0.01 . 446 55 55 GLN HG3 H 2.452 0.01 . 447 55 55 GLN C C 176.590 0.1 . 448 55 55 GLN CA C 59.444 0.1 . 449 55 55 GLN CG C 31.509 0.1 . 450 55 55 GLN N N 121.406 0.1 . 451 56 56 GLN H H 7.920 0.01 . 452 56 56 GLN HA H 3.952 0.01 . 453 56 56 GLN HB2 H 2.216 0.01 . 454 56 56 GLN HB3 H 2.145 0.01 . 455 56 56 GLN HG2 H 2.567 0.01 . 456 56 56 GLN HG3 H 2.457 0.01 . 457 56 56 GLN HE21 H 7.369 0.01 . 458 56 56 GLN HE22 H 6.861 0.01 . 459 56 56 GLN C C 179.017 0.1 . 460 56 56 GLN CA C 58.255 0.1 . 461 56 56 GLN CB C 28.113 0.1 . 462 56 56 GLN N N 113.805 0.1 . 463 56 56 GLN NE2 N 111.849 0.1 . 464 57 57 VAL H H 6.912 0.01 . 465 57 57 VAL HA H 3.864 0.01 . 466 57 57 VAL HB H 1.987 0.01 . 467 57 57 VAL HG1 H 0.917 0.01 . 468 57 57 VAL HG2 H 0.494 0.01 . 469 57 57 VAL C C 177.848 0.1 . 470 57 57 VAL CA C 64.793 0.1 . 471 57 57 VAL CB C 31.707 0.1 . 472 57 57 VAL CG1 C 22.750 0.1 . 473 57 57 VAL CG2 C 20.657 0.1 . 474 57 57 VAL N N 115.100 0.1 . 475 58 58 LEU H H 7.579 0.01 . 476 58 58 LEU HA H 3.152 0.01 . 477 58 58 LEU HB2 H 1.565 0.01 . 478 58 58 LEU HB3 H 1.241 0.01 . 479 58 58 LEU HG H 0.763 0.01 . 480 58 58 LEU HD1 H 0.643 0.01 . 481 58 58 LEU HD2 H 0.312 0.01 . 482 58 58 LEU C C 176.816 0.1 . 483 58 58 LEU CA C 56.076 0.1 . 484 58 58 LEU CB C 40.821 0.1 . 485 58 58 LEU CG C 25.962 0.1 . 486 58 58 LEU CD1 C 21.499 0.1 . 487 58 58 LEU CD2 C 22.643 0.1 . 488 58 58 LEU N N 117.778 0.1 . 489 59 59 GLN H H 7.704 0.01 . 490 59 59 GLN HA H 4.394 0.01 . 491 59 59 GLN HB2 H 2.167 0.01 . 492 59 59 GLN HB3 H 2.000 0.01 . 493 59 59 GLN HG2 H 2.431 0.01 . 494 59 59 GLN HG3 H 2.322 0.01 . 495 59 59 GLN HE21 H 7.325 0.01 . 496 59 59 GLN HE22 H 6.761 0.01 . 497 59 59 GLN C C 176.198 0.1 . 498 59 59 GLN CA C 55.085 0.1 . 499 59 59 GLN CB C 28.933 0.1 . 500 59 59 GLN N N 111.434 0.1 . 501 59 59 GLN NE2 N 109.870 0.1 . 502 60 60 SER H H 7.625 0.01 . 503 60 60 SER HA H 4.662 0.01 . 504 60 60 SER HB2 H 4.527 0.01 . 505 60 60 SER C C 178.199 0.1 . 506 60 60 SER CA C 58.057 0.1 . 507 60 60 SER CB C 64.396 0.1 . 508 60 60 SER N N 115.791 0.1 . 509 61 61 GLU H H 8.181 0.01 . 510 61 61 GLU HA H 4.193 0.01 . 511 61 61 GLU HB2 H 2.069 0.01 . 512 61 61 GLU HG2 H 2.496 0.01 . 513 61 61 GLU HG3 H 2.410 0.01 . 514 61 61 GLU C C 180.022 0.1 . 515 61 61 GLU CA C 58.849 0.1 . 516 61 61 GLU CB C 28.537 0.1 . 517 61 61 GLU CG C 36.264 0.1 . 518 61 61 GLU N N 122.490 0.1 . 519 62 62 PHE H H 9.072 0.01 . 520 62 62 PHE HA H 4.253 0.01 . 521 62 62 PHE HB2 H 3.317 0.01 . 522 62 62 PHE HB3 H 3.046 0.01 . 523 62 62 PHE HD1 H 7.247 0.01 . 524 62 62 PHE HE1 H 6.582 0.01 . 525 62 62 PHE HZ H 6.677 0.01 . 526 62 62 PHE CA C 61.028 0.1 . 527 62 62 PHE CB C 39.236 0.1 . 528 62 62 PHE N N 120.590 0.1 . 529 63 63 PHE H H 8.195 0.01 . 530 63 63 PHE HA H 4.220 0.01 . 531 63 63 PHE HB2 H 3.142 0.01 . 532 63 63 PHE HB3 H 3.116 0.01 . 533 63 63 PHE HD1 H 7.103 0.01 . 534 63 63 PHE HE1 H 6.935 0.01 . 535 63 63 PHE HZ H 6.677 0.01 . 536 63 63 PHE C C 177.183 0.1 . 537 63 63 PHE CA C 62.217 0.1 . 538 63 63 PHE CB C 39.434 0.1 . 539 63 63 PHE N N 118.469 0.1 . 540 64 64 GLY H H 7.894 0.01 . 541 64 64 GLY HA2 H 3.627 0.01 . 542 64 64 GLY HA3 H 3.997 0.01 . 543 64 64 GLY C C 175.121 0.1 . 544 64 64 GLY CA C 46.938 0.1 . 545 64 64 GLY N N 104.994 0.1 . 546 65 65 ALA H H 7.825 0.01 . 547 65 65 ALA HA H 4.135 0.01 . 548 65 65 ALA HB H 1.369 0.01 . 549 65 65 ALA C C 180.301 0.1 . 550 65 65 ALA CA C 53.896 0.1 . 551 65 65 ALA CB C 18.060 0.1 . 552 65 65 ALA N N 123.697 0.1 . 553 66 66 VAL H H 7.845 0.01 . 554 66 66 VAL HA H 3.293 0.01 . 555 66 66 VAL HB H 1.416 0.01 . 556 66 66 VAL HG1 H 0.567 0.01 . 557 66 66 VAL HG2 H 0.439 0.01 . 558 66 66 VAL C C 177.300 0.1 . 559 66 66 VAL CA C 65.585 0.1 . 