data_19109 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments of the C-terminal Eps15 Homology Domain-3 EH Domain ; _BMRB_accession_number 19109 _BMRB_flat_file_name bmr19109.str _Entry_type original _Submission_date 2013-03-22 _Accession_date 2013-03-22 _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 Spagnol Gaelle . . 2 Reiling Calliste . . 3 Kieken Fabien . . 4 Caplan Steve . . 5 Sorgen Paul L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 639 "13C chemical shifts" 462 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-15 original author . stop_ _Original_release_date 2013-08-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Chemical shift assignments of the C-terminal Eps15 homology domain-3 EH domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23754701 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Spagnol Gaelle . . 2 Reiling Calliste . . 3 Kieken Fabien . . 4 Caplan Steve . . 5 Sorgen Paul L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . loop_ _Keyword EHD3 'EH domain' 'Endocytic recycling' NPF-motif stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EH domain of EHD3 in presence of Ca2+' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EHD3 EH' $EHD3_EH Calcium $entity_CA stop_ _System_molecular_weight 11932.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Protein-protein interaction module that facilitates binding to other endocytic regulators containing the asparagine-proline-phenylalanine (NPF) motif.' stop_ _Database_query_date . _Details 'EH domain of EHD3 in presence of Ca2+' save_ ######################## # Monomeric polymers # ######################## save_EHD3_EH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EHD3_EH _Molecular_mass 11932.7 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; GPLGSGIDDAEWVVARDKPM YDEIFYTLSPVDGKITGANA KKEMVRSKLPNSVLGKIWKL ADIDKDGMLDDDEFALANHL IKVKLEGHELPNELPAHLLP PSKRKVAE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 1 PRO 3 2 LEU 4 3 GLY 5 4 SER 6 5 GLY 7 6 ILE 8 7 ASP 9 8 ASP 10 9 ALA 11 10 GLU 12 11 TRP 13 12 VAL 14 13 VAL 15 14 ALA 16 15 ARG 17 16 ASP 18 17 LYS 19 18 PRO 20 19 MET 21 20 TYR 22 21 ASP 23 22 GLU 24 23 ILE 25 24 PHE 26 25 TYR 27 26 THR 28 27 LEU 29 28 SER 30 29 PRO 31 30 VAL 32 31 ASP 33 32 GLY 34 33 LYS 35 34 ILE 36 35 THR 37 36 GLY 38 37 ALA 39 38 ASN 40 39 ALA 41 40 LYS 42 41 LYS 43 42 GLU 44 43 MET 45 44 VAL 46 45 ARG 47 46 SER 48 47 LYS 49 48 LEU 50 49 PRO 51 50 ASN 52 51 SER 53 52 VAL 54 53 LEU 55 54 GLY 56 55 LYS 57 56 ILE 58 57 TRP 59 58 LYS 60 59 LEU 61 60 ALA 62 61 ASP 63 62 ILE 64 63 ASP 65 64 LYS 66 65 ASP 67 66 GLY 68 67 MET 69 68 LEU 70 69 ASP 71 70 ASP 72 71 ASP 73 72 GLU 74 73 PHE 75 74 ALA 76 75 LEU 77 76 ALA 78 77 ASN 79 78 HIS 80 79 LEU 81 80 ILE 82 81 LYS 83 82 VAL 84 83 LYS 85 84 LEU 86 85 GLU 87 86 GLY 88 87 HIS 89 88 GLU 90 89 LEU 91 90 PRO 92 91 ASN 93 92 GLU 94 93 LEU 95 94 PRO 96 95 ALA 97 96 HIS 98 97 LEU 99 98 LEU 100 99 PRO 101 100 PRO 102 101 SER 103 102 LYS 104 103 ARG 105 104 LYS 106 105 VAL 107 106 ALA 108 107 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAI45522 "EH-domain containing protein 3 [synthetic construct]" 97.22 535 99.05 99.05 3.77e-63 EMBL CAH90161 "hypothetical protein [Pongo abelii]" 97.22 535 97.14 99.05 8.89e-62 EMBL CAH90891 "hypothetical protein [Pongo abelii]" 97.22 535 98.10 99.05 1.08e-62 GB AAF32285 "EH domain containing protein 2 [Homo sapiens]" 97.22 535 99.05 99.05 3.77e-63 GB AAI56224 "EH-domain containing 3, partial [synthetic construct]" 97.22 535 99.05 99.05 3.77e-63 GB AAI56997 "EH-domain containing 3 [synthetic construct]" 97.22 535 99.05 99.05 3.77e-63 GB AAM14604 "EH-domain containing protein 2 [Rattus norvegicus]" 97.22 535 97.14 99.05 4.93e-62 GB EAX00480 "EH-domain containing 3, isoform CRA_a [Homo sapiens]" 97.22 535 99.05 99.05 3.77e-63 REF NP_001125048 "EH domain-containing protein 3 [Pongo abelii]" 97.22 535 97.14 99.05 8.89e-62 REF NP_001244659 "EH domain-containing protein 3 [Macaca mulatta]" 97.22 535 97.14 99.05 4.48e-62 REF NP_055415 "EH domain-containing protein 3 [Homo sapiens]" 97.22 535 99.05 99.05 3.77e-63 REF NP_620245 "EH domain-containing protein 3 [Rattus norvegicus]" 97.22 535 97.14 99.05 4.93e-62 REF XP_001918139 "PREDICTED: LOW QUALITY PROTEIN: EH domain-containing protein 3 [Equus caballus]" 97.22 535 97.14 98.10 4.25e-62 SP Q8R491 "RecName: Full=EH domain-containing protein 3" 97.22 535 97.14 99.05 4.93e-62 SP Q9NZN3 "RecName: Full=EH domain-containing protein 3; AltName: Full=PAST homolog 3" 97.22 535 99.05 99.05 3.77e-63 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CA (CALCIUM ION)" _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_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 $EHD3_EH Human 9606 Eukaryota Metazoa Homo sapiens EHD3 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 _Details $EHD3_EH 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pGEX-6p-2 'GST tag' 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 $EHD3_EH 1 mM '[U-98% 13C; U-98% 15N]' TRIS 20 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' $entity_CA 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2.01 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'fitted with a cryo-probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NH2_only_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 100 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 0.00 . indirect . . . 0.251449530 water H 1 protons ppm . internal direct . . . 