data_4945 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; VAM3P N-TERMINAL DOMAIN SOLUTION STRUCTURE ; _BMRB_accession_number 4945 _BMRB_flat_file_name bmr4945.str _Entry_type original _Submission_date 2001-01-22 _Accession_date 2001-01-22 _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 Dulubova I. . . 2 Yamaguchi T. . . 3 Wang Y. . . 4 Sudhof T. C. . 5 Rizo J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 759 "13C chemical shifts" 502 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-08-22 original author . stop_ _Original_release_date 2001-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Vam3p Structure Reveals Conserved and Divergent Properties of Syntaxins' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21127492 _PubMed_ID 11224573 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dulubova I. . . 2 Yamaguchi T. . . 3 Wang Y. . . 4 Sudhof T. C. . 5 Rizo J. . . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_name_full 'Nature Structural Biology' _Journal_volume 8 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 258 _Page_last 264 _Year 2001 _Details . loop_ _Keyword 'up-and-down three-helix bundle' 'insertion preceding proline in an alpha-helix' stop_ save_ ################################## # Molecular system description # ################################## save_system_Vam3N _Saveframe_category molecular_system _Mol_system_name 'Vam3p N-terminal domain' _Abbreviation_common Vam3N _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Vam3p N-terminal domain' $Vam3N stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Vam3N _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'single chain biopolimer' _Abbreviation_common Vam3N _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; GSSQQEPQFSTNQKTKELSN LIETFAEQSRVLEKECTKIG SKRDSKELRYKIETELIPNC TSVRDKIESNILIHQNGKLS ADFKNLKTKYQSLQQSYNQR KSLFPLKTPISPGTSKERKD IHP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 GLY 2 14 SER 3 15 SER 4 16 GLN 5 17 GLN 6 18 GLU 7 19 PRO 8 20 GLN 9 21 PHE 10 22 SER 11 23 THR 12 24 ASN 13 25 GLN 14 26 LYS 15 27 THR 16 28 LYS 17 29 GLU 18 30 LEU 19 31 SER 20 32 ASN 21 33 LEU 22 34 ILE 23 35 GLU 24 36 THR 25 37 PHE 26 38 ALA 27 39 GLU 28 40 GLN 29 41 SER 30 42 ARG 31 43 VAL 32 44 LEU 33 45 GLU 34 46 LYS 35 47 GLU 36 48 CYS 37 49 THR 38 50 LYS 39 51 ILE 40 52 GLY 41 53 SER 42 54 LYS 43 55 ARG 44 56 ASP 45 57 SER 46 58 LYS 47 59 GLU 48 60 LEU 49 61 ARG 50 62 TYR 51 63 LYS 52 64 ILE 53 65 GLU 54 66 THR 55 67 GLU 56 68 LEU 57 69 ILE 58 70 PRO 59 71 ASN 60 72 CYS 61 73 THR 62 