560 66 66 VAL CG1 C 20.574 0.1 . 561 66 66 VAL N N 118.406 0.1 . 562 67 67 ARG H H 8.567 0.01 . 563 67 67 ARG HA H 3.538 0.01 . 564 67 67 ARG HB2 H 1.927 0.01 . 565 67 67 ARG HG2 H 1.277 0.01 . 566 67 67 ARG HD2 H 2.990 0.01 . 567 67 67 ARG CA C 56.529 0.1 . 568 67 67 ARG N N 119.505 0.1 . 569 68 68 GLU H H 7.947 0.01 . 570 68 68 GLU HA H 4.019 0.01 . 571 68 68 GLU HB2 H 2.060 0.01 . 572 68 68 GLU HG2 H 2.401 0.01 . 573 68 68 GLU C C 179.122 0.1 . 574 68 68 GLU CB C 35.947 0.1 . 575 68 68 GLU N N 117.270 0.1 . 576 69 69 VAL H H 7.454 0.01 . 577 69 69 VAL HA H 3.857 0.01 . 578 69 69 VAL HB H 1.705 0.01 . 579 69 69 VAL HG1 H 1.042 0.01 . 580 69 69 VAL CA C 61.500 0.1 . 581 69 69 VAL CB C 38.345 0.1 . 582 69 69 VAL N N 117.480 0.1 . 583 70 70 TYR H H 8.193 0.01 . 584 70 70 TYR HA H 4.324 0.01 . 585 70 70 TYR HB2 H 2.986 0.01 . 586 70 70 TYR HB3 H 2.845 0.01 . 587 70 70 TYR HD1 H 6.814 0.01 . 588 70 70 TYR HE1 H 6.627 0.01 . 589 70 70 TYR C C 177.613 0.1 . 590 70 70 TYR CA C 62.415 0.1 . 591 70 70 TYR CB C 39.037 0.1 . 592 70 70 TYR CD1 C 132.575 0.1 . 593 70 70 TYR CE1 C 118.198 0.1 . 594 70 70 TYR N N 123.133 0.1 . 595 71 71 GLU H H 8.579 0.01 . 596 71 71 GLU HA H 4.066 0.01 . 597 71 71 GLU HB2 H 2.417 0.01 . 598 71 71 GLU HB3 H 2.112 0.01 . 599 71 71 GLU HG2 H 2.627 0.01 . 600 71 71 GLU C C 178.883 0.1 . 601 71 71 GLU CA C 57.660 0.1 . 602 71 71 GLU CB C 29.698 0.1 . 603 71 71 GLU CG C 36.079 0.1 . 604 71 71 GLU N N 116.012 0.1 . 605 72 72 THR HA H 4.579 0.01 . 606 72 72 THR HB H 4.099 0.01 . 607 72 72 THR HG2 H 1.238 0.01 . 608 72 72 THR C C 176.525 0.1 . 609 72 72 THR CA C 59.047 0.1 . 610 72 72 THR CB C 69.151 0.1 . 611 72 72 THR N N 113.027 0.1 . 612 73 73 VAL H H 7.843 0.01 . 613 73 73 VAL HA H 3.684 0.01 . 614 73 73 VAL HB H 1.868 0.01 . 615 73 73 VAL HG1 H 0.766 0.01 . 616 73 73 VAL HG2 H 0.467 0.01 . 617 73 73 VAL C C 177.719 0.1 . 618 73 73 VAL CA C 57.562 0.1 . 619 73 73 VAL CB C 31.113 0.1 . 620 73 73 VAL CG2 C 18.607 0.1 . 621 73 73 VAL N N 120.244 0.1 . 622 74 74 TYR H H 8.040 0.01 . 623 74 74 TYR HA H 4.286 0.01 . 624 74 74 TYR HB2 H 2.872 0.01 . 625 74 74 TYR HB3 H 2.793 0.01 . 626 74 74 TYR HD1 H 7.017 0.01 . 627 74 74 TYR C C 177.189 0.1 . 628 74 74 TYR CA C 62.812 0.1 . 629 74 74 TYR CB C 38.899 0.1 . 630 74 74 TYR N N 119.553 0.1 . 631 75 75 GLU H H 8.304 0.01 . 632 75 75 GLU HA H 4.329 0.01 . 633 75 75 GLU HB2 H 2.785 0.01 . 634 75 75 GLU HG2 H 2.951 0.01 . 635 75 75 GLU C C 176.369 0.1 . 636 75 75 GLU CA C 56.274 0.1 . 637 75 75 GLU CB C 37.849 0.1 . 638 75 75 GLU CG C 41.217 0.1 . 639 75 75 GLU N N 122.058 0.1 . 640 76 76 SER H H 7.948 0.01 . 641 76 76 SER HA H 4.454 0.01 . 642 76 76 SER HB2 H 3.930 0.01 . 643 76 76 SER HB3 H 3.820 0.01 . 644 76 76 SER C C 175.470 0.1 . 645 76 76 SER CA C 58.057 0.1 . 646 76 76 SER CB C 63.406 0.1 . 647 76 76 SER N N 114.323 0.1 . 648 77 77 ILE H H 7.866 0.01 . 649 77 77 ILE HA H 4.123 0.01 . 650 77 77 ILE HB H 1.819 0.01 . 651 77 77 ILE HG12 H 1.476 0.01 . 652 77 77 ILE HG13 H 1.129 0.01 . 653 77 77 ILE HD1 H 0.853 0.01 . 654 77 77 ILE C C 175.809 0.1 . 655 77 77 ILE CA C 60.442 0.1 . 656 77 77 ILE CB C 38.421 0.1 . 657 77 77 ILE CG1 C 26.536 0.1 . 658 77 77 ILE CG2 C 16.670 0.1 . 659 77 77 ILE CD1 C 17.435 0.1 . 660 77 77 ILE N N 121.751 0.1 . 661 78 78 ASP H H 8.304 0.01 . 662 78 78 ASP HA H 4.599 0.01 . 663 78 78 ASP HB2 H 2.721 0.01 . 664 78 78 ASP HB3 H 2.642 0.01 . 665 78 78 ASP C C 176.120 0.1 . 666 78 78 ASP CA C 53.868 0.1 . 667 78 78 ASP N N 123.651 0.1 . 668 79 79 ALA H H 8.253 0.01 . 669 79 79 ALA HA H 4.247 0.01 . 670 79 79 ALA HB H 1.399 0.01 . 671 79 79 ALA C C 177.604 0.1 . 672 79 79 ALA CA C 52.509 0.1 . 673 79 79 ALA CB C 18.858 0.1 . 674 79 79 ALA N N 123.651 0.1 . 