1.000000000 water N 15 protons ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-15N HSQC NH2 only' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HN(CA)CO' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'EHD3 EH' _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 1 2 PRO HA H 4.450 0.05 1 2 1 2 PRO HB2 H 1.930 0.05 2 3 1 2 PRO HB3 H 2.300 0.05 2 4 1 2 PRO HG2 H 1.970 0.05 2 5 1 2 PRO HG3 H 2.000 0.05 2 6 1 2 PRO HD2 H 3.560 0.05 2 7 1 2 PRO HD3 H 3.560 0.05 2 8 1 2 PRO C C 177.064 0.3 1 9 1 2 PRO CA C 63.100 0.3 1 10 1 2 PRO CB C 32.020 0.3 1 11 1 2 PRO CG C 27.110 0.3 1 12 1 2 PRO CD C 49.400 0.3 1 13 2 3 LEU H H 8.570 0.05 1 14 2 3 LEU HA H 4.334 0.05 1 15 2 3 LEU HB2 H 1.591 0.05 2 16 2 3 LEU HB3 H 1.690 0.05 2 17 2 3 LEU HG H 1.628 0.05 1 18 2 3 LEU HD1 H 0.919 0.05 2 19 2 3 LEU HD2 H 0.875 0.05 2 20 2 3 LEU C C 177.946 0.3 1 21 2 3 LEU CA C 55.491 0.3 1 22 2 3 LEU CB C 42.309 0.3 1 23 2 3 LEU CG C 26.602 0.3 1 24 2 3 LEU CD1 C 25.190 0.3 1 25 2 3 LEU CD2 C 23.700 0.3 1 26 2 3 LEU N N 122.176 0.3 1 27 3 4 GLY H H 8.409 0.05 1 28 3 4 GLY HA2 H 3.970 0.05 2 29 3 4 GLY HA3 H 3.950 0.05 2 30 3 4 GLY C C 174.200 0.3 1 31 3 4 GLY CA C 45.445 0.3 1 32 3 4 GLY N N 109.906 0.3 1 33 4 5 SER H H 8.294 0.05 1 34 4 5 SER HA H 4.431 0.05 1 35 4 5 SER HB2 H 3.855 0.05 2 36 4 5 SER HB3 H 3.894 0.05 2 37 4 5 SER C C 175.128 0.3 1 38 4 5 SER CA C 58.590 0.3 1 39 4 5 SER CB C 64.110 0.3 1 40 4 5 SER N N 115.693 0.3 1 41 5 6 GLY H H 8.586 0.05 1 42 5 6 GLY HA2 H 3.958 0.05 2 43 5 6 GLY HA3 H 3.958 0.05 2 44 5 6 GLY C C 174.146 0.3 1 45 5 6 GLY CA C 45.468 0.3 1 46 5 6 GLY N N 111.305 0.3 1 47 6 7 ILE H H 7.946 0.05 1 48 6 7 ILE HA H 4.131 0.05 1 49 6 7 ILE HB H 1.792 0.05 1 50 6 7 ILE HG12 H 1.093 0.05 1 51 6 7 ILE HG13 H 1.380 0.05 1 52 6 7 ILE HG2 H 0.859 0.05 1 53 6 7 ILE HD1 H 0.813 0.05 1 54 6 7 ILE C C 175.924 0.3 1 55 6 7 ILE CA C 61.156 0.3 1 56 6 7 ILE CB C 38.808 0.3 1 57 6 7 ILE CG1 C 27.602 0.3 1 58 6 7 ILE CG2 C 17.318 0.3 1 59 6 7 ILE CD1 C 13.076 0.3 1 60 6 7 ILE N N 119.714 0.3 1 61 7 8 ASP H H 8.415 0.05 1 62 7 8 ASP HA H 4.584 0.05 1 63 7 8 ASP HB2 H 2.582 0.05 2 64 7 8 ASP HB3 H 2.702 0.05 2 65 7 8 ASP C C 176.030 0.3 1 66 7 8 ASP CA C 54.318 0.3 1 67 7 8 ASP CB C 41.220 0.3 1 68 7 8 ASP N N 123.838 0.3 1 69 8 9 ASP H H 8.198 0.05 1 70 8 9 ASP HA H 4.523 0.05 1 71 8 9 ASP HB2 H 2.635 0.05 2 72 8 9 ASP HB3 H 2.635 0.05 2 73 8 9 ASP C C 176.004 0.3 1 74 8 9 ASP CA C 54.600 0.3 1 75 8 9 ASP CB C 41.316 0.3 1 76 8 9 ASP N N 121.497 0.3 1 77 9 10 ALA H H 8.142 0.05 1 78 9 10 ALA HA H 4.279 0.05 1 79 9 10 ALA HB H 1.376 0.05 1 80 9 10 ALA C C 177.754 0.3 1 81 9 10 ALA CA C 52.426 0.3 1 82 9 10 ALA CB C 19.346 0.3 1 83 9 10 ALA N N 123.176 0.3 1 84 10 11 GLU H H 8.262 0.05 1 85 10 11 GLU HA H 4.240 0.05 1 86 10 11 GLU HB2 H 2.018 0.05 2 87 10 11 GLU HB3 H 2.018 0.05 2 88 10 11 GLU HG2 H 2.220 0.05 2 89 10 11 GLU HG3 H 2.275 0.05 2 90 10 11 GLU C C 176.269 0.3 1 91 10 11 GLU CA C 56.729 0.3 1 92 10 11 GLU CB C 30.534 0.3 1 93 10 11 GLU CG C 35.749 0.3 1 94 10 11 GLU N N 120.454 0.3 1 95 11 12 TRP H H 8.733 0.05 1 96 11 12 TRP HA H 5.188 0.05 1 97 11 12 TRP HB2 H 2.904 0.05 2 98 11 12 TRP HB3 H 3.477 0.05 2 99 11 12 TRP HD1 H 7.510 0.05 1 100 11 12 TRP HE1 H 9.654 0.05 1 101 11 12 TRP HE3 H 7.660 0.05 1 102 11 12 TRP HZ2 H 7.210 0.05 1 103 11 12 TRP HZ3 H 7.150 0.05 1 104 11 12 TRP HH2 H 7.410 0.05 1 105 11 12 TRP C C 178.494 0.3 1 106 11 12 TRP CA C 55.502 0.3 1 107 11 12 TRP CB C 29.312 0.3 1 108 11 12 TRP CD1 C 131.830 0.3 1 109 11 12 TRP N N 124.345 0.3 1 110 11 12 TRP NE1 N 122.437 0.3 1 111 12 13 VAL H H 9.290 0.05 1 112 12 13 VAL HA H 3.870 0.05 1 113 12 13 VAL HB H 2.130 0.05 1 114 12 13 VAL HG1 H 0.820 0.05 2 115 12 13 VAL HG2 H 0.760 0.05 2 116 12 13 VAL CA C 64.400 0.3 1 117 12 13 VAL CB C 31.800 0.3 1 118 12 13 VAL CG1 C 20.220 0.3 1 119 12 13 VAL CG2 C 20.640 0.3 1 120 12 13 VAL N N 129.013 0.3 1 121 13 14 VAL HA H 3.051 0.05 1 122 13 14 VAL HB H -1.218 0.05 1 123 13 14 VAL HG1 H -0.195 0.05 2 124 13 14 VAL HG2 H 0.555 0.05 2 125 13 14 VAL C C 175.845 0.3 1 126 13 14 VAL CA C 61.700 0.3 1 127 13 14 VAL CB C 30.509 0.3 1 128 13 14 VAL CG1 C 22.695 0.3 1 129 13 14 VAL CG2 C 23.938 0.3 1 130 14 15 ALA H H 7.198 0.05 1 131 14 15 ALA HA H 3.790 0.05 1 132 14 15 ALA HB H 1.700 0.05 1 133 14 15 ALA C C 179.770 0.3 1 134 14 15 ALA CA C 55.600 0.3 1 135 14 15 ALA CB C 18.800 0.3 1 136 14 15 ALA N N 119.400 0.3 1 137 15 16 ARG H H 7.618 0.05 1 138 15 16 ARG HA H 3.990 0.05 1 139 15 16 ARG HB2 H 1.740 0.05 2 140 15 16 ARG HB3 H 1.800 0.05 2 141 15 16 ARG HG2 H 1.600 0.05 2 142 15 16 ARG HG3 H 1.600 0.05 2 143 15 16 ARG HD2 H 3.170 0.05 2 144 15 16 ARG HD3 H 3.170 0.05 2 145 15 16 ARG C C 176.799 0.3 1 146 15 16 ARG CA C 58.600 0.3 1 147 15 16 ARG CB C 29.800 0.3 1 148 15 16 ARG CG C 26.500 0.3 1 149 15 16 ARG CD C 43.600 0.3 1 150 15 16 ARG N N 114.827 0.3 1 151 16 17 ASP H H 7.225 0.05 1 152 16 17 ASP HA H 4.720 0.05 1 153 16 17 ASP HB2 H 2.290 0.05 2 154 16 17 ASP HB3 H 2.290 0.05 2 155 16 17 ASP C C 175.049 0.3 1 156 16 17 ASP CA C 54.300 0.3 1 157 16 17 ASP CB C 43.000 0.3 1 158 16 17 ASP N N 116.220 0.3 1 159 17 18 LYS H H 7.503 0.05 1 160 17 18 LYS HA H 4.028 0.05 1 161 17 18 LYS HB2 H 1.578 0.05 2 162 17 18 LYS HB3 H 2.168 0.05 2 163 17 18 LYS HG2 H 1.510 0.05 2 164 17 18 LYS HG3 H 1.790 0.05 2 165 17 18 LYS HD2 H 1.910 0.05 2 166 17 18 LYS HD3 H 1.910 0.05 2 167 17 18 LYS HE2 H 2.920 0.05 2 168 17 18 LYS HE3 H 3.730 0.05 2 169 17 18 LYS C C 172.813 0.3 1 170 17 18 LYS CA C 61.440 0.3 1 171 17 18 LYS CB C 31.480 0.3 1 172 17 18 LYS CG C 26.380 0.3 1 173 17 18 LYS CD C 30.840 0.3 1 174 17 18 LYS CE C 41.470 0.3 1 175 17 18 LYS N N 120.820 0.3 1 176 18 19 PRO HA H 4.401 0.05 1 177 18 19 PRO