74 SER 63 75 VAL 64 76 ARG 65 77 ASP 66 78 LYS 67 79 ILE 68 80 GLU 69 81 SER 70 82 ASN 71 83 ILE 72 84 LEU 73 85 ILE 74 86 HIS 75 87 GLN 76 88 ASN 77 89 GLY 78 90 LYS 79 91 LEU 80 92 SER 81 93 ALA 82 94 ASP 83 95 PHE 84 96 LYS 85 97 ASN 86 98 LEU 87 99 LYS 88 100 THR 89 101 LYS 90 102 TYR 91 103 GLN 92 104 SER 93 105 LEU 94 106 GLN 95 107 GLN 96 108 SER 97 109 TYR 98 110 ASN 99 111 GLN 100 112 ARG 101 113 LYS 102 114 SER 103 115 LEU 104 116 PHE 105 117 PRO 106 118 LEU 107 119 LYS 108 120 THR 109 121 PRO 110 122 ILE 111 123 SER 112 124 PRO 113 125 GLY 114 126 THR 115 127 SER 116 128 LYS 117 129 GLU 118 130 ARG 119 131 LYS 120 132 ASP 121 133 ILE 122 134 HIS 123 135 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1HS7 "Vam3p N-Terminal Domain Solution Structure" 78.86 97 100.00 100.00 3.32e-61 DBJ GAA26424 "K7_Vam3p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 283 99.19 100.00 2.12e-80 EMBL CAA64026 "YOR3220w [Saccharomyces cerevisiae]" 100.00 283 99.19 100.00 2.12e-80 EMBL CAA99304 "VAM3 [Saccharomyces cerevisiae]" 100.00 283 99.19 100.00 2.12e-80 EMBL CAY86392 "Vam3p [Saccharomyces cerevisiae EC1118]" 100.00 283 97.56 99.19 2.43e-78 GB AAC49737 "Vam3p [Saccharomyces cerevisiae]" 100.00 283 99.19 100.00 2.12e-80 GB AHY77403 "Vam3p [Saccharomyces cerevisiae YJM993]" 100.00 283 98.37 100.00 1.03e-79 GB EDN63969 "vacuolar morphogenesis protein [Saccharomyces cerevisiae YJM789]" 100.00 283 98.37 100.00 1.03e-79 GB EDV10703 "syntaxin VAM3 [Saccharomyces cerevisiae RM11-1a]" 100.00 283 98.37 100.00 1.03e-79 GB EEU07936 "Vam3p [Saccharomyces cerevisiae JAY291]" 100.00 283 98.37 100.00 1.03e-79 REF NP_014749 "Vam3p [Saccharomyces cerevisiae S288c]" 100.00 283 99.19 100.00 2.12e-80 SP Q12241 "RecName: Full=Syntaxin VAM3; AltName: Full=Vacuolar morphogenesis protein 3 [Saccharomyces cerevisiae S288c]" 100.00 283 99.19 100.00 2.12e-80 TPG DAA10881 "TPA: SNAP receptor VAM3 [Saccharomyces cerevisiae S288c]" 100.00 283 99.19 100.00 2.12e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Vam3N 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Vam3N 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pGex-KT 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 $Vam3N 0.9 mM '[U-99% 15N]' 'phosphate buffer' 20 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vam3N 0.85 mM '[U-99% 13C; U-99% 15N]' 'phosphate buffer' 20 mM . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1B loop_ _Task collection stop_ _Details Varian save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.7 loop_ _Task processing stop_ _Details Delaglio save_ save_NMRView _Saveframe_category software _Name NMRView _Version 4.1 loop_ _Task 'data analysis' stop_ _Details Johnson save_ save_CNS _Saveframe_category software _Name CNS _Version 0.9 loop_ _Task 'structure solution' stop_ _Details Brunger save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_2D_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_3D_13C-separated_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 n/a temperature 303 0.5 K 'ionic strength' 20 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Vam3p N-terminal domain' _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 . 3 SER H H 8.49 0.03 1 2 . 3 SER HA H 4.45 0.03 1 3 . 3 SER HB2 H 3.86 0.03 1 4 . 3 SER HB3 H 3.86 0.03 1 5 . 3 SER C C 174.57 0.12 1 6 . 3 SER CA C 58.30 0.12 1 7 . 3 SER CB C 63.60 0.12 1 8 . 3 SER N N 118.20 0.15 1 9 . 4 GLN H H 8.36 0.03 1 10 . 4 GLN HA H 4.28 0.03 1 11 . 4 GLN HB2 H 1.95 0.03 1 12 . 4 GLN HB3 H 2.07 0.03 1 13 . 4 GLN HG2 H 2.31 0.03 1 14 . 4 GLN HG3 H 2.31 0.03 1 15 . 4 GLN C C 174.37 0.12 1 16 . 4 GLN CA C 55.78 0.12 1 17 . 4 GLN CB C 29.40 0.12 1 18 . 4 GLN CG C 33.70 0.12 1 19 . 4 GLN N N 121.76 0.15 1 20 . 5 GLN H H 8.28 0.03 1 21 . 5 GLN HA H 4.30 0.03 1 22 . 5 GLN HB2 H 1.92 0.03 1 23 . 5 GLN HB3 H 2.05 0.03 1 24 . 5 GLN HG2 H 2.30 0.03 1 25 . 5 GLN HG3 H 2.30 0.03 1 26 . 5 GLN C C 175.53 0.12 1 27 . 5 GLN CA C 55.60 0.12 1 28 . 5 GLN CB C 29.50 0.12 1 29 . 5 GLN CG C 33.80 0.12 1 30 . 5 GLN N N 121.14 0.15 1 31 . 6 GLU H H 8.38 0.03 1 32 . 6 GLU HA H 4.53 0.03 1 33 . 6 GLU HB2 H 1.88 0.03 1 34 . 6 GLU HB3 H 2.03 0.03 1 35 . 6 GLU HG2 H 2.27 0.03 1 36 . 6 GLU HG3 H 2.27 0.03 1 37 . 6 GLU C C 175.53 0.12 1 38 . 6 GLU CA C 54.60 0.12 1 39 . 6 GLU CB C 29.50 0.12 1 40 . 6 GLU CG C 36.10 0.12 1 41 . 6 GLU N N 123.77 0.15 1 42 . 7 PRO HA H 4.33 0.03 1 43 . 7 PRO HB2 H 1.74 0.03 1 44 . 7 PRO HB3 H 2.21 0.03 1 45 . 7 PRO HG2 H 1.99 0.03 1 46 . 7 PRO HG3 H 1.99 0.03 1 47 . 7 PRO HD2 H 3.67 0.03 1 48 . 7 PRO HD3 H 3.79 0.03 1 49 . 7 PRO C C 174.70 0.12 1 50 . 7 PRO CA C 63.30 0.12 1 51 . 7 PRO CB C 31.94 0.12 1 52 . 7 PRO CG C 27.40 0.12 1 53 . 7 PRO CD C 50.46 0.12 1 54 . 8 GLN H H 8.46 0.03 1 55 . 8 GLN HA H 4.19 0.03 1 56 . 8 GLN HB2 H 1.88 0.03 1 57 . 8 GLN HB3 H 1.94 0.03 1 58 . 8 GLN HG2 H 2.18 0.03 1 59 . 8 GLN HG3 H 2.24 0.03 1 60 . 8 GLN C C 176.89 0.12 1 61 . 8 GLN CA C 55.90 0.12 1 62 . 8 GLN CB C 29.10 0.12 1 63 . 8 GLN CG C 33.50 0.12 1 64 . 8 GLN N N 119.91 0.15 1 65 . 9 PHE H H 8.11 0.03 1 66 . 9 PHE HA H 4.63 0.03 1 67 . 