675 80 80 ASP H H 8.326 0.01 . 676 80 80 ASP HA H 4.195 0.01 . 677 80 80 ASP HB2 H 2.742 0.01 . 678 80 80 ASP HB3 H 2.614 0.01 . 679 80 80 ASP C C 176.587 0.1 . 680 80 80 ASP CA C 54.477 0.1 . 681 80 80 ASP CB C 40.763 0.1 . 682 80 80 ASP N N 117.389 0.1 . 683 81 81 THR H H 7.891 0.01 . 684 81 81 THR HA H 4.413 0.01 . 685 81 81 THR HB H 4.240 0.01 . 686 81 81 THR HG2 H 1.158 0.01 . 687 81 81 THR C C 174.538 0.1 . 688 81 81 THR CA C 61.227 0.1 . 689 81 81 THR CB C 69.066 0.1 . 690 81 81 THR CG2 C 20.937 0.1 . 691 81 81 THR N N 112.854 0.1 . 692 82 82 THR H H 8.077 0.01 . 693 82 82 THR HA H 4.583 0.01 . 694 82 82 THR HB H 4.323 0.01 . 695 82 82 THR HG2 H 1.525 0.01 . 696 82 82 THR CA C 59.420 0.1 . 697 82 82 THR CB C 68.854 0.1 . 698 82 82 THR N N 117.074 0.1 . 699 83 83 PRO C C 177.646 0.1 . 700 83 83 PRO CA C 63.856 0.1 . 701 83 83 PRO CB C 31.075 0.1 . 702 83 83 PRO CG C 27.036 0.1 . 703 83 83 PRO CD C 50.326 0.1 . 704 84 84 GLU H H 8.554 0.01 . 705 84 84 GLU HA H 4.165 0.01 . 706 84 84 GLU HB2 H 1.978 0.01 . 707 84 84 GLU HG2 H 2.255 0.01 . 708 84 84 GLU C C 177.290 0.1 . 709 84 84 GLU CA C 57.264 0.1 . 710 84 84 GLU CB C 29.132 0.1 . 711 84 84 GLU CG C 35.669 0.1 . 712 84 84 GLU N N 118.814 0.1 . 713 85 85 ILE H H 7.875 0.01 . 714 85 85 ILE HA H 4.044 0.01 . 715 85 85 ILE HB H 1.887 0.01 . 716 85 85 ILE HG12 H 1.486 0.01 . 717 85 85 ILE HG13 H 1.180 0.01 . 718 85 85 ILE HG2 H 1.217 0.01 . 719 85 85 ILE HD1 H 0.860 0.01 . 720 85 85 ILE C C 176.942 0.1 . 721 85 85 ILE CA C 61.425 0.1 . 722 85 85 ILE CB C 37.453 0.1 . 723 85 85 ILE CG1 C 27.878 0.1 . 724 85 85 ILE CG2 C 16.899 0.1 . 725 85 85 ILE CD1 C 14.371 0.1 . 726 85 85 ILE N N 121.319 0.1 . 727 86 86 LYS H H 8.178 0.01 . 728 86 86 LYS HA H 4.208 0.01 . 729 86 86 LYS HB2 H 1.824 0.01 . 730 86 86 LYS HG2 H 1.451 0.01 . 731 86 86 LYS HG3 H 1.386 0.01 . 732 86 86 LYS HD2 H 1.826 0.01 . 733 86 86 LYS HD3 H 1.755 0.01 . 734 86 86 LYS HZ H 2.949 0.01 . 735 86 86 LYS C C 177.033 0.1 . 736 86 86 LYS CA C 56.472 0.1 . 737 86 86 LYS CB C 36.264 0.1 . 738 86 86 LYS CG C 18.403 0.1 . 739 86 86 LYS CE C 38.460 0.1 . 740 86 86 LYS N N 123.911 0.1 . 741 87 87 ALA H H 8.157 0.01 . 742 87 87 ALA HA H 4.208 0.01 . 743 87 87 ALA HB H 1.463 0.01 . 744 87 87 ALA CA C 52.509 0.1 . 745 87 87 ALA CB C 18.936 0.1 . 746 87 87 ALA N N 122.945 0.1 . 747 88 88 ALA HB H 1.309 0.01 . 748 88 88 ALA CA C 52.952 0.1 . 749 88 88 ALA CB C 18.310 0.1 . 750 89 89 ALA H H 7.989 0.01 . 751 89 89 ALA CA C 53.269 0.1 . 752 89 89 ALA CB C 19.538 0.1 . 753 89 89 ALA N N 122.183 0.1 . 754 101 101 SER H H 8.415 0.01 . 755 101 101 SER HA H 4.689 0.01 . 756 101 101 SER HB2 H 4.389 0.01 . 757 101 101 SER C C 175.357 0.1 . 758 101 101 SER CA C 57.211 0.1 . 759 101 101 SER N N 113.398 0.1 . 760 102 102 ASP H H 8.209 0.01 . 761 102 102 ASP HA H 4.947 0.01 . 762 102 102 ASP HB2 H 2.875 0.01 . 763 102 102 ASP HB3 H 2.487 0.01 . 764 102 102 ASP C C 177.554 0.1 . 765 102 102 ASP CA C 52.113 0.1 . 766 102 102 ASP CB C 40.028 0.1 . 767 102 102 ASP N N 121.916 0.1 . 768 103 103 ALA H H 8.370 0.01 . 769 103 103 ALA C C 180.072 0.1 . 770 103 103 ALA CA C 56.047 0.1 . 771 103 103 ALA CB C 19.095 0.1 . 772 103 103 ALA N N 118.776 0.1 . 773 104 104 VAL H H 9.471 0.01 . 774 104 104 VAL HA H 3.422 0.01 . 775 104 104 VAL HB H 2.194 0.01 . 776 104 104 VAL HG1 H 1.030 0.01 . 777 104 104 VAL HG2 H 0.906 0.01 . 778 104 104 VAL C C 178.438 0.1 . 779 104 104 VAL CA C 67.170 0.1 . 780 104 104 VAL CB C 30.717 0.1 . 781 104 104 VAL CG1 C 23.688 0.1 . 782 104 104 VAL N N 117.908 0.1 . 783 105 105 GLN H H 7.757 0.01 . 784 105 105 GLN HA H 3.976 0.01 . 785 105 105 GLN HB2 H 1.866 0.01 . 786 105 105 GLN HG2 H 2.198 0.01 . 787 105 105 GLN HG3 H 2.128 0.01 . 