HB2 H 1.782 0.05 2 178 18 19 PRO HB3 H 2.383 0.05 2 179 18 19 PRO HG2 H 1.984 0.05 2 180 18 19 PRO HG3 H 2.107 0.05 2 181 18 19 PRO HD2 H 3.340 0.05 2 182 18 19 PRO HD3 H 3.760 0.05 2 183 18 19 PRO C C 179.451 0.3 1 184 18 19 PRO CA C 66.970 0.3 1 185 18 19 PRO CB C 30.840 0.3 1 186 18 19 PRO CG C 28.720 0.3 1 187 18 19 PRO CD C 49.970 0.3 1 188 19 20 MET H H 7.304 0.05 1 189 19 20 MET HA H 4.251 0.05 1 190 19 20 MET HB2 H 2.459 0.05 2 191 19 20 MET HB3 H 2.459 0.05 2 192 19 20 MET HG2 H 1.954 0.05 2 193 19 20 MET HG3 H 1.954 0.05 2 194 19 20 MET HE H 1.989 0.05 1 195 19 20 MET C C 178.762 0.3 1 196 19 20 MET CA C 58.529 0.3 1 197 19 20 MET CB C 31.803 0.3 1 198 19 20 MET CG C 32.177 0.3 1 199 19 20 MET CE C 16.820 0.3 1 200 19 20 MET N N 115.065 0.3 1 201 20 21 TYR H H 7.216 0.05 1 202 20 21 TYR HA H 4.779 0.05 1 203 20 21 TYR HB2 H 3.176 0.05 2 204 20 21 TYR HB3 H 3.263 0.05 2 205 20 21 TYR HD1 H 6.765 0.05 3 206 20 21 TYR HD2 H 6.765 0.05 3 207 20 21 TYR HE1 H 6.765 0.05 3 208 20 21 TYR HE2 H 6.765 0.05 3 209 20 21 TYR C C 179.119 0.3 1 210 20 21 TYR CA C 58.045 0.3 1 211 20 21 TYR CB C 36.265 0.3 1 212 20 21 TYR N N 122.087 0.3 1 213 21 22 ASP H H 9.616 0.05 1 214 21 22 ASP HA H 4.510 0.05 1 215 21 22 ASP HB2 H 2.779 0.05 2 216 21 22 ASP HB3 H 2.909 0.05 2 217 21 22 ASP C C 177.542 0.3 1 218 21 22 ASP CA C 56.764 0.3 1 219 21 22 ASP CB C 39.916 0.3 1 220 21 22 ASP N N 122.518 0.3 1 221 22 23 GLU H H 7.352 0.05 1 222 22 23 GLU HA H 4.134 0.05 1 223 22 23 GLU HB2 H 2.217 0.05 2 224 22 23 GLU HB3 H 2.226 0.05 2 225 22 23 GLU HG2 H 2.353 0.05 2 226 22 23 GLU HG3 H 2.557 0.05 2 227 22 23 GLU C C 179.319 0.3 1 228 22 23 GLU CA C 59.515 0.3 1 229 22 23 GLU CB C 29.823 0.3 1 230 22 23 GLU CG C 36.374 0.3 1 231 22 23 GLU N N 116.344 0.3 1 232 23 24 ILE H H 7.237 0.05 1 233 23 24 ILE HA H 3.910 0.05 1 234 23 24 ILE HB H 2.405 0.05 1 235 23 24 ILE HG12 H 1.330 0.05 1 236 23 24 ILE HG13 H 1.953 0.05 1 237 23 24 ILE HG2 H 1.111 0.05 1 238 23 24 ILE HD1 H 1.058 0.05 1 239 23 24 ILE C C 179.263 0.3 1 240 23 24 ILE CA C 63.768 0.3 1 241 23 24 ILE CB C 38.951 0.3 1 242 23 24 ILE CG1 C 28.000 0.3 1 243 23 24 ILE CG2 C 18.094 0.3 1 244 23 24 ILE CD1 C 12.784 0.3 1 245 23 24 ILE N N 117.017 0.3 1 246 24 25 PHE H H 9.119 0.05 1 247 24 25 PHE HA H 3.070 0.05 1 248 24 25 PHE HB2 H 3.140 0.05 2 249 24 25 PHE HB3 H 3.210 0.05 2 250 24 25 PHE HE1 H 6.832 0.05 3 251 24 25 PHE HE2 H 6.832 0.05 3 252 24 25 PHE HZ H 7.240 0.05 1 253 24 25 PHE C C 176.640 0.3 1 254 24 25 PHE CA C 62.764 0.3 1 255 24 25 PHE CB C 39.662 0.3 1 256 24 25 PHE N N 125.495 0.3 1 257 25 26 TYR H H 7.972 0.05 1 258 25 26 TYR HA H 3.982 0.05 1 259 25 26 TYR HB2 H 2.906 0.05 2 260 25 26 TYR HB3 H 3.385 0.05 2 261 25 26 TYR HD1 H 7.402 0.05 3 262 25 26 TYR HD2 H 7.402 0.05 3 263 25 26 TYR HE1 H 6.872 0.05 3 264 25 26 TYR HE2 H 6.872 0.05 3 265 25 26 TYR C C 177.303 0.3 1 266 25 26 TYR CA C 61.636 0.3 1 267 25 26 TYR CB C 37.383 0.3 1 268 25 26 TYR N N 110.800 0.3 1 269 26 27 THR H H 8.099 0.05 1 270 26 27 THR HA H 4.623 0.05 1 271 26 27 THR HB H 4.489 0.05 1 272 26 27 THR HG2 H 1.465 0.05 1 273 26 27 THR C C 175.444 0.3 1 274 26 27 THR CA C 62.989 0.3 1 275 26 27 THR CB C 69.941 0.3 1 276 26 27 THR CG2 C 21.497 0.3 1 277 26 27 THR N N 110.700 0.3 1 278 27 28 LEU H H 7.362 0.05 1 279 27 28 LEU HA H 4.454 0.05 1 280 27 28 LEU HB2 H 1.295 0.05 2 281 27 28 LEU HB3 H 1.517 0.05 2 282 27 28 LEU HG H 1.626 0.05 1 283 27 28 LEU HD1 H 0.494 0.05 2 284 27 28 LEU HD2 H 0.683 0.05 2 285 27 28 LEU C C 173.908 0.3 1 286 27 28 LEU CA C 54.222 0.3 1 287 27 28 LEU CB C 40.032 0.3 1 288 27 28 LEU CG C 25.803 0.3 1 289 27 28 LEU CD1 C 27.062 0.3 1 290 27 28 LEU CD2 C 22.073 0.3 1 291 27 28 LEU N N 123.579 0.3 1 292 28 29 SER H H 7.851 0.05 1 293 28 29 SER HA H 3.940 0.05 1 294 28 29 SER HB2 H 3.926 0.05 2 295 28 29 SER HB3 H 3.926 0.05 2 296 28 29 SER C C 174.001 0.3 1 297 28 29 SER CA C 61.528 0.3 1 298 28 29 SER CB C 57.549 0.3 1 299 28 29 SER N N 109.687 0.3 1 300 29 30 PRO HA H 4.186 0.05 1 301 29 30 PRO HB2 H 1.210 0.05 2 302 29 30 PRO HB3 H 1.554 0.05 2 303 29 30 PRO HG2 H 1.298 0.05 2 304 29 30 PRO HG3 H 1.896 0.05 2 305 29 30 PRO HD2 H 3.125 0.05 2 306 29 30 PRO HD3 H 3.450 0.05 2 307 29 30 PRO C C 177.356 0.3 1 308 29 30 PRO CA C 62.985 0.3 1 309 29 30 PRO CB C 31.270 0.3 1 310 29 30 PRO CG C 27.670 0.3 1 311 29 30 PRO CD C 50.400 0.3 1 312 30 31 VAL H H 8.759 0.05 1 313 30 31 VAL HA H 4.143 0.05 1 314 30 31 VAL HB H 1.893 0.05 1 315 30 31 VAL HG1 H 0.905 0.05 2 316 30 31 VAL HG2 H 0.947 0.05 2 317 30 31 VAL C C 176.667 0.3 1 318 30 31 VAL CA C 61.924 0.3 1 319 30 31 VAL CB C 34.428 0.3 1 320 30 31 VAL CG1 C 20.811 0.3 1 321 30 31 VAL CG2 C 21.200 0.3 1 322 30 31 VAL N N 122.376 0.3 1 323 31 32 ASP H H 9.523 0.05 1 324 31 32 ASP HA H 4.311 0.05 1 325 31 32 ASP HB2 H 2.638 0.05 2 326 31 32 ASP HB3 H 3.002 0.05 2 327 31 32 ASP C C 176.189 0.3 1 328 31 32 ASP CA C 55.497 0.3 1 329 31 32 ASP CB C 39.869 0.3 1 330 31 32 ASP N N 129.106 0.3 1 331 32 33 GLY H H 8.763 0.05 1 332 32 33 GLY HA2 H 3.740 0.05 2 333 32 33 GLY HA3 H 4.231 0.05 2 334 32 33 GLY C C 174.200 0.3 1 335 32 33 GLY CA C 45.522 0.3 1 336 32 33 GLY N N 101.596 0.3 1 337 33 34 LYS H H 7.553 0.05 1 338 33 34 LYS HA H 5.324 0.05 1 339 33 34 LYS HB2 H 1.660 0.05 2 340 33 34 LYS HB3 H 1.672 0.05 2 341 33 34 LYS HG2 H 1.390 0.05 2 342 33 34 LYS HG3 H 1.419 0.05 2 343 33 34 LYS HD2 H 1.817 0.05 2 344 33 34 LYS HD3 H 1.817 0.05 2 345 33 34 LYS HE2 H 3.079 0.05 2 346 33 34 LYS HE3 H 3.112 0.05 2 347 33 34 LYS C C 175.790 0.3 1 348 33 34 LYS CA C 55.346 0.3 1 349 33 34 LYS CB C 37.805 0.3 1 350 33 34 LYS CG C 