9 PHE HB2 H 3.03 0.03 1 68 . 9 PHE HB3 H 3.17 0.03 1 69 . 9 PHE HD1 H 7.21 0.03 1 70 . 9 PHE HD2 H 7.21 0.03 1 71 . 9 PHE HE1 H 7.30 0.03 1 72 . 9 PHE HE2 H 7.30 0.03 1 73 . 9 PHE C C 175.83 0.12 1 74 . 9 PHE CA C 57.70 0.12 1 75 . 9 PHE CB C 39.30 0.12 1 76 . 9 PHE N N 120.06 0.15 1 77 . 10 SER H H 8.21 0.03 1 78 . 10 SER HA H 4.44 0.03 1 79 . 10 SER HB2 H 3.85 0.03 1 80 . 10 SER HB3 H 3.85 0.03 1 81 . 10 SER C C 175.94 0.12 1 82 . 10 SER CA C 58.00 0.12 1 83 . 10 SER CB C 63.50 0.12 1 84 . 10 SER N N 116.60 0.15 1 85 . 11 THR H H 8.23 0.03 1 86 . 11 THR HA H 4.20 0.03 1 87 . 11 THR HB H 4.23 0.03 1 88 . 11 THR HG2 H 1.21 0.03 1 89 . 11 THR C C 175.09 0.12 1 90 . 11 THR CA C 63.20 0.12 1 91 . 11 THR CB C 69.01 0.12 1 92 . 11 THR CG2 C 21.76 0.12 1 93 . 11 THR N N 116.54 0.15 1 94 . 12 ASN H H 8.49 0.03 1 95 . 12 ASN HA H 4.58 0.03 1 96 . 12 ASN HB2 H 2.85 0.03 1 97 . 12 ASN HB3 H 2.85 0.03 1 98 . 12 ASN C C 175.33 0.12 1 99 . 12 ASN CA C 54.45 0.12 1 100 . 12 ASN CB C 38.40 0.12 1 101 . 12 ASN N N 121.30 0.15 1 102 . 12 ASN ND2 N 112.80 0.15 1 103 . 13 GLN H H 8.36 0.03 1 104 . 13 GLN HA H 4.04 0.03 1 105 . 13 GLN HB2 H 2.06 0.03 1 106 . 13 GLN HB3 H 2.06 0.03 1 107 . 13 GLN HG2 H 2.34 0.03 1 108 . 13 GLN HG3 H 2.34 0.03 1 109 . 13 GLN HE22 H 7.54 0.03 1 110 . 13 GLN C C 176.36 0.12 1 111 . 13 GLN CA C 58.38 0.12 1 112 . 13 GLN CB C 28.20 0.12 1 113 . 13 GLN CG C 33.40 0.12 1 114 . 13 GLN N N 121.10 0.15 1 115 . 13 GLN NE2 N 112.30 0.15 1 116 . 14 LYS H H 8.25 0.03 1 117 . 14 LYS HA H 4.11 0.03 1 118 . 14 LYS HB2 H 1.85 0.03 1 119 . 14 LYS HB3 H 1.85 0.03 1 120 . 14 LYS HG2 H 1.45 0.03 1 121 . 14 LYS HG3 H 1.53 0.03 1 122 . 14 LYS HD2 H 1.64 0.03 1 123 . 14 LYS HD3 H 1.64 0.03 1 124 . 14 LYS HE2 H 2.94 0.03 1 125 . 14 LYS HE3 H 2.94 0.03 1 126 . 14 LYS C C 177.95 0.12 1 127 . 14 LYS CA C 58.39 0.12 1 128 . 14 LYS CB C 32.08 0.12 1 129 . 14 LYS CG C 25.22 0.12 1 130 . 14 LYS CD C 28.75 0.12 1 131 . 14 LYS N N 119.14 0.15 1 132 . 15 THR H H 8.10 0.03 1 133 . 15 THR HA H 3.83 0.03 1 134 . 15 THR HB H 4.24 0.03 1 135 . 15 THR HG2 H 1.18 0.03 1 136 . 15 THR C C 179.31 0.12 1 137 . 15 THR CA C 65.90 0.12 1 138 . 15 THR CB C 68.10 0.12 1 139 . 15 THR CG2 C 21.80 0.12 1 140 . 15 THR N N 116.21 0.15 1 141 . 16 LYS H H 7.90 0.03 1 142 . 16 LYS HA H 4.03 0.03 1 143 . 16 LYS HB2 H 1.86 0.03 1 144 . 16 LYS HB3 H 1.86 0.03 1 145 . 16 LYS HG2 H 1.41 0.03 1 146 . 16 LYS HG3 H 1.41 0.03 1 147 . 16 LYS HD2 H 1.63 0.03 1 148 . 16 LYS HD3 H 1.63 0.03 1 149 . 16 LYS HE2 H 2.94 0.03 1 150 . 16 LYS HE3 H 2.94 0.03 1 151 . 