788 105 105 GLN C C 178.614 0.1 . 789 105 105 GLN CA C 58.453 0.1 . 790 105 105 GLN CB C 27.150 0.1 . 791 105 105 GLN N N 119.592 0.1 . 792 106 106 ARG H H 8.581 0.01 . 793 106 106 ARG HA H 3.746 0.01 . 794 106 106 ARG HB2 H 1.836 0.01 . 795 106 106 ARG HG2 H 1.619 0.01 . 796 106 106 ARG HD2 H 3.086 0.01 . 797 106 106 ARG HD3 H 2.539 0.01 . 798 106 106 ARG C C 180.486 0.1 . 799 106 106 ARG CA C 56.076 0.1 . 800 106 106 ARG CB C 26.940 0.1 . 801 106 106 ARG CG C 27.143 0.1 . 802 106 106 ARG CD C 43.594 0.1 . 803 106 106 ARG N N 117.605 0.1 . 804 107 107 ALA H H 8.583 0.01 . 805 107 107 ALA HA H 3.950 0.01 . 806 107 107 ALA HB H 1.487 0.01 . 807 107 107 ALA C C 178.952 0.1 . 808 107 107 ALA CA C 55.085 0.1 . 809 107 107 ALA CB C 18.248 0.1 . 810 107 107 ALA N N 122.153 0.1 . 811 108 108 LYS H H 8.605 0.01 . 812 108 108 LYS HA H 3.908 0.01 . 813 108 108 LYS HB2 H 1.974 0.01 . 814 108 108 LYS HB3 H 2.023 0.01 . 815 108 108 LYS HG2 H 1.660 0.01 . 816 108 108 LYS HG3 H 1.397 0.01 . 817 108 108 LYS HD2 H 1.661 0.01 . 818 108 108 LYS C C 179.670 0.1 . 819 108 108 LYS CA C 59.840 0.1 . 820 108 108 LYS CB C 31.509 0.1 . 821 108 108 LYS CG C 25.689 0.1 . 822 108 108 LYS CD C 28.735 0.1 . 823 108 108 LYS CE C 41.374 0.1 . 824 108 108 LYS N N 119.505 0.1 . 825 109 109 GLU H H 8.376 0.01 . 826 109 109 GLU HA H 4.137 0.01 . 827 109 109 GLU HB2 H 2.103 0.01 . 828 109 109 GLU HB3 H 1.998 0.01 . 829 109 109 GLU HG2 H 2.683 0.01 . 830 109 109 GLU HG3 H 2.345 0.01 . 831 109 109 GLU C C 180.497 0.1 . 832 109 109 GLU CA C 59.233 0.1 . 833 109 109 GLU N N 117.691 0.1 . 834 110 110 VAL H H 7.535 0.01 . 835 110 110 VAL HA H 3.440 0.01 . 836 110 110 VAL HB H 2.266 0.01 . 837 110 110 VAL HG1 H 0.997 0.01 . 838 110 110 VAL C C 177.221 0.1 . 839 110 110 VAL CA C 66.972 0.1 . 840 110 110 VAL CG1 C 25.939 0.1 . 841 110 110 VAL N N 120.283 0.1 . 842 111 111 LEU H H 8.495 0.01 . 843 111 111 LEU HA H 3.837 0.01 . 844 111 111 LEU HG H 1.271 0.01 . 845 111 111 LEU HD1 H 0.760 0.01 . 846 111 111 LEU HD2 H 0.730 0.01 . 847 111 111 LEU C C 179.779 0.1 . 848 111 111 LEU CA C 57.660 0.1 . 849 111 111 LEU CB C 40.431 0.1 . 850 111 111 LEU CG C 26.228 0.1 . 851 111 111 LEU CD1 C 23.212 0.1 . 852 111 111 LEU N N 120.196 0.1 . 853 112 112 GLU H H 8.201 0.01 . 854 112 112 GLU HA H 3.979 0.01 . 855 112 112 GLU HB2 H 2.106 0.01 . 856 112 112 GLU HG2 H 2.401 0.01 . 857 112 112 GLU C C 179.071 0.1 . 858 112 112 GLU CA C 59.047 0.1 . 859 112 112 GLU CG C 36.066 0.1 . 860 112 112 GLU N N 119.333 0.1 . 861 113 113 GLU H H 7.581 0.01 . 862 113 113 GLU HA H 4.284 0.01 . 863 113 113 GLU HB2 H 2.089 0.01 . 864 113 113 GLU HG2 H 2.254 0.01 . 865 113 113 GLU C C 175.132 0.1 . 866 113 113 GLU CA C 58.453 0.1 . 867 113 113 GLU CB C 27.978 0.1 . 868 113 113 GLU CG C 29.330 0.1 . 869 113 113 GLU N N 118.901 0.1 . 870 114 114 ILE H H 8.434 0.01 . 871 114 114 ILE HA H 4.217 0.01 . 872 114 114 ILE HB H 2.209 0.01 . 873 114 114 ILE HG12 H 1.569 0.01 . 874 114 114 ILE HG13 H 1.450 0.01 . 875 114 114 ILE HG2 H 0.981 0.01 . 876 114 114 ILE HD1 H 0.843 0.01 . 877 114 114 ILE C C 178.353 0.1 . 878 114 114 ILE CA C 63.406 0.1 . 879 114 114 ILE CB C 36.858 0.1 . 880 114 114 ILE CG1 C 24.939 0.1 . 881 114 114 ILE CG2 C 17.748 0.1 . 882 114 114 ILE CD1 C 14.433 0.1 . 883 114 114 ILE N N 109.227 0.1 . 884 115 115 SER H H 7.814 0.01 . 885 115 115 SER HA H 3.994 0.01 . 886 115 115 SER HB2 H 3.877 0.01 . 887 115 115 SER HB3 H 3.788 0.01 . 888 115 115 SER C C 174.305 0.1 . 889 115 115 SER CA C 61.028 0.1 . 890 115 115 SER CB C 62.812 0.1 . 891 115 115 SER N N 117.260 0.1 . 892 116 116 CYS H H 7.359 0.01 . 893 116 116 CYS HA H 4.240 0.01 . 894 116 116 CYS HB2 H 2.779 0.01 . 895 116 116 CYS HB3 H 2.612 0.01 . 