25.177 0.3 1 351 33 34 LYS CD C 29.698 0.3 1 352 33 34 LYS CE C 42.266 0.3 1 353 33 34 LYS N N 116.882 0.3 1 354 34 35 ILE H H 9.131 0.05 1 355 34 35 ILE HA H 4.896 0.05 1 356 34 35 ILE HB H 1.738 0.05 1 357 34 35 ILE HG12 H 1.427 0.05 1 358 34 35 ILE HG13 H 1.427 0.05 1 359 34 35 ILE HG2 H 0.400 0.05 1 360 34 35 ILE HD1 H -0.068 0.05 1 361 34 35 ILE C C 176.083 0.3 1 362 34 35 ILE CA C 58.676 0.3 1 363 34 35 ILE CB C 41.001 0.3 1 364 34 35 ILE CG1 C 25.105 0.3 1 365 34 35 ILE CG2 C 15.533 0.3 1 366 34 35 ILE CD1 C 17.100 0.3 1 367 34 35 ILE N N 115.776 0.3 1 368 35 36 THR H H 8.465 0.05 1 369 35 36 THR HA H 4.403 0.05 1 370 35 36 THR HB H 4.701 0.05 1 371 35 36 THR HG2 H 1.380 0.05 1 372 35 36 THR C C 175.712 0.3 1 373 35 36 THR CA C 60.938 0.3 1 374 35 36 THR CB C 70.673 0.3 1 375 35 36 THR CG2 C 22.595 0.3 1 376 35 36 THR N N 111.460 0.3 1 377 36 37 GLY H H 8.802 0.05 1 378 36 37 GLY HA2 H 3.724 0.05 2 379 36 37 GLY HA3 H 3.859 0.05 2 380 36 37 GLY C C 176.136 0.3 1 381 36 37 GLY CA C 48.589 0.3 1 382 36 37 GLY N N 108.902 0.3 1 383 37 38 ALA H H 8.411 0.05 1 384 37 38 ALA HA H 3.949 0.05 1 385 37 38 ALA HB H 1.314 0.05 1 386 37 38 ALA C C 180.671 0.3 1 387 37 38 ALA CA C 54.826 0.3 1 388 37 38 ALA CB C 18.352 0.3 1 389 37 38 ALA N N 121.467 0.3 1 390 38 39 ASN H H 7.713 0.05 1 391 38 39 ASN HA H 4.611 0.05 1 392 38 39 ASN HB2 H 2.457 0.05 2 393 38 39 ASN HB3 H 2.859 0.05 2 394 38 39 ASN HD21 H 8.040 0.05 2 395 38 39 ASN HD22 H 7.082 0.05 2 396 38 39 ASN C C 177.595 0.3 1 397 38 39 ASN CA C 55.463 0.3 1 398 38 39 ASN CB C 37.414 0.3 1 399 38 39 ASN N N 116.819 0.3 1 400 38 39 ASN ND2 N 114.283 0.3 1 401 39 40 ALA H H 8.813 0.05 1 402 39 40 ALA HA H 4.057 0.05 1 403 39 40 ALA HB H 1.777 0.05 1 404 39 40 ALA C C 179.876 0.3 1 405 39 40 ALA CA C 55.913 0.3 1 406 39 40 ALA CB C 19.480 0.3 1 407 39 40 ALA N N 122.036 0.3 1 408 40 41 LYS H H 8.855 0.05 1 409 40 41 LYS HA H 3.946 0.05 1 410 40 41 LYS HB2 H 1.694 0.05 2 411 40 41 LYS HB3 H 1.785 0.05 2 412 40 41 LYS HG2 H 1.240 0.05 2 413 40 41 LYS HG3 H 1.280 0.05 2 414 40 41 LYS HD2 H 1.146 0.05 2 415 40 41 LYS HD3 H 1.290 0.05 2 416 40 41 LYS HE2 H 1.748 0.05 2 417 40 41 LYS HE3 H 2.010 0.05 2 418 40 41 LYS HZ H 8.402 0.05 1 419 40 41 LYS C C 178.284 0.3 1 420 40 41 LYS CA C 60.427 0.3 1 421 40 41 LYS CB C 32.357 0.3 1 422 40 41 LYS CG C 26.743 0.3 1 423 40 41 LYS CD C 29.485 0.3 1 424 40 41 LYS CE C 41.344 0.3 1 425 40 41 LYS N N 117.385 0.3 1 426 41 42 LYS H H 7.447 0.05 1 427 41 42 LYS HA H 3.998 0.05 1 428 41 42 LYS HB2 H 1.977 0.05 2 429 41 42 LYS HB3 H 1.977 0.05 2 430 41 42 LYS HG2 H 1.460 0.05 2 431 41 42 LYS HG3 H 1.580 0.05 2 432 41 42 LYS HD2 H 1.810 0.05 2 433 41 42 LYS HD3 H 1.810 0.05 2 434 41 42 LYS HE2 H 3.161 0.05 2 435 41 42 LYS HE3 H 3.161 0.05 2 436 41 42 LYS C C 178.338 0.3 1 437 41 42 LYS CA C 59.579 0.3 1 438 41 42 LYS CB C 32.327 0.3 1 439 41 42 LYS CG C 24.900 0.3 1 440 41 42 LYS CD C 29.800 0.3 1 441 41 42 LYS CE C 43.400 0.3 1 442 41 42 LYS N N 118.394 0.3 1 443 42 43 GLU H H 7.199 0.05 1 444 42 43 GLU HA H 4.361 0.05 1 445 42 43 GLU HB2 H 2.220 0.05 2 446 42 43 GLU HB3 H 2.220 0.05 2 447 42 43 GLU HG2 H 2.331 0.05 2 448 42 43 GLU HG3 H 2.465 0.05 2 449 42 43 GLU C C 179.504 0.3 1 450 42 43 GLU CA C 57.780 0.3 1 451 42 43 GLU CB C 29.309 0.3 1 452 42 43 GLU CG C 35.713 0.3 1 453 42 43 GLU N N 117.511 0.3 1 454 43 44 MET H H 8.386 0.05 1 455 43 44 MET HA H 4.007 0.05 1 456 43 44 MET HB2 H 2.201 0.05 2 457 43 44 MET HB3 H 2.201 0.05 2 458 43 44 MET HG2 H 2.324 0.05 2 459 43 44 MET HG3 H 2.951 0.05 2 460 43 44 MET HE H 2.100 0.05 1 461 43 44 MET C C 178.709 0.3 1 462 43 44 MET CA C 59.767 0.3 1 463 43 44 MET CB C 34.311 0.3 1 464 43 44 MET CG C 31.900 0.3 1 465 43 44 MET CE C 17.240 0.3 1 466 43 44 MET N N 118.933 0.3 1 467 44 45 VAL H H 8.303 0.05 1 468 44 45 VAL HA H 3.905 0.05 1 469 44 45 VAL HB H 2.290 0.05 1 470 44 45 VAL HG1 H 1.069 0.05 2 471 44 45 VAL HG2 H 1.009 0.05 2 472 44 45 VAL C C 178.497 0.3 1 473 44 45 VAL CA C 64.910 0.3 1 474 44 45 VAL CB C 31.782 0.3 1 475 44 45 VAL CG1 C 21.800 0.3 1 476 44 45 VAL CG2 C 20.800 0.3 1 477 44 45 VAL N N 117.700 0.3 1 478 45 46 ARG H H 7.520 0.05 1 479 45 46 ARG HA H 4.121 0.05 1 480 45 46 ARG HB2 H 1.990 0.05 2 481 45 46 ARG HB3 H 1.990 0.05 2 482 45 46 ARG HG2 H 1.715 0.05 2 483 45 46 ARG HG3 H 1.965 0.05 2 484 45 46 ARG HD2 H 3.321 0.05 2 485 45 46 ARG HD3 H 3.321 0.05 2 486 45 46 ARG C C 176.958 0.3 1 487 45 46 ARG CA C 58.681 0.3 1 488 45 46 ARG CB C 29.895 0.3 1 489 45 46 ARG CG C 28.290 0.3 1 490 45 46 ARG CD C 43.596 0.3 1 491 45 46 ARG N N 121.259 0.3 1 492 46 47 SER H H 7.594 0.05 1 493 46 47 SER HA H 4.080 0.05 1 494 46 47 SER HB2 H 3.850 0.05 2 495 46 47 SER HB3 H 4.200 0.05 2 496 46 47 SER C C 174.651 0.3 1 497 46 47 SER CA C 60.852 0.3 1 498 46 47 SER CB C 65.667 0.3 1 499 46 47 SER N N 112.809 0.3 1 500 47 48 LYS H H 7.866 0.05 1 501 47 48 LYS HA H 3.938 0.05 1 502 47 48 LYS HB2 H 2.049 0.05 2 503 47 48 LYS HB3 H 2.214 0.05 2 504 47 48 LYS HG2 H 1.365 0.05 2 505 47 48 LYS HG3 H 1.461 0.05 2 506 47 48 LYS HD2 H 1.652 0.05 2 507 47 48 LYS HD3 H 1.736 0.05 2 508 47 48 LYS HE2 H 3.028 0.05 2 509 47 48 LYS HE3 H 3.028 0.05 2 510 47 48 LYS C C 175.953 0.3 1 511 47 48 LYS CA C 58.138 0.3 1 512 47 48 LYS CB C 29.344 0.3 1 513 47 48 LYS CG C 24.883 0.3 1 514 47 48 LYS CD C 29.493 0.3 1 515 47 48 LYS CE C 42.210 0.3 1 516 47 48 LYS N N 112.744 0.3 1 517 48 49 LEU H H 7.506 0.05 1 518 48 49 LEU HA H 4.484 0.05 1 519 48 49 LEU HB2 H 1.096 0.05 2 520 48 49 LEU HB3 H 1.570 0.05 2 521 48 49 LEU HG H 1.590 0.05 1 522 48 49 LEU HD1 H 0.890 0.05 2 523 48 49 LEU HD2 H 0.930 