16 LYS C C 175.78 0.12 1 152 . 16 LYS CA C 58.97 0.12 1 153 . 16 LYS CB C 31.80 0.12 1 154 . 16 LYS CG C 24.50 0.12 1 155 . 16 LYS CD C 28.86 0.12 1 156 . 16 LYS N N 123.92 0.15 1 157 . 17 GLU H H 8.04 0.03 1 158 . 17 GLU HA H 3.99 0.03 1 159 . 17 GLU HB2 H 2.04 0.03 1 160 . 17 GLU HB3 H 2.04 0.03 1 161 . 17 GLU HG2 H 2.13 0.03 1 162 . 17 GLU HG3 H 2.35 0.03 1 163 . 17 GLU C C 178.25 0.12 1 164 . 17 GLU CA C 59.30 0.12 1 165 . 17 GLU CB C 29.40 0.12 1 166 . 17 GLU CG C 36.10 0.12 1 167 . 17 GLU N N 118.83 0.15 1 168 . 18 LEU H H 7.71 0.03 1 169 . 18 LEU HA H 4.09 0.03 1 170 . 18 LEU HB2 H 1.53 0.03 1 171 . 18 LEU HB3 H 1.80 0.03 1 172 . 18 LEU HG H 1.53 0.03 1 173 . 18 LEU HD1 H 0.85 0.03 1 174 . 18 LEU HD2 H 0.71 0.03 1 175 . 18 LEU C C 179.01 0.12 1 176 . 18 LEU CA C 57.53 0.12 1 177 . 18 LEU CB C 41.29 0.12 1 178 . 18 LEU CD1 C 23.60 0.12 1 179 . 18 LEU CD2 C 26.16 0.12 1 180 . 18 LEU N N 120.37 0.15 1 181 . 19 SER H H 8.56 0.03 1 182 . 19 SER HA H 4.03 0.03 1 183 . 19 SER HB2 H 3.94 0.03 1 184 . 19 SER HB3 H 3.94 0.03 1 185 . 19 SER C C 178.05 0.12 1 186 . 19 SER CA C 62.20 0.12 1 187 . 19 SER CB C 63.60 0.12 1 188 . 19 SER N N 114.66 0.15 1 189 . 20 ASN H H 8.28 0.03 1 190 . 20 ASN HA H 4.48 0.03 1 191 . 20 ASN HB2 H 2.83 0.03 1 192 . 20 ASN HB3 H 2.96 0.03 1 193 . 20 ASN HD21 H 7.61 0.03 2 194 . 20 ASN HD22 H 6.79 0.03 2 195 . 20 ASN C C 176.94 0.12 1 196 . 20 ASN CA C 55.90 0.12 1 197 . 20 ASN CB C 37.88 0.12 1 198 . 20 ASN N N 119.75 0.15 1 199 . 21 LEU H H 7.99 0.03 1 200 . 21 LEU HA H 4.08 0.03 1 201 . 21 LEU HB2 H 1.39 0.03 1 202 . 21 LEU HB3 H 1.96 0.03 1 203 . 21 LEU HG H 1.77 0.03 1 204 . 21 LEU HD1 H 0.80 0.03 1 205 . 21 LEU HD2 H 0.81 0.03 1 206 . 21 LEU C C 178.05 0.12 1 207 . 21 LEU CA C 58.00 0.12 1 208 . 21 LEU CB C 42.40 0.12 1 209 . 21 LEU CD1 C 25.20 0.12 1 210 . 21 LEU CD2 C 23.90 0.12 1 211 . 21 LEU N N 122.99 0.15 1 212 . 22 ILE H H 8.23 0.03 1 213 . 22 ILE HA H 3.71 0.03 1 214 . 22 ILE HB H 2.06 0.03 1 215 . 22 ILE HG12 H 1.04 0.03 1 216 . 22 ILE HG13 H 1.81 0.03 1 217 . 22 ILE HG2 H 0.95 0.03 1 218 . 22 ILE HD1 H 0.88 0.03 1 219 . 22 ILE C C 178.96 0.12 1 220 . 22 ILE CA C 65.96 0.12 1 221 . 22 ILE CB C 37.55 0.12 1 222 . 22 ILE CG1 C 31.00 0.12 1 223 . 22 ILE CG2 C 17.80 0.12 1 224 . 22 ILE CD1 C 15.00 0.12 1 225 . 22 ILE N N 121.30 0.15 1 226 . 23 GLU H H 8.15 0.03 1 227 . 23 GLU HA H 4.17 0.03 1 228 . 23 GLU HB2 H 2.18 0.03 1 229 . 23 GLU HB3 H 2.18 0.03 1 230 . 23 GLU HG2 H 2.32 0.03 1 231 . 23 GLU HG3 H 2.44 0.03 1 232 . 23 GLU C C 177.55 0.12 1 233 . 23 GLU CA C 59.40 0.12 1 234 . 