896 116 116 CYS C C 173.121 0.1 . 897 116 116 CYS CA C 59.047 0.1 . 898 116 116 CYS CB C 26.877 0.1 . 899 116 116 CYS N N 116.223 0.1 . 900 117 117 TYR H H 7.127 0.01 . 901 117 117 TYR HA H 5.060 0.01 . 902 117 117 TYR HB2 H 3.160 0.01 . 903 117 117 TYR HB3 H 2.647 0.01 . 904 117 117 TYR HD1 H 7.041 0.01 . 905 117 117 TYR HE1 H 6.798 0.01 . 906 117 117 TYR HE2 H 6.807 0.01 . 907 117 117 TYR CA C 55.083 0.1 . 908 117 117 TYR CB C 37.849 0.1 . 909 117 117 TYR CE1 C 133.224 0.1 . 910 117 117 TYR N N 117.864 0.1 . 911 118 118 PRO HA H 4.321 0.01 . 912 118 118 PRO HB3 H 3.416 0.01 . 913 118 118 PRO HD2 H 3.658 0.01 . 914 118 118 PRO HD3 H 3.438 0.01 . 915 118 118 PRO C C 177.363 0.1 . 916 118 118 PRO CA C 63.802 0.1 . 917 118 118 PRO CB C 31.479 0.1 . 918 118 118 PRO CG C 26.699 0.1 . 919 118 118 PRO CD C 50.132 0.1 . 920 119 119 GLU H H 8.717 0.01 . 921 119 119 GLU HA H 4.314 0.01 . 922 119 119 GLU HB2 H 1.947 0.01 . 923 119 119 GLU HB3 H 1.831 0.01 . 924 119 119 GLU HG2 H 2.282 0.01 . 925 119 119 GLU HG3 H 2.184 0.01 . 926 119 119 GLU C C 176.003 0.1 . 927 119 119 GLU CA C 55.481 0.1 . 928 119 119 GLU CB C 28.735 0.1 . 929 119 119 GLU N N 117.173 0.1 . 930 120 120 ASN H H 7.484 0.01 . 931 120 120 ASN HA H 4.745 0.01 . 932 120 120 ASN HB2 H 3.003 0.01 . 933 120 120 ASN HB3 H 2.796 0.01 . 934 120 120 ASN HD21 H 7.904 0.01 . 935 120 120 ASN HD22 H 7.273 0.01 . 936 120 120 ASN C C 174.468 0.1 . 937 120 120 ASN CA C 52.091 0.1 . 938 120 120 ASN CB C 38.572 0.1 . 939 120 120 ASN N N 119.851 0.1 . 940 120 120 ASN ND2 N 113.140 0.1 . 941 121 121 ASN H H 7.904 0.01 . 942 121 121 ASN HA H 4.478 0.01 . 943 121 121 ASN HB2 H 2.730 0.01 . 944 121 121 ASN HB3 H 2.622 0.01 . 945 121 121 ASN C C 177.648 0.1 . 946 121 121 ASN CA C 52.089 0.1 . 947 121 121 ASN CB C 39.517 0.1 . 948 121 121 ASN N N 123.647 0.1 . 949 122 122 ASP H H 8.120 0.01 . 950 122 122 ASP HA H 4.450 0.01 . 951 122 122 ASP HB2 H 2.722 0.01 . 952 122 122 ASP HB3 H 2.401 0.01 . 953 122 122 ASP C C 178.303 0.1 . 954 122 122 ASP CA C 56.868 0.1 . 955 122 122 ASP CB C 40.004 0.1 . 956 122 122 ASP N N 120.540 0.1 . 957 123 123 ALA H H 8.217 0.01 . 958 123 123 ALA HA H 4.207 0.01 . 959 123 123 ALA HB H 1.357 0.01 . 960 123 123 ALA C C 179.147 0.1 . 961 123 123 ALA CA C 54.634 0.1 . 962 123 123 ALA CB C 17.671 0.1 . 963 123 123 ALA N N 122.183 0.1 . 964 124 124 LYS H H 8.192 0.01 . 965 124 124 LYS HA H 3.816 0.01 . 966 124 124 LYS HB2 H 1.914 0.01 . 967 124 124 LYS HB3 H 1.845 0.01 . 968 124 124 LYS HG2 H 0.969 0.01 . 969 124 124 LYS HG3 H 0.697 0.01 . 970 124 124 LYS HD2 H 1.630 0.01 . 971 124 124 LYS HD3 H 1.375 0.01 . 972 124 124 LYS HZ H 3.062 0.01 . 973 124 124 LYS C C 179.561 0.1 . 974 124 124 LYS CA C 59.444 0.1 . 975 124 124 LYS CB C 31.905 0.1 . 976 124 124 LYS CG C 24.399 0.1 . 977 124 124 LYS CE C 41.193 0.1 . 978 124 124 LYS N N 117.447 0.1 . 979 125 125 GLU H H 7.802 0.01 . 980 125 125 GLU HA H 4.145 0.01 . 981 125 125 GLU HB2 H 1.947 0.01 . 982 125 125 GLU HG2 H 2.108 0.01 . 983 125 125 GLU C C 177.660 0.1 . 984 125 125 GLU CA C 58.269 0.1 . 985 125 125 GLU CB C 28.517 0.1 . 986 125 125 GLU CG C 35.181 0.1 . 987 125 125 GLU N N 121.406 0.1 . 988 126 126 LEU H H 8.176 0.01 . 989 126 126 LEU HA H 3.736 0.01 . 990 126 126 LEU HB2 H 1.770 0.01 . 991 126 126 LEU HB3 H 1.640 0.01 . 992 126 126 LEU HG H 1.482 0.01 . 993 126 126 LEU HD1 H 0.831 0.01 . 994 126 126 LEU HD2 H 0.725 0.01 . 995 126 126 LEU C C 177.602 0.1 . 996 126 126 LEU CA C 57.660 0.1 . 997 126 126 LEU CB C 41.217 0.1 . 998 126 126 LEU CD1 C 25.251 0.1 . 999 126 126 LEU N N 120.542 0.1 . 1000 127 127 LYS H H 8.039 0.01 . 1001 127 127 LYS HA H 3.656 0.01 . 1002 127 127 LYS HB2 H 1.960 0.01 . 1003 127 127 LYS HB3 H 1.720 0.01 . 