0.05 2 524 48 49 LEU C C 173.610 0.3 1 525 48 49 LEU CA C 53.587 0.3 1 526 48 49 LEU CB C 41.762 0.3 1 527 48 49 LEU CG C 27.600 0.3 1 528 48 49 LEU CD1 C 26.500 0.3 1 529 48 49 LEU CD2 C 23.900 0.3 1 530 48 49 LEU N N 120.765 0.3 1 531 49 50 PRO HA H 4.512 0.05 1 532 49 50 PRO HB2 H 1.917 0.05 2 533 49 50 PRO HB3 H 2.535 0.05 2 534 49 50 PRO HG2 H 2.090 0.05 2 535 49 50 PRO HG3 H 2.150 0.05 2 536 49 50 PRO HD2 H 3.350 0.05 2 537 49 50 PRO HD3 H 3.980 0.05 2 538 49 50 PRO CA C 62.480 0.3 1 539 49 50 PRO CB C 32.750 0.3 1 540 49 50 PRO CG C 27.700 0.3 1 541 49 50 PRO CD C 50.400 0.3 1 542 50 51 ASN HA H 4.310 0.05 1 543 50 51 ASN HB2 H 2.770 0.05 2 544 50 51 ASN HB3 H 2.840 0.05 2 545 50 51 ASN CA C 57.000 0.3 1 546 50 51 ASN CB C 37.900 0.3 1 547 51 52 SER HA H 4.180 0.05 1 548 51 52 SER HB2 H 4.000 0.05 2 549 51 52 SER HB3 H 4.000 0.05 2 550 51 52 SER C C 177.197 0.3 1 551 51 52 SER CA C 60.500 0.3 1 552 51 52 SER CB C 61.000 0.3 1 553 52 53 VAL H H 6.977 0.05 1 554 52 53 VAL HA H 3.755 0.05 1 555 52 53 VAL HB H 2.180 0.05 1 556 52 53 VAL HG1 H 1.001 0.05 2 557 52 53 VAL HG2 H 1.114 0.05 2 558 52 53 VAL C C 177.754 0.3 1 559 52 53 VAL CA C 65.481 0.3 1 560 52 53 VAL CB C 31.863 0.3 1 561 52 53 VAL CG1 C 22.691 0.3 1 562 52 53 VAL CG2 C 22.699 0.3 1 563 52 53 VAL N N 124.596 0.3 1 564 53 54 LEU H H 8.136 0.05 1 565 53 54 LEU HA H 3.935 0.05 1 566 53 54 LEU HB2 H 1.401 0.05 2 567 53 54 LEU HB3 H 1.906 0.05 2 568 53 54 LEU HG H 1.582 0.05 1 569 53 54 LEU HD1 H 0.826 0.05 2 570 53 54 LEU HD2 H 0.774 0.05 2 571 53 54 LEU C C 179.904 0.3 1 572 53 54 LEU CA C 58.030 0.3 1 573 53 54 LEU CB C 40.994 0.3 1 574 53 54 LEU CG C 26.660 0.3 1 575 53 54 LEU CD1 C 26.435 0.3 1 576 53 54 LEU CD2 C 23.294 0.3 1 577 53 54 LEU N N 119.372 0.3 1 578 54 55 GLY H H 8.584 0.05 1 579 54 55 GLY HA2 H 3.982 0.05 2 580 54 55 GLY HA3 H 3.982 0.05 2 581 54 55 GLY C C 176.348 0.3 1 582 54 55 GLY CA C 47.208 0.3 1 583 54 55 GLY N N 107.289 0.3 1 584 55 56 LYS H H 7.332 0.05 1 585 55 56 LYS HA H 4.156 0.05 1 586 55 56 LYS HB2 H 2.008 0.05 2 587 55 56 LYS HB3 H 2.008 0.05 2 588 55 56 LYS HG2 H 1.442 0.05 2 589 55 56 LYS HG3 H 1.590 0.05 2 590 55 56 LYS HD2 H 1.714 0.05 2 591 55 56 LYS HD3 H 1.714 0.05 2 592 55 56 LYS HE2 H 2.956 0.05 2 593 55 56 LYS HE3 H 2.956 0.05 2 594 55 56 LYS C C 178.709 0.3 1 595 55 56 LYS CA C 59.258 0.3 1 596 55 56 LYS CB C 32.398 0.3 1 597 55 56 LYS CG C 25.300 0.3 1 598 55 56 LYS CD C 29.504 0.3 1 599 55 56 LYS CE C 42.195 0.3 1 600 55 56 LYS N N 124.000 0.3 1 601 56 57 ILE H H 8.159 0.05 1 602 56 57 ILE HA H 3.459 0.05 1 603 56 57 ILE HB H 1.881 0.05 1 604 56 57 ILE HG12 H 0.764 0.05 1 605 56 57 ILE HG13 H 1.911 0.05 1 606 56 57 ILE HG2 H 0.911 0.05 1 607 56 57 ILE HD1 H 0.670 0.05 1 608 56 57 ILE C C 176.578 0.3 1 609 56 57 ILE CA C 66.702 0.3 1 610 56 57 ILE CB C 37.912 0.3 1 611 56 57 ILE CG1 C 31.270 0.3 1 612 56 57 ILE CG2 C 17.260 0.3 1 613 56 57 ILE CD1 C 14.270 0.3 1 614 56 57 ILE N N 119.534 0.3 1 615 57 58 TRP H H 8.512 0.05 1 616 57 58 TRP HA H 3.827 0.05 1 617 57 58 TRP HB2 H 3.362 0.05 2 618 57 58 TRP HB3 H 3.382 0.05 2 619 57 58 TRP HE1 H 10.256 0.05 1 620 57 58 TRP HE3 H 7.315 0.05 1 621 57 58 TRP C C 175.712 0.3 1 622 57 58 TRP CA C 61.135 0.3 1 623 57 58 TRP CB C 28.731 0.3 1 624 57 58 TRP CD1 C 133.490 0.3 1 625 57 58 TRP CE3 C 125.205 0.3 1 626 57 58 TRP CZ2 C 119.679 0.3 1 627 57 58 TRP CZ3 C 126.863 0.3 1 628 57 58 TRP CH2 C 129.625 0.3 1 629 57 58 TRP N N 119.000 0.3 1 630 57 58 TRP NE1 N 129.648 0.3 1 631 58 59 LYS H H 7.433 0.05 1 632 58 59 LYS HA H 3.873 0.05 1 633 58 59 LYS HB2 H 1.976 0.05 2 634 58 59 LYS HB3 H 1.976 0.05 2 635 58 59 LYS HG2 H 1.540 0.05 2 636 58 59 LYS HG3 H 1.657 0.05 2 637 58 59 LYS HD2 H 1.743 0.05 2 638 58 59 LYS HD3 H 1.743 0.05 2 639 58 59 LYS HE2 H 3.034 0.05 2 640 58 59 LYS HE3 H 3.034 0.05 2 641 58 59 LYS C C 179.478 0.3 1 642 58 59 LYS CA C 59.135 0.3 1 643 58 59 LYS CB C 32.457 0.3 1 644 58 59 LYS CG C 25.500 0.3 1 645 58 59 LYS CD C 29.470 0.3 1 646 58 59 LYS CE C 42.050 0.3 1 647 58 59 LYS N N 114.595 0.3 1 648 59 60 LEU H H 7.658 0.05 1 649 59 60 LEU HA H 3.957 0.05 1 650 59 60 LEU HB2 H 1.078 0.05 2 651 59 60 LEU HB3 H 1.940 0.05 2 652 59 60 LEU HG H 1.829 0.05 1 653 59 60 LEU HD1 H 0.839 0.05 2 654 59 60 LEU HD2 H 0.644 0.05 2 655 59 60 LEU C C 176.958 0.3 1 656 59 60 LEU CA C 56.784 0.3 1 657 59 60 LEU CB C 43.629 0.3 1 658 59 60 LEU CG C 27.036 0.3 1 659 59 60 LEU CD1 C 26.077 0.3 1 660 59 60 LEU CD2 C 22.466 0.3 1 661 59 60 LEU N N 117.530 0.3 1 662 60 61 ALA H H 7.984 0.05 1 663 60 61 ALA HA H 4.146 0.05 1 664 60 61 ALA HB H 1.149 0.05 1 665 60 61 ALA C C 176.826 0.3 1 666 60 61 ALA CA C 53.659 0.3 1 667 60 61 ALA CB C 19.258 0.3 1 668 60 61 ALA N N 117.596 0.3 1 669 61 62 ASP H H 7.369 0.05 1 670 61 62 ASP HA H 4.533 0.05 1 671 61 62 ASP HB2 H 1.164 0.05 2 672 61 62 ASP HB3 H 2.229 0.05 2 673 61 62 ASP C C 178.497 0.3 1 674 61 62 ASP CA C 51.838 0.3 1 675 61 62 ASP CB C 36.775 0.3 1 676 61 62 ASP N N 112.746 0.3 1 677 62 63 ILE H H 8.361 0.05 1 678 62 63 ILE HA H 3.458 0.05 1 679 62 63 ILE HB H 1.635 0.05 1 680 62 63 ILE HG12 H 1.191 0.05 1 681 62 63 ILE HG13 H 1.777 0.05 1 682 62 63 ILE HG2 H 0.847 0.05 1 683 62 63 ILE HD1 H 0.816 0.05 1 684 62 63 ILE C C 177.940 0.3 1 685 62 63 ILE CA C 64.268 0.3 1 686 62 63 ILE CB C 39.207 0.3 1 687 62 63 ILE CG1 C 28.721 0.3 1 688 62 63 ILE CG2 C 17.344 0.3 1 689 62 63 ILE CD1 C 14.806 0.3 1 690 62 63 ILE N N 128.792 0.3 1 691 63 64 ASP H H 7.874 0.05 1 692 63 64 ASP HA H 4.508 0.05 1 693 63 64 ASP HB2 H 2.427 0.05 2 694 63 64 ASP HB3 H 3.086 0.05 2 695 63 64 ASP C C 175.791 0.3 1 696 63 64 ASP CA