23 GLU CB C 28.90 0.12 1 235 . 23 GLU CG C 36.00 0.12 1 236 . 23 GLU N N 119.75 0.15 1 237 . 24 THR H H 8.33 0.03 1 238 . 24 THR HA H 4.14 0.03 1 239 . 24 THR HB H 4.54 0.03 1 240 . 24 THR HG2 H 1.33 0.03 1 241 . 24 THR C C 179.61 0.12 1 242 . 24 THR CA C 66.80 0.12 1 243 . 24 THR CB C 68.20 0.12 1 244 . 24 THR CG2 C 21.50 0.12 1 245 . 24 THR N N 118.52 0.15 1 246 . 25 PHE H H 8.65 0.03 1 247 . 25 PHE HA H 4.54 0.03 1 248 . 25 PHE HB2 H 3.32 0.03 1 249 . 25 PHE HB3 H 3.50 0.03 1 250 . 25 PHE HD1 H 7.23 0.03 1 251 . 25 PHE HD2 H 7.23 0.03 1 252 . 25 PHE HE1 H 6.74 0.03 1 253 . 25 PHE HE2 H 6.74 0.03 1 254 . 25 PHE C C 175.99 0.12 1 255 . 25 PHE CA C 58.30 0.12 1 256 . 25 PHE CB C 38.40 0.12 1 257 . 25 PHE N N 123.61 0.15 1 258 . 26 ALA H H 8.81 0.03 1 259 . 26 ALA HA H 3.75 0.03 1 260 . 26 ALA HB H 1.57 0.03 1 261 . 26 ALA C C 178.30 0.12 1 262 . 26 ALA CA C 55.60 0.12 1 263 . 26 ALA CB C 18.10 0.12 1 264 . 26 ALA N N 124.23 0.15 1 265 . 27 GLU H H 8.48 0.03 1 266 . 27 GLU HA H 4.14 0.03 1 267 . 27 GLU HB2 H 2.18 0.03 1 268 . 27 GLU HB3 H 2.18 0.03 1 269 . 27 GLU HG2 H 2.32 0.03 1 270 . 27 GLU HG3 H 2.32 0.03 1 271 . 27 GLU C C 179.96 0.12 1 272 . 27 GLU CA C 59.14 0.12 1 273 . 27 GLU CB C 29.00 0.12 1 274 . 27 GLU CG C 35.10 0.12 1 275 . 27 GLU N N 120.53 0.15 1 276 . 28 GLN H H 8.98 0.03 1 277 . 28 GLN HA H 4.08 0.03 1 278 . 28 GLN HB2 H 2.07 0.03 1 279 . 28 GLN HB3 H 2.36 0.03 1 280 . 28 GLN HG2 H 2.51 0.03 1 281 . 28 GLN HG3 H 2.51 0.03 1 282 . 28 GLN HE22 H 7.02 0.03 1 283 . 28 GLN C C 179.01 0.12 1 284 . 28 GLN CA C 58.80 0.12 1 285 . 28 GLN CB C 28.99 0.12 1 286 . 28 GLN CG C 34.36 0.12 1 287 . 28 GLN N N 118.06 0.15 1 288 . 28 GLN NE2 N 109.60 0.15 1 289 . 29 SER H H 8.30 0.03 1 290 . 29 SER HA H 4.13 0.03 1 291 . 29 SER HB2 H 3.50 0.03 1 292 . 29 SER HB3 H 3.83 0.03 1 293 . 29 SER C C 179.91 0.12 1 294 . 29 SER CA C 62.80 0.12 1 295 . 29 SER CB C 62.80 0.12 1 296 . 29 SER N N 116.98 0.15 1 297 . 30 ARG H H 7.84 0.03 1 298 . 30 ARG HA H 4.12 0.03 1 299 . 30 ARG HB2 H 1.93 0.03 1 300 . 30 ARG HB3 H 2.05 0.03 1 301 . 30 ARG HG2 H 1.52 0.03 1 302 . 30 ARG HG3 H 1.79 0.03 1 303 . 30 ARG HD2 H 3.20 0.03 1 304 . 30 ARG HD3 H 3.20 0.03 1 305 . 30 ARG C C 175.23 0.12 1 306 . 30 ARG CA C 59.72 0.12 1 307 . 30 ARG CB C 30.20 0.12 1 308 . 30 ARG CG C 27.80 0.12 1 309 . 30 ARG CD C 43.26 0.12 1 310 . 30 ARG N N 124.38 0.15 1 311 . 31 VAL H H 8.03 0.03 1 312 . 31 VAL HA H 3.57 0.03 1 313 . 31 VAL HB H 2.12 0.03 1 314 . 31 VAL HG1 H 0.96 0.03 1 315 . 31 VAL HG2 H 1.07 0.03 1 316 . 31 VAL C C 179.41 0.12 1 317 . 