1004 127 127 LYS HG2 H 1.327 0.01 . 1005 127 127 LYS HG3 H 1.256 0.01 . 1006 127 127 LYS HD2 H 1.614 0.01 . 1007 127 127 LYS HZ H 2.885 0.01 . 1008 127 127 LYS C C 178.201 0.1 . 1009 127 127 LYS CA C 59.245 0.1 . 1010 127 127 LYS CB C 31.794 0.1 . 1011 127 127 LYS CD C 29.330 0.1 . 1012 127 127 LYS CE C 41.217 0.1 . 1013 127 127 LYS N N 116.655 0.1 . 1014 128 128 ARG H H 7.782 0.01 . 1015 128 128 ARG HA H 3.695 0.01 . 1016 128 128 ARG HB2 H 2.021 0.01 . 1017 128 128 ARG HB3 H 1.851 0.01 . 1018 128 128 ARG HG2 H 1.636 0.01 . 1019 128 128 ARG HG3 H 1.446 0.01 . 1020 128 128 ARG HD2 H 3.257 0.01 . 1021 128 128 ARG HD3 H 3.042 0.01 . 1022 128 128 ARG C C 178.331 0.1 . 1023 128 128 ARG CA C 59.047 0.1 . 1024 128 128 ARG CB C 29.330 0.1 . 1025 128 128 ARG CG C 26.358 0.1 . 1026 128 128 ARG N N 120.024 0.1 . 1027 129 129 ILE H H 8.006 0.01 . 1028 129 129 ILE HA H 3.538 0.01 . 1029 129 129 ILE HB H 1.374 0.01 . 1030 129 129 ILE HG12 H 1.814 0.01 . 1031 129 129 ILE HG13 H 0.742 0.01 . 1032 129 129 ILE HG2 H 0.742 0.01 . 1033 129 129 ILE HD1 H 0.480 0.01 . 1034 129 129 ILE C C 178.952 0.1 . 1035 129 129 ILE CA C 64.396 0.1 . 1036 129 129 ILE CB C 38.047 0.1 . 1037 129 129 ILE CG1 C 14.433 0.1 . 1038 129 129 ILE CG2 C 14.433 0.1 . 1039 129 129 ILE CD1 C 21.062 0.1 . 1040 129 129 ILE N N 116.569 0.1 . 1041 130 130 LEU H H 7.868 0.01 . 1042 130 130 LEU HA H 3.655 0.01 . 1043 130 130 LEU HB2 H 1.783 0.01 . 1044 130 130 LEU HB3 H 1.339 0.01 . 1045 130 130 LEU HG H 1.639 0.01 . 1046 130 130 LEU HD2 H 0.680 0.01 . 1047 130 130 LEU C C 175.796 0.1 . 1048 130 130 LEU CA C 56.456 0.1 . 1049 130 130 LEU CB C 43.372 0.1 . 1050 130 130 LEU CG C 37.198 0.1 . 1051 130 130 LEU CD2 C 25.376 0.1 . 1052 130 130 LEU N N 115.532 0.1 . 1053 131 131 THR H H 7.113 0.01 . 1054 131 131 THR HA H 4.382 0.01 . 1055 131 131 THR HB H 4.342 0.01 . 1056 131 131 THR HG2 H 1.271 0.01 . 1057 131 131 THR C C 176.046 0.1 . 1058 131 131 THR CA C 61.529 0.1 . 1059 131 131 THR CB C 69.151 0.1 . 1060 131 131 THR CG2 C 22.615 0.1 . 1061 131 131 THR N N 121.027 0.1 . 1062 132 132 GLN H H 7.325 0.01 . 1063 132 132 GLN HA H 4.490 0.01 . 1064 132 132 GLN HB2 H 2.133 0.01 . 1065 132 132 GLN HG2 H 3.087 0.01 . 1066 132 132 GLN HG3 H 2.414 0.01 . 1067 132 132 GLN HE21 H 7.475 0.01 . 1068 132 132 GLN HE22 H 6.918 0.01 . 1069 132 132 GLN CA C 54.292 0.1 . 1070 132 132 GLN CB C 29.949 0.1 . 1071 132 132 GLN N N 124.083 0.1 . 1072 132 132 GLN NE2 N 111.935 0.1 . 1073 133 133 PRO C C 176.952 0.1 . 1074 134 134 HIS H H 8.128 0.01 . 1075 134 134 HIS HA H 4.579 0.01 . 1076 134 134 HIS HB2 H 3.222 0.01 . 1077 134 134 HIS HB3 H 3.098 0.01 . 1078 134 134 HIS HD1 H 6.818 0.01 . 1079 134 134 HIS C C 176.666 0.1 . 1080 134 134 HIS CA C 58.239 0.1 . 1081 134 134 HIS CB C 29.726 0.1 . 1082 134 134 HIS N N 112.710 0.1 . 1083 135 135 PHE H H 7.191 0.01 . 1084 135 135 PHE HA H 3.852 0.01 . 1085 135 135 PHE HB2 H 3.387 0.01 . 1086 135 135 PHE HB3 H 2.684 0.01 . 1087 135 135 PHE HD1 H 7.209 0.01 . 1088 135 135 PHE HE1 H 7.062 0.01 . 1089 135 135 PHE HZ H 6.941 0.01 . 1090 135 135 PHE C C 177.461 0.1 . 1091 135 135 PHE CA C 61.202 0.1 . 1092 135 135 PHE CB C 40.004 0.1 . 1093 135 135 PHE N N 123.220 0.1 . 1094 136 136 MET H H 8.136 0.01 . 1095 136 136 MET HA H 4.295 0.01 . 1096 136 136 MET HB2 H 2.848 0.01 . 1097 136 136 MET HB3 H 2.722 0.01 . 1098 136 136 MET HG2 H 3.414 0.01 . 1099 136 136 MET HE H 2.244 0.01 . 1100 136 136 MET C C 178.908 0.1 . 1101 136 136 MET CA C 57.264 0.1 . 1102 136 136 MET CG C 29.294 0.1 . 1103 136 136 MET CE C 17.748 0.1 . 1104 136 136 MET N N 121.002 0.1 . 1105 137 137 ALA H H 8.091 0.01 . 1106 137 137 ALA HA H 4.234 0.01 . 1107 137 137 ALA HB H 1.571 0.01 . 1108 137 137 ALA C C 180.551 0.1 . 