C 52.918 0.3 1 697 63 64 ASP CB C 39.502 0.3 1 698 63 64 ASP N N 113.604 0.3 1 699 64 65 LYS H H 7.495 0.05 1 700 64 65 LYS HA H 3.831 0.05 1 701 64 65 LYS HB2 H 1.935 0.05 2 702 64 65 LYS HB3 H 2.018 0.05 2 703 64 65 LYS HG2 H 1.385 0.05 2 704 64 65 LYS HG3 H 1.385 0.05 2 705 64 65 LYS HD2 H 1.750 0.05 2 706 64 65 LYS HD3 H 1.750 0.05 2 707 64 65 LYS HE2 H 3.041 0.05 2 708 64 65 LYS HE3 H 3.041 0.05 2 709 64 65 LYS C C 175.632 0.3 1 710 64 65 LYS CA C 57.977 0.3 1 711 64 65 LYS CB C 29.334 0.3 1 712 64 65 LYS CG C 24.883 0.3 1 713 64 65 LYS CD C 29.548 0.3 1 714 64 65 LYS CE C 42.300 0.3 1 715 64 65 LYS N N 113.812 0.3 1 716 65 66 ASP H H 8.520 0.05 1 717 65 66 ASP HA H 5.620 0.05 1 718 65 66 ASP HB2 H 2.621 0.05 2 719 65 66 ASP HB3 H 3.274 0.05 2 720 65 66 ASP C C 178.360 0.3 1 721 65 66 ASP CA C 53.500 0.3 1 722 65 66 ASP CB C 40.675 0.3 1 723 65 66 ASP N N 118.457 0.3 1 724 66 67 GLY H H 10.547 0.05 1 725 66 67 GLY HA2 H 3.868 0.05 2 726 66 67 GLY HA3 H 4.286 0.05 2 727 66 67 GLY C C 172.848 0.3 1 728 66 67 GLY CA C 46.194 0.3 1 729 66 67 GLY N N 113.567 0.3 1 730 67 68 MET H H 8.238 0.05 1 731 67 68 MET HA H 5.044 0.05 1 732 67 68 MET HB2 H 1.927 0.05 2 733 67 68 MET HB3 H 2.155 0.05 2 734 67 68 MET HG2 H 2.422 0.05 2 735 67 68 MET HG3 H 2.422 0.05 2 736 67 68 MET HE H 1.961 0.05 1 737 67 68 MET C C 175.234 0.3 1 738 67 68 MET CA C 53.717 0.3 1 739 67 68 MET CB C 36.848 0.3 1 740 67 68 MET CG C 32.972 0.3 1 741 67 68 MET CE C 17.880 0.3 1 742 67 68 MET N N 119.056 0.3 1 743 68 69 LEU H H 8.534 0.05 1 744 68 69 LEU HA H 5.903 0.05 1 745 68 69 LEU HB2 H 1.693 0.05 2 746 68 69 LEU HB3 H 1.811 0.05 2 747 68 69 LEU HG H 1.601 0.05 1 748 68 69 LEU HD1 H 0.890 0.05 2 749 68 69 LEU HD2 H 0.143 0.05 2 750 68 69 LEU C C 177.162 0.3 1 751 68 69 LEU CA C 53.295 0.3 1 752 68 69 LEU CB C 43.809 0.3 1 753 68 69 LEU CG C 26.590 0.3 1 754 68 69 LEU CD1 C 27.700 0.3 1 755 68 69 LEU CD2 C 21.710 0.3 1 756 68 69 LEU N N 119.071 0.3 1 757 69 70 ASP H H 9.057 0.05 1 758 69 70 ASP HA H 5.608 0.05 1 759 69 70 ASP HB2 H 2.624 0.05 2 760 69 70 ASP HB3 H 3.290 0.05 2 761 69 70 ASP C C 175.314 0.3 1 762 69 70 ASP CA C 52.427 0.3 1 763 69 70 ASP CB C 40.653 0.3 1 764 69 70 ASP N N 122.208 0.3 1 765 70 71 ASP H H 8.492 0.05 1 766 70 71 ASP HA H 2.971 0.05 1 767 70 71 ASP HB2 H 1.482 0.05 2 768 70 71 ASP HB3 H 2.017 0.05 2 769 70 71 ASP C C 179.080 0.3 1 770 70 71 ASP CA C 57.377 0.3 1 771 70 71 ASP CB C 38.067 0.3 1 772 70 71 ASP N N 114.899 0.3 1 773 71 72 ASP H H 7.832 0.05 1 774 71 72 ASP HA H 4.674 0.05 1 775 71 72 ASP HB2 H 2.170 0.05 2 776 71 72 ASP HB3 H 2.716 0.05 2 777 71 72 ASP C C 178.497 0.3 1 778 71 72 ASP CA C 57.887 0.3 1 779 71 72 ASP CB C 41.132 0.3 1 780 71 72 ASP N N 124.839 0.3 1 781 72 73 GLU H H 8.890 0.05 1 782 72 73 GLU HA H 3.960 0.05 1 783 72 73 GLU HB2 H 2.210 0.05 2 784 72 73 GLU HB3 H 2.452 0.05 2 785 72 73 GLU HG2 H 2.380 0.05 2 786 72 73 GLU HG3 H 2.890 0.05 2 787 72 73 GLU C C 179.239 0.3 1 788 72 73 GLU CA C 59.804 0.3 1 789 72 73 GLU CB C 31.871 0.3 1 790 72 73 GLU CG C 37.500 0.3 1 791 72 73 GLU N N 121.578 0.3 1 792 73 74 PHE H H 9.409 0.05 1 793 73 74 PHE HA H 4.221 0.05 1 794 73 74 PHE HB2 H 3.047 0.05 2 795 73 74 PHE HB3 H 3.217 0.05 2 796 73 74 PHE HD1 H 7.632 0.05 3 797 73 74 PHE HD2 H 7.632 0.05 3 798 73 74 PHE HE1 H 7.444 0.05 3 799 73 74 PHE HE2 H 7.444 0.05 3 800 73 74 PHE HZ H 7.270 0.05 1 801 73 74 PHE C C 178.205 0.3 1 802 73 74 PHE CA C 61.221 0.3 1 803 73 74 PHE CB C 39.866 0.3 1 804 73 74 PHE N N 118.580 0.3 1 805 74 75 ALA H H 8.252 0.05 1 806 74 75 ALA HA H 3.823 0.05 1 807 74 75 ALA HB H 1.833 0.05 1 808 74 75 ALA C C 178.284 0.3 1 809 74 75 ALA CA C 55.442 0.3 1 810 74 75 ALA CB C 18.001 0.3 1 811 74 75 ALA N N 125.206 0.3 1 812 75 76 LEU H H 8.434 0.05 1 813 75 76 LEU HA H 4.075 0.05 1 814 75 76 LEU HB2 H 1.809 0.05 2 815 75 76 LEU HB3 H 2.433 0.05 2 816 75 76 LEU HG H 1.585 0.05 1 817 75 76 LEU HD1 H 1.210 0.05 2 818 75 76 LEU HD2 H 1.210 0.05 2 819 75 76 LEU C C 177.621 0.3 1 820 75 76 LEU CA C 58.033 0.3 1 821 75 76 LEU CB C 42.394 0.3 1 822 75 76 LEU CG C 27.663 0.3 1 823 75 76 LEU CD1 C 27.800 0.3 1 824 75 76 LEU CD2 C 23.500 0.3 1 825 75 76 LEU N N 118.874 0.3 1 826 76 77 ALA H H 8.674 0.05 1 827 76 77 ALA HA H 3.626 0.05 1 828 76 77 ALA HB H 1.169 0.05 1 829 76 77 ALA C C 178.576 0.3 1 830 76 77 ALA CA C 55.531 0.3 1 831 76 77 ALA CB C 16.793 0.3 1 832 76 77 ALA N N 120.686 0.3 1 833 77 78 ASN H H 7.273 0.05 1 834 77 78 ASN HA H 3.778 0.05 1 835 77 78 ASN HB2 H 1.242 0.05 2 836 77 78 ASN HB3 H 1.338 0.05 2 837 77 78 ASN HD21 H 5.810 0.05 2 838 77 78 ASN HD22 H 5.810 0.05 2 839 77 78 ASN C C 177.038 0.3 1 840 77 78 ASN CA C 56.782 0.3 1 841 77 78 ASN CB C 37.803 0.3 1 842 77 78 ASN N N 113.456 0.3 1 843 77 78 ASN ND2 N 107.800 0.3 1 844 78 79 HIS H H 8.372 0.05 1 845 78 79 HIS HA H 4.141 0.05 1 846 78 79 HIS HB2 H 3.054 0.05 2 847 78 79 HIS HB3 H 3.297 0.05 2 848 78 79 HIS HD2 H 6.286 0.05 1 849 78 79 HIS HE1 H 7.540 0.05 1 850 78 79 HIS C C 176.375 0.3 1 851 78 79 HIS CA C 60.506 0.3 1 852 78 79 HIS CB C 31.746 0.3 1 853 78 79 HIS CD2 C 122.766 0.3 1 854 78 79 HIS N N 122.903 0.3 1 855 79 80 LEU H H 8.315 0.05 1 856 79 80 LEU HA H 3.825 0.05 1 857 79 80 LEU HB2 H 1.113 0.05 2 858 79 80 LEU HB3 H 2.059 0.05 2 859 79 80 LEU HG H 1.996 0.05 1 860 79 80 LEU HD1 H 0.820 0.05 2 861 79 80 LEU HD2 H 0.735 0.05 2 862 79 80 LEU C C 178.338 0.3 1 863 79 80 LEU CA C 57.459 0.3 1 864 79 80 LEU CB C 41.895 0.3 1 865 79 80 LEU CG C 27.043 0.3 1 866 79 80 LEU CD1 C 27.659 0.3 1 867 79 80 LEU CD2 C 21.400 0.3 1 868 79 80 LEU N N 117.100 0.3 1 869 80 81 ILE H H 7.777 0.05 1 