31 VAL CA C 66.60 0.12 1 318 . 31 VAL CB C 31.80 0.12 1 319 . 31 VAL CG1 C 21.40 0.12 1 320 . 31 VAL CG2 C 21.40 0.12 1 321 . 31 VAL N N 121.40 0.15 1 322 . 32 LEU H H 7.89 0.03 1 323 . 32 LEU HA H 3.95 0.03 1 324 . 32 LEU HB2 H 1.54 0.03 1 325 . 32 LEU HB3 H 2.17 0.03 1 326 . 32 LEU HG H 1.55 0.03 1 327 . 32 LEU HD1 H 0.79 0.03 1 328 . 32 LEU HD2 H 1.03 0.03 1 329 . 32 LEU C C 178.10 0.12 1 330 . 32 LEU CA C 58.10 0.12 1 331 . 32 LEU CB C 41.20 0.12 1 332 . 32 LEU CD1 C 24.90 0.12 1 333 . 32 LEU CD2 C 27.80 0.12 1 334 . 32 LEU N N 119.80 0.15 1 335 . 33 GLU H H 8.53 0.03 1 336 . 33 GLU HA H 3.75 0.03 1 337 . 33 GLU HB2 H 2.23 0.03 1 338 . 33 GLU HB3 H 2.23 0.03 1 339 . 33 GLU HG2 H 2.15 0.03 1 340 . 33 GLU HG3 H 2.15 0.03 1 341 . 33 GLU C C 178.00 0.12 1 342 . 33 GLU CA C 59.91 0.12 1 343 . 33 GLU CB C 29.50 0.12 1 344 . 33 GLU CG C 35.50 0.12 1 345 . 33 GLU N N 120.06 0.15 1 346 . 34 LYS H H 7.85 0.03 1 347 . 34 LYS HA H 4.03 0.03 1 348 . 34 LYS HB2 H 1.98 0.03 1 349 . 34 LYS HB3 H 1.98 0.03 1 350 . 34 LYS HG2 H 1.42 0.03 1 351 . 34 LYS HG3 H 1.54 0.03 1 352 . 34 LYS HD2 H 1.66 0.03 1 353 . 34 LYS HD3 H 1.66 0.03 1 354 . 34 LYS HE2 H 2.92 0.03 1 355 . 34 LYS HE3 H 2.92 0.03 1 356 . 34 LYS C C 178.35 0.12 1 357 . 34 LYS CA C 59.14 0.12 1 358 . 34 LYS CB C 32.00 0.12 1 359 . 34 LYS CG C 24.70 0.12 1 360 . 34 LYS CD C 29.17 0.12 1 361 . 34 LYS N N 118.83 0.15 1 362 . 35 GLU H H 8.31 0.03 1 363 . 35 GLU HA H 4.36 0.03 1 364 . 35 GLU HB2 H 1.82 0.03 1 365 . 35 GLU HB3 H 2.06 0.03 1 366 . 35 GLU HG2 H 2.05 0.03 1 367 . 35 GLU HG3 H 2.49 0.03 1 368 . 35 GLU C C 179.91 0.12 1 369 . 35 GLU CA C 58.39 0.12 1 370 . 35 GLU CB C 28.60 0.12 1 371 . 35 GLU CG C 35.12 0.12 1 372 . 35 GLU N N 119.45 0.15 1 373 . 36 CYS H H 8.56 0.03 1 374 . 36 CYS HA H 4.14 0.03 1 375 . 36 CYS HB2 H 2.92 0.03 1 376 . 36 CYS HB3 H 3.11 0.03 1 377 . 36 CYS C C 179.36 0.12 1 378 . 36 CYS CA C 63.62 0.12 1 379 . 36 CYS CB C 26.88 0.12 1 380 . 36 CYS N N 115.10 0.15 1 381 . 37 THR H H 7.66 0.03 1 382 . 37 THR HA H 4.07 0.03 1 383 . 37 THR HB H 4.28 0.03 1 384 . 37 THR HG2 H 1.38 0.03 1 385 . 37 THR C C 177.65 0.12 1 386 . 37 THR CA C 64.70 0.12 1 387 . 37 THR CB C 69.40 0.12 1 388 . 37 THR CG2 C 21.50 0.12 1 389 . 37 THR N N 112.20 0.15 1 390 . 38 LYS H H 7.40 0.03 1 391 . 38 LYS HA H 3.98 0.03 1 392 . 38 LYS HB2 H 1.47 0.03 1 393 . 38 LYS HB3 H 2.09 0.03 1 394 . 38 LYS HG2 H 1.25 0.03 1 395 . 38 LYS HG3 H 1.56 0.03 1 396 . 38 LYS HD2 H 1.56 0.03 1 397 . 38 LYS HD3 H 1.77 0.03 1 398 . 38 LYS C C 174.68 0.12 1 399 . 