1109 137 137 ALA CA C 54.292 0.1 . 1110 137 137 ALA CB C 18.310 0.1 . 1111 137 137 ALA N N 121.698 0.1 . 1112 138 138 LEU H H 7.279 0.01 . 1113 138 138 LEU HA H 4.212 0.01 . 1114 138 138 LEU HB2 H 0.872 0.01 . 1115 138 138 LEU HG H 0.405 0.01 . 1116 138 138 LEU HD1 H 1.020 0.01 . 1117 138 138 LEU HD2 H 0.295 0.01 . 1118 138 138 LEU C C 178.258 0.1 . 1119 138 138 LEU CA C 57.529 0.1 . 1120 138 138 LEU CB C 38.748 0.1 . 1121 138 138 LEU CG C 26.502 0.1 . 1122 138 138 LEU CD1 C 21.987 0.1 . 1123 138 138 LEU N N 123.392 0.1 . 1124 139 139 LEU H H 7.569 0.01 . 1125 139 139 LEU HA H 3.726 0.01 . 1126 139 139 LEU HB2 H 2.299 0.01 . 1127 139 139 LEU HB3 H 1.671 0.01 . 1128 139 139 LEU HG H 0.866 0.01 . 1129 139 139 LEU HD1 H 0.579 0.01 . 1130 139 139 LEU HD2 H 0.584 0.01 . 1131 139 139 LEU C C 178.081 0.1 . 1132 139 139 LEU CA C 57.660 0.1 . 1133 139 139 LEU CB C 40.028 0.1 . 1134 139 139 LEU CG C 26.358 0.1 . 1135 139 139 LEU N N 117.778 0.1 . 1136 140 140 GLN H H 8.145 0.01 . 1137 140 140 GLN HA H 4.121 0.01 . 1138 140 140 GLN HB2 H 2.454 0.01 . 1139 140 140 GLN HG2 H 2.094 0.01 . 1140 140 140 GLN HE21 H 7.481 0.01 . 1141 140 140 GLN HE22 H 6.936 0.01 . 1142 140 140 GLN CA C 55.674 0.1 . 1143 140 140 GLN CB C 29.975 0.1 . 1144 140 140 GLN CG C 35.678 0.1 . 1145 140 140 GLN N N 117.135 0.1 . 1146 140 140 GLN NE2 N 109.354 0.1 . 1147 141 141 THR H H 7.902 0.01 . 1148 141 141 THR HA H 4.705 0.01 . 1149 141 141 THR HB H 3.810 0.01 . 1150 141 141 THR HG2 H 0.917 0.01 . 1151 141 141 THR CA C 57.822 0.1 . 1152 141 141 THR CB C 67.014 0.1 . 1153 141 141 THR CG2 C 18.433 0.1 . 1154 141 141 THR N N 120.762 0.1 . 1155 142 142 HIS H H 8.016 0.01 . 1156 142 142 HIS HA H 3.853 0.01 . 1157 142 142 HIS HD1 H 7.907 0.01 . 1158 142 142 HIS HE1 H 7.363 0.01 . 1159 142 142 HIS CA C 60.632 0.1 . 1160 142 142 HIS CD2 C 136.934 0.1 . 1161 142 142 HIS CE1 C 120.517 0.1 . 1162 142 142 HIS N N 117.998 0.1 . 1163 143 143 ASP H H 7.865 0.01 . 1164 143 143 ASP HA H 4.381 0.01 . 1165 143 143 ASP HB2 H 2.893 0.01 . 1166 143 143 ASP C C 178.007 0.1 . 1167 143 143 ASP CA C 57.462 0.1 . 1168 143 143 ASP CB C 39.434 0.1 . 1169 143 143 ASP N N 120.367 0.1 . 1170 144 144 VAL H H 8.039 0.01 . 1171 144 144 VAL HA H 3.841 0.01 . 1172 144 144 VAL HB H 1.983 0.01 . 1173 144 144 VAL HG1 H 0.921 0.01 . 1174 144 144 VAL HG2 H 0.754 0.01 . 1175 144 144 VAL C C 177.228 0.1 . 1176 144 144 VAL CA C 64.000 0.1 . 1177 144 144 VAL CB C 31.509 0.1 . 1178 144 144 VAL N N 118.171 0.1 . 1179 145 145 VAL H H 8.582 0.01 . 1180 145 145 VAL HA H 3.808 0.01 . 1181 145 145 VAL HB H 2.254 0.01 . 1182 145 145 VAL HG1 H 1.165 0.01 . 1183 145 145 VAL HG2 H 1.019 0.01 . 1184 145 145 VAL C C 177.580 0.1 . 1185 145 145 VAL CA C 59.994 0.1 . 1186 145 145 VAL CB C 35.196 0.1 . 1187 145 145 VAL CG1 C 72.916 0.1 . 1188 145 145 VAL N N 119.467 0.1 . 1189 146 146 ALA H H 8.434 0.01 . 1190 146 146 ALA HA H 3.839 0.01 . 1191 146 146 ALA HB H 1.181 0.01 . 1192 146 146 ALA C C 179.300 0.1 . 1193 146 146 ALA CA C 54.491 0.1 . 1194 146 146 ALA CB C 22.813 0.1 . 1195 146 146 ALA N N 119.851 0.1 . 1196 147 147 HIS H H 7.978 0.01 . 1197 147 147 HIS HA H 4.361 0.01 . 1198 147 147 HIS HB2 H 3.377 0.01 . 1199 147 147 HIS HD1 H 7.272 0.01 . 1200 147 147 HIS C C 177.120 0.1 . 1201 147 147 HIS CA C 58.255 0.1 . 1202 147 147 HIS CB C 28.933 0.1 . 1203 147 147 HIS N N 112.768 0.1 . 1204 148 148 GLU H H 7.915 0.01 . 1205 148 148 GLU HA H 4.396 0.01 . 1206 148 148 GLU HB2 H 2.295 0.01 . 1207 148 148 GLU HB3 H 2.079 0.01 . 1208 148 148 GLU HG2 H 2.405 0.01 . 1209 148 148 GLU C C 178.667 0.1 . 1210 148 148 GLU CA C 58.651 0.1 . 1211 148 148 GLU N N 117.528 0.1 . 1212 149 149 VAL H H 8.157 0.01 . 1213 149 149 VAL HA H 3.872 0.01 . 1214 149 149 VAL HB H 1.836 0.01 . 1215 149 149 VAL HG1 H 0.708 0.01 . 1216 149 149 VAL HG2 H 0.536 0.01 . 1217 149 149 VAL C C 176.748 0.1 . 1218 149 149 VAL CA C 64.000 0.1 . 1219 149 149 VAL CB C 31.311 0.1 . 1220 149 149 VAL N N 115.463 0.1 . 1221 150 150 TYR H H 7.698 0.01 . 1222 150 150 TYR HA H 4.538 0.01 . 1223 150 150 TYR HB2 H 3.043 0.01 . 1224 150 150 TYR HB3 H 2.927 0.01 . 1225 150 150 TYR HD1 H 6.963 0.01 . 1226 150 150 TYR HE1 H 6.449 0.01 . 1227 150 150 TYR C C 176.121 0.1 . 1228 150 150 TYR CA C 56.383 0.1 . 1229 150 150 TYR CD1 C 132.575 0.1 . 1230 150 150 TYR CE1 C 117.734 0.1 . 1231 150 150 TYR N N 117.700 0.1 . 1232 151 151 SER H H 7.865 0.01 . 1233 151 151 SER HA H 4.481 0.01 . 1234 151 151 SER HB2 H 3.929 0.01 . 1235 151 151 SER C C 174.550 0.1 . 1236 151 151 SER CA C 58.651 0.1 . 1237 151 151 SER CB C 66.774 0.1 . 1238 151 151 SER N N 122.058 0.1 . 1239 152 152 ASP H H 8.185 0.01 . 1240 152 152 ASP HA H 4.517 0.01 . 1241 152 152 ASP HB2 H 2.711 0.01 . 1242 152 152 ASP C C 177.294 0.1 . 1243 152 152 ASP CA C 54.491 0.1 . 1244 152 152 ASP CB C 40.523 0.1 . 1245 152 152 ASP N N 122.529 0.1 . 1246 153 153 GLU H H 8.469 0.01 . 1247 153 153 GLU HA H 4.060 0.01 . 1248 153 153 GLU HB2 H 2.044 0.01 . 1249 153 153 GLU HB3 H 1.975 0.01 . 1250 153 153 GLU HG2 H 2.290 0.01 . 1251 153 153 GLU C C 177.717 0.1 . 1252 153 153 GLU CA C 57.264 0.1 . 1253 153 153 GLU N N 122.183 0.1 . 1254 154 154 ALA H H 8.123 0.01 . 1255 154 154 ALA HA H 4.147 0.01 . 1256 154 154 ALA HB H 1.380 0.01 . 1257 154 154 ALA C C 178.505 0.1 . 1258 154 154 ALA CA C 52.906 0.1 . 1259 154 154 ALA CB C 19.186 0.1 . 1260 154 154 ALA N N 122.356 0.1 . 1261 155 155 LEU H H 7.784 0.01 . 1262 155 155 LEU HA H 4.278 0.01 . 1263 155 155 LEU HB2 H 1.720 0.01 . 1264 155 155 LEU HB3 H 1.626 0.01 . 1265 155 155 LEU HG H 0.867 0.01 . 1266 155 155 LEU CA C 54.689 0.1 . 1267 155 155 LEU CB C 41.613 0.1 . 1268 155 155 LEU CD1 C 24.411 0.1 . 1269 155 155 LEU CD2 C 22.526 0.1 . 1270 155 155 LEU N N 118.037 0.1 . 1271 156 156 ARG H H 7.854 0.01 . 1272 156 156 ARG HA H 4.309 0.01 . 1273 156 156 ARG HB2 H 1.792 0.01 . 1274 156 156 ARG HB3 H 1.606 0.01 . 1275 156 156 ARG HG2 H 1.649 0.01 . 1276 156 156 ARG HG3 H 1.578 0.01 . 1277 156 156 ARG HD2 H 3.166 0.01 . 1278 156 156 ARG C C 176.209 0.1 . 1279 156 156 ARG CA C 55.877 0.1 . 1280 156 156 ARG CB C 29.726 0.1 . 1281 156 156 ARG CG C 26.952 0.1 . 1282 156 156 ARG CD C 42.802 0.1 . 1283 156 156 ARG N N 120.456 0.1 . 1284 157 157 VAL H H 7.978 0.01 . 1285 157 157 VAL HA H 4.229 0.01 . 1286 157 157 VAL HB H 2.042 0.01 . 1287 157 157 VAL HG1 H 0.875 0.01 . 1288 157 157 VAL HG2 H 0.859 0.01 . 1289 157 157 VAL C C 175.197 0.1 . 1290 157 157 VAL CA C 61.710 0.1 . 1291 157 157 VAL CG1 C 22.961 0.1 . 1292 157 157 VAL CG2 C 21.546 0.1 . 1293 157 157 VAL N N 120.369 0.1 . 1294 158 158 THR H H 8.246 0.01 . 1295 158 158 THR HA H 4.488 0.01 . 1296 158 158 THR HB H 4.140 0.01 . 1297 158 158 THR HG2 H 1.199 0.01 . 1298 158 158 THR CA C 58.619 0.1 . 1299 158 158 THR CB C 69.816 0.1 . 1300 158 158 THR N N 121.146 0.1 . 1301 159 159 PRO HB3 H 2.009 0.01 . 1302 161 161 PRO C C 177.204 0.1 . 1303 161 161 PRO CA C 62.596 0.1 . 1304 161 161 PRO CB C 31.287 0.1 . 1305 162 162 THR H H 8.217 0.01 . 1306 162 162 THR HA H 4.376 0.01 . 1307 162 162 THR HB H 4.100 0.01 . 1308 162 162 THR HG2 H 1.294 0.01 . 1309 162 162 THR C C 173.554 0.1 . 1310 162 162 THR CA C 61.283 0.1 . 1311 162 162 THR CB C 69.805 0.1 . 1312 162 162 THR CG2 C 21.437 0.1 . 1313 162 162 THR N N 114.001 0.1 . 1314 163 163 SER H H 7.971 0.01 . 1315 163 163 SER HB2 H 4.336 0.01 . 1316 163 163 SER CA C 55.200 0.1 . 1317 163 163 SER CB C 63.659 0.1 . 1318 163 163 SER N N 116.815 0.1 . stop_ save_