870 80 81 ILE HA H 3.296 0.05 1 871 80 81 ILE HB H 1.914 0.05 1 872 80 81 ILE HG12 H 0.740 0.05 1 873 80 81 ILE HG13 H 1.936 0.05 1 874 80 81 ILE HG2 H 0.903 0.05 1 875 80 81 ILE HD1 H 0.760 0.05 1 876 80 81 ILE C C 176.587 0.3 1 877 80 81 ILE CA C 66.134 0.3 1 878 80 81 ILE CB C 38.141 0.3 1 879 80 81 ILE CG1 C 30.776 0.3 1 880 80 81 ILE CG2 C 17.097 0.3 1 881 80 81 ILE CD1 C 13.478 0.3 1 882 80 81 ILE N N 119.156 0.3 1 883 81 82 LYS H H 7.575 0.05 1 884 81 82 LYS HA H 3.820 0.05 1 885 81 82 LYS HB2 H 1.849 0.05 2 886 81 82 LYS HB3 H 2.000 0.05 2 887 81 82 LYS HG2 H 1.172 0.05 2 888 81 82 LYS HG3 H 1.478 0.05 2 889 81 82 LYS HD2 H 1.665 0.05 2 890 81 82 LYS HD3 H 1.667 0.05 2 891 81 82 LYS HE2 H 2.930 0.05 2 892 81 82 LYS HE3 H 2.995 0.05 2 893 81 82 LYS C C 179.133 0.3 1 894 81 82 LYS CA C 60.309 0.3 1 895 81 82 LYS CB C 31.812 0.3 1 896 81 82 LYS CG C 24.512 0.3 1 897 81 82 LYS CD C 29.519 0.3 1 898 81 82 LYS CE C 42.358 0.3 1 899 81 82 LYS N N 120.345 0.3 1 900 82 83 VAL H H 8.171 0.05 1 901 82 83 VAL HA H 3.727 0.05 1 902 82 83 VAL HB H 2.043 0.05 1 903 82 83 VAL HG1 H 0.673 0.05 2 904 82 83 VAL HG2 H 0.704 0.05 2 905 82 83 VAL C C 178.417 0.3 1 906 82 83 VAL CA C 65.628 0.3 1 907 82 83 VAL CB C 31.658 0.3 1 908 82 83 VAL CG1 C 21.700 0.3 1 909 82 83 VAL CG2 C 21.070 0.3 1 910 82 83 VAL N N 116.767 0.3 1 911 83 84 LYS H H 7.869 0.05 1 912 83 84 LYS HA H 4.556 0.05 1 913 83 84 LYS HB2 H 1.750 0.05 2 914 83 84 LYS HB3 H 2.130 0.05 2 915 83 84 LYS HG2 H 1.295 0.05 2 916 83 84 LYS HG3 H 1.504 0.05 2 917 83 84 LYS HD2 H 1.700 0.05 2 918 83 84 LYS HD3 H 2.030 0.05 2 919 83 84 LYS C C 181.849 0.3 1 920 83 84 LYS CA C 57.208 0.3 1 921 83 84 LYS CB C 31.500 0.3 1 922 83 84 LYS CG C 25.176 0.3 1 923 83 84 LYS CD C 28.100 0.3 1 924 83 84 LYS N N 121.130 0.3 1 925 84 85 LEU H H 8.969 0.05 1 926 84 85 LEU HA H 4.073 0.05 1 927 84 85 LEU HB2 H 1.447 0.05 2 928 84 85 LEU HB3 H 2.084 0.05 2 929 84 85 LEU HG H 1.856 0.05 1 930 84 85 LEU HD1 H 0.871 0.05 2 931 84 85 LEU HD2 H 0.930 0.05 2 932 84 85 LEU C C 179.558 0.3 1 933 84 85 LEU CA C 58.009 0.3 1 934 84 85 LEU CB C 41.738 0.3 1 935 84 85 LEU CG C 27.052 0.3 1 936 84 85 LEU CD1 C 26.380 0.3 1 937 84 85 LEU CD2 C 22.700 0.3 1 938 84 85 LEU N N 123.329 0.3 1 939 85 86 GLU H H 7.822 0.05 1 940 85 86 GLU HA H 4.144 0.05 1 941 85 86 GLU HB2 H 2.172 0.05 2 942 85 86 GLU HB3 H 2.234 0.05 2 943 85 86 GLU HG2 H 2.235 0.05 2 944 85 86 GLU HG3 H 2.539 0.05 2 945 85 86 GLU C C 176.587 0.3 1 946 85 86 GLU CA C 56.800 0.3 1 947 85 86 GLU CB C 29.951 0.3 1 948 85 86 GLU CG C 36.980 0.3 1 949 85 86 GLU N N 117.741 0.3 1 950 86 87 GLY H H 7.865 0.05 1 951 86 87 GLY HA2 H 3.640 0.05 2 952 86 87 GLY HA3 H 4.163 0.05 2 953 86 87 GLY C C 174.412 0.3 1 954 86 87 GLY CA C 44.950 0.3 1 955 86 87 GLY N N 105.826 0.3 1 956 87 88 HIS H H 7.718 0.05 1 957 87 88 HIS HA H 4.675 0.05 1 958 87 88 HIS HB2 H 2.830 0.05 2 959 87 88 HIS HB3 H 3.020 0.05 2 960 87 88 HIS HD2 H 7.140 0.05 1 961 87 88 HIS HE1 H 7.770 0.05 1 962 87 88 HIS C C 174.837 0.3 1 963 87 88 HIS CA C 55.281 0.3 1 964 87 88 HIS CB C 31.067 0.3 1 965 87 88 HIS CD2 C 125.760 0.3 1 966 87 88 HIS N N 120.225 0.3 1 967 88 89 GLU H H 8.485 0.05 1 968 88 89 GLU HA H 4.302 0.05 1 969 88 89 GLU HB2 H 1.850 0.05 2 970 88 89 GLU HB3 H 1.956 0.05 2 971 88 89 GLU HG2 H 2.279 0.05 2 972 88 89 GLU HG3 H 2.388 0.05 2 973 88 89 GLU C C 176.640 0.3 1 974 88 89 GLU CA C 55.285 0.3 1 975 88 89 GLU CB C 30.489 0.3 1 976 88 89 GLU CG C 35.947 0.3 1 977 88 89 GLU N N 119.708 0.3 1 978 89 90 LEU H H 8.685 0.05 1 979 89 90 LEU HA H 4.459 0.05 1 980 89 90 LEU HB2 H 1.174 0.05 2 981 89 90 LEU HB3 H 1.658 0.05 2 982 89 90 LEU HD1 H 0.820 0.05 2 983 89 90 LEU HD2 H 0.878 0.05 2 984 89 90 LEU C C 174.880 0.3 1 985 89 90 LEU CA C 51.849 0.3 1 986 89 90 LEU CB C 41.733 0.3 1 987 89 90 LEU CD1 C 23.620 0.3 1 988 89 90 LEU CD2 C 26.809 0.3 1 989 89 90 LEU N N 123.271 0.3 1 990 90 91 PRO HA H 4.600 0.05 1 991 90 91 PRO HB2 H 2.310 0.05 2 992 90 91 PRO HB3 H 2.310 0.05 2 993 90 91 PRO HG2 H 1.806 0.05 2 994 90 91 PRO HG3 H 1.958 0.05 2 995 90 91 PRO HD2 H 3.330 0.05 2 996 90 91 PRO HD3 H 3.780 0.05 2 997 90 91 PRO C C 174.996 0.3 1 998 90 91 PRO CA C 61.700 0.3 1 999 90 91 PRO CB C 31.700 0.3 1 1000 90 91 PRO CG C 26.600 0.3 1 1001 90 91 PRO CD C 49.300 0.3 1 1002 91 92 ASN H H 8.573 0.05 1 1003 91 92 ASN HA H 4.448 0.05 1 1004 91 92 ASN HB2 H 2.762 0.05 2 1005 91 92 ASN HB3 H 2.797 0.05 2 1006 91 92 ASN HD21 H 7.729 0.05 2 1007 91 92 ASN HD22 H 7.034 0.05 2 1008 91 92 ASN C C 175.102 0.3 1 1009 91 92 ASN CA C 54.980 0.3 1 1010 91 92 ASN CB C 39.017 0.3 1 1011 91 92 ASN N N 116.102 0.3 1 1012 91 92 ASN ND2 N 114.247 0.3 1 1013 92 93 GLU H H 7.489 0.05 1 1014 92 93 GLU HA H 4.340 0.05 1 1015 92 93 GLU HB2 H 1.756 0.05 2 1016 92 93 GLU HB3 H 1.927 0.05 2 1017 92 93 GLU HG2 H 2.109 0.05 2 1018 92 93 GLU HG3 H 2.109 0.05 2 1019 92 93 GLU C C 175.221 0.3 1 1020 92 93 GLU CA C 54.105 0.3 1 1021 92 93 GLU CB C 32.532 0.3 1 1022 92 93 GLU CG C 35.790 0.3 1 1023 92 93 GLU N N 115.434 0.3 1 1024 93 94 LEU H H 9.094 0.05 1 1025 93 94 LEU HA H 4.133 0.05 1 1026 93 94 LEU HB2 H 1.506 0.05 2 1027 93 94 LEU HB3 H 1.616 0.05 2 1028 93 94 LEU HG H 1.725 0.05 1 1029 93 94 LEU HD1 H 0.950 0.05 2 1030 93 94 LEU HD2 H 0.840 0.05 2 1031 93 94 LEU C C 174.786 0.3 1 1032 93 94 LEU CA C 53.625 0.3 1 1033 93 94 LEU CB C 42.354 0.3 1 1034 93 94 LEU CG C 26.380 0.3 1 1035 93 94 LEU CD1 C 26.300 0.3 1 1036 93 94 LEU CD2 C 25.530 0.3 1 1037 93 94 LEU N N 125.450 0.3 1 1038 94 95 PRO HA H 4.600 0.05 1 1039 94 95 PRO HB2 H 1.850 0.05 2 1040 94 95 PRO HB3 H 2.430 0.05 2 1041 94 95 PRO HG2 H 1.605 0.05 2 1042 94 95 PRO HG3 H 2.110 0.05 2 1043 94 95 PRO HD2 H 3.470 0.05 2 1044 94 95 PRO HD3 H 4.070 0.05 2 1045 94 95 PRO C C 177.542 0.3 1 1046 94 95 PRO CA C 62.100 0.3 1 1047 94 95 PRO CB C 32.540 0.3 1 1048 94 95 PRO CG C 27.230 0.3 1 1049 94 95 PRO CD C 50.800 0.3 1 1050 95 96 ALA H H 8.740 0.05 1 1051 95 96 ALA HA H 3.980 0.05 1 1052 95 96 ALA HB H 1.510 0.05 1 1053 95 96 ALA C C 180.008 0.3 1 1054 95 96 ALA CA C 55.591 0.3 1 1055 95 96 ALA CB C 18.500 0.3 1 1056 95 96 ALA N N 123.820 0.3 1 1057 96 97 HIS H H 7.953 0.05 1 1058 96 97 HIS HA H 4.560 0.05 1 1059 96 97 HIS HB2 H 3.060 0.05 2 1060 96 97 HIS HB3 H 3.400 0.05 2 1061 96 97 HIS HD2 H 6.940 0.05 1 1062 96 97 HIS C C 176.348 0.3 1 1063 96 97 HIS CA C 58.000 0.3 1 1064 96 97 HIS CB C 29.250 0.3 1 1065 96 97 HIS CD2 C 124.650 0.3 1 1066 96 97 HIS N N 110.700 0.3 1 1067 97 98 LEU H H 7.482 0.05 1 1068 97 98 LEU HA H 4.560 0.05 1 1069 97 98 LEU HB2 H 1.490 0.05 2 1070 97 98 LEU HB3 H 1.690 0.05 2 1071 97 98 LEU HG H 1.060 0.05 1 1072 97 98 LEU HD1 H 0.815 0.05 2 1073 97 98 LEU HD2 H 0.687 0.05 2 1074 97 98 LEU C C 177.303 0.3 1 1075 97 98 LEU CA C 54.400 0.3 1 1076 97 98 LEU CB C 43.088 0.3 1 1077 97 98 LEU CG C 27.020 0.3 1 1078 97 98 LEU CD1 C 25.100 0.3 1 1079 97 98 LEU CD2 C 23.400 0.3 1 1080 97 98 LEU N N 119.173 0.3 1 1081 98 99 LEU H H 7.325 0.05 1 1082 98 99 LEU HA H 4.175 0.05 1 1083 98 99 LEU HB2 H 1.230 0.05 2 1084 98 99 LEU HB3 H 1.650 0.05 2 1085 98 99 LEU HG H 1.510 0.05 1 1086 98 99 LEU HD1 H 0.910 0.05 2 1087 98 99 LEU HD2 H 0.820 0.05 2 1088 98 99 LEU C C 174.200 0.3 1 1089 98 99 LEU CA C 53.300 0.3 1 1090 98 99 LEU CB C 42.300 0.3 1 1091 98 99 LEU CG C 27.050 0.3 1 1092 98 99 LEU CD1 C 25.500 0.3 1 1093 98 99 LEU CD2 C 24.900 0.3 1 1094 98 99 LEU N N 122.939 0.3 1 1095 99 100 PRO HA H 2.330 0.05 1 1096 99 100 PRO HB2 H 1.140 0.05 2 1097 99 100 PRO HB3 H 1.240 0.05 2 1098 99 100 PRO HG2 H 1.590 0.05 2 1099 99 100 PRO HG3 H 1.840 0.05 2 1100 99 100 PRO HD2 H 3.180 0.05 2 1101 99 100 PRO HD3 H 3.990 0.05 2 1102 99 100 PRO CA C 59.900 0.3 1 1103 99 100 PRO CB C 30.200 0.3 1 1104 99 100 PRO CG C 27.400 0.3 1 1105 99 100 PRO CD C 50.200 0.3 1 1106 100 101 PRO HA H 3.629 0.05 1 1107 100 101 PRO HB2 H 1.816 0.05 2 1108 100 101 PRO HB3 H 2.246 0.05 2 1109 100 101 PRO HG2 H 1.699 0.05 2 1110 100 101 PRO HG3 H 2.109 0.05 2 1111 100 101 PRO HD2 H 2.565 0.05 2 1112 100 101 PRO HD3 H 2.858 0.05 2 1113 100 101 PRO C C 178.072 0.3 1 1114 100 101 PRO CA C 65.786 0.3 1 1115 100 101 PRO CB C 31.828 0.3 1 1116 100 101 PRO CG C 27.591 0.3 1 1117 100 101 PRO CD C 49.811 0.3 1 1118 101 102 SER H H 8.197 0.05 1 1119 101 102 SER HA H 4.083 0.05 1 1120 101 102 SER HB2 H 3.890 0.05 2 1121 101 102 SER HB3 H 3.890 0.05 2 1122 101 102 SER C C 175.403 0.3 1 1123 101 102 SER CA C 59.980 0.3 1 1124 101 102 SER CB C 62.443 0.3 1 1125 101 102 SER N N 110.994 0.3 1 1126 102 103 LYS H H 7.888 0.05 1 1127 102 103 LYS HA H 4.512 0.05 1 1128 102 103 LYS HB2 H 1.473 0.05 2 1129 102 103 LYS HB3 H 2.098 0.05 2 1130 102 103 LYS HG2 H 1.204 0.05 2 1131 102 103 LYS HG3 H 1.204 0.05 2 1132 102 103 LYS HD2 H 1.407 0.05 2 1133 102 103 LYS HD3 H 1.580 0.05 2 1134 102 103 LYS HE2 H 2.742 0.05 2 1135 102 103 LYS HE3 H 2.974 0.05 2 1136 102 103 LYS C C 175.881 0.3 1 1137 102 103 LYS CA C 54.091 0.3 1 1138 102 103 LYS CB C 32.681 0.3 1 1139 102 103 LYS CG C 25.180 0.3 1 1140 102 103 LYS CD C 28.290 0.3 1 1141 102 103 LYS CE C 41.973 0.3 1 1142 102 103 LYS N N 119.262 0.3 1 1143 103 104 ARG H H 7.168 0.05 1 1144 103 104 ARG HA H 4.127 0.05 1 1145 103 104 ARG HB2 H 1.655 0.05 2 1146 103 104 ARG HB3 H 1.823 0.05 2 1147 103 104 ARG HG2 H 1.510 0.05 2 1148 103 104 ARG HG3 H 1.510 0.05 2 1149 103 104 ARG HD2 H 2.959 0.05 2 1150 103 104 ARG HD3 H 3.198 0.05 2 1151 103 104 ARG C C 175.927 0.3 1 1152 103 104 ARG CA C 56.756 0.3 1 1153 103 104 ARG CB C 30.896 0.3 1 1154 103 104 ARG CG C 27.200 0.3 1 1155 103 104 ARG CD C 43.700 0.3 1 1156 103 104 ARG N N 119.450 0.3 1 1157 104 105 LYS H H 8.225 0.05 1 1158 104 105 LYS HA H 4.325 0.05 1 1159 104 105 LYS HB2 H 1.672 0.05 2 1160 104 105 LYS HB3 H 1.672 0.05 2 1161 104 105 LYS HG2 H 1.356 0.05 2 1162 104 105 LYS HG3 H 1.356 0.05 2 1163 104 105 LYS HD2 H 1.620 0.05 2 1164 104 105 LYS HD3 H 1.620 0.05 2 1165 104 105 LYS HE2 H 2.961 0.05 2 1166 104 105 LYS HE3 H 2.961 0.05 2 1167 104 105 LYS C C 176.375 0.3 1 1168 104 105 LYS CA C 56.119 0.3 1 1169 104 105 LYS CB C 33.082 0.3 1 1170 104 105 LYS CG C 24.500 0.3 1 1171 104 105 LYS CD C 29.200 0.3 1 1172 104 105 LYS CE C 42.256 0.3 1 1173 104 105 LYS N N 121.816 0.3 1 1174 105 106 VAL H H 8.176 0.05 1 1175 105 106 VAL HA H 4.047 0.05 1 1176 105 106 VAL HB H 2.022 0.05 1 1177 105 106 VAL HG1 H 0.899 0.05 2 1178 105 106 VAL HG2 H 0.907 0.05 2 1179 105 106 VAL C C 175.579 0.3 1 1180 105 106 VAL CA C 62.318 0.3 1 1181 105 106 VAL CB C 32.986 0.3 1 1182 105 106 VAL CG1 C 20.430 0.3 1 1183 105 106 VAL CG2 C 20.430 0.3 1 1184 105 106 VAL N N 122.114 0.3 1 1185 106 107 ALA H H 8.321 0.05 1 1186 106 107 ALA HA H 4.330 0.05 1 1187 106 107 ALA HB H 1.367 0.05 1 1188 106 107 ALA C C 176.454 0.3 1 1189 106 107 ALA CA C 52.374 0.3 1 1190 106 107 ALA CB C 19.313 0.3 1 1191 106 107 ALA N N 128.409 0.3 1 1192 107 108 GLU H H 7.932 0.05 1 1193 107 108 GLU HA H 4.074 0.05 1 1194 107 108 GLU HB2 H 1.878 0.05 2 1195 107 108 GLU HB3 H 2.010 0.05 2 1196 107 108 GLU HG2 H 2.180 0.05 2 1197 107 108 GLU HG3 H 2.180 0.05 2 1198 107 108 GLU C C 181.132 0.3 1 1199 107 108 GLU CA C 57.993 0.3 1 1200 107 108 GLU CB C 31.186 0.3 1 1201 107 108 GLU CG C 36.370 0.3 1 1202 107 108 GLU N N 125.959 0.3 1 stop_ save_