38 LYS CA C 56.86 0.12 1 400 . 38 LYS CB C 34.00 0.12 1 401 . 38 LYS CG C 26.10 0.12 1 402 . 38 LYS CD C 30.05 0.12 1 403 . 38 LYS N N 117.29 0.15 1 404 . 39 ILE H H 7.42 0.03 1 405 . 39 ILE HA H 3.77 0.03 1 406 . 39 ILE HB H 2.16 0.03 1 407 . 39 ILE HG12 H 0.88 0.03 1 408 . 39 ILE HG13 H 1.92 0.03 1 409 . 39 ILE HG2 H 1.67 0.03 1 410 . 39 ILE HD1 H 1.04 0.03 1 411 . 39 ILE C C 178.96 0.12 1 412 . 39 ILE CA C 60.50 0.12 1 413 . 39 ILE CB C 34.70 0.12 1 414 . 39 ILE CG1 C 27.60 0.12 1 415 . 39 ILE CG2 C 17.25 0.12 1 416 . 39 ILE CD1 C 11.20 0.12 1 417 . 39 ILE N N 122.81 0.15 1 418 . 40 GLY H H 9.78 0.03 1 419 . 40 GLY HA2 H 3.15 0.03 1 420 . 40 GLY HA3 H 3.15 0.03 1 421 . 40 GLY C C 176.79 0.12 1 422 . 40 GLY CA C 44.38 0.12 1 423 . 40 GLY N N 116.98 0.15 1 424 . 41 SER H H 7.75 0.03 1 425 . 41 SER HA H 4.83 0.03 1 426 . 41 SER HB2 H 3.84 0.03 1 427 . 41 SER HB3 H 4.29 0.03 1 428 . 41 SER C C 173.06 0.12 1 429 . 41 SER CA C 57.20 0.12 1 430 . 41 SER CB C 67.40 0.12 1 431 . 41 SER N N 116.20 0.15 1 432 . 42 LYS HA H 4.28 0.03 1 433 . 42 LYS HB2 H 1.92 0.03 1 434 . 42 LYS HB3 H 1.92 0.03 1 435 . 42 LYS HG2 H 1.50 0.03 1 436 . 42 LYS HG3 H 1.50 0.03 1 437 . 42 LYS HD2 H 1.70 0.03 1 438 . 42 LYS HD3 H 1.70 0.03 1 439 . 42 LYS HE2 H 2.99 0.03 1 440 . 42 LYS HE3 H 2.99 0.03 1 441 . 42 LYS C C 176.00 0.12 1 442 . 42 LYS CA C 58.10 0.12 1 443 . 42 LYS CB C 31.90 0.12 1 444 . 42 LYS CG C 24.90 0.12 1 445 . 42 LYS CD C 29.10 0.12 1 446 . 43 ARG H H 8.05 0.03 1 447 . 43 ARG HA H 4.41 0.03 1 448 . 43 ARG HB2 H 1.41 0.03 1 449 . 43 ARG HB3 H 2.10 0.03 1 450 . 43 ARG HG2 H 1.62 0.03 1 451 . 43 ARG HG3 H 1.66 0.03 1 452 . 43 ARG HD2 H 3.16 0.03 1 453 . 43 ARG HD3 H 3.16 0.03 1 454 . 43 ARG C C 176.64 0.12 1 455 . 43 ARG CA C 55.50 0.12 1 456 . 43 ARG CB C 30.30 0.12 1 457 . 43 ARG CG C 27.45 0.12 1 458 . 43 ARG CD C 43.30 0.12 1 459 . 43 ARG N N 116.57 0.15 1 460 . 44 ASP H H 7.28 0.03 1 461 . 44 ASP HA H 4.40 0.03 1 462 . 44 ASP HB2 H 2.84 0.03 1 463 . 44 ASP HB3 H 3.02 0.03 1 464 . 44 ASP C C 174.68 0.12 1 465 . 44 ASP CA C 53.50 0.12 1 466 . 44 ASP CB C 41.60 0.12 1 467 . 44 ASP N N 120.99 0.15 1 468 . 45 SER H H 8.50 0.03 1 469 . 45 SER HA H 4.60 0.03 1 470 . 45 SER HB2 H 4.22 0.03 1 471 . 45 SER HB3 H 4.26 0.03 1 472 . 45 SER C C 175.78 0.12 1 473 . 45 SER CA C 57.70 0.12 1 474 . 45 SER CB C 66.05 0.12 1 475 . 45 SER N N 117.90 0.15 1 476 . 46 LYS H H 9.21 0.03 1 477 . 46 LYS HA H 3.97 0.03 1 478 . 46 LYS HB2 H 1.76 0.03 1 479 . 46 LYS HB3 H 1.89 0.03 1 480 . 46 LYS HG2 H 1.42 0.03 1 481 . 46 LYS HG3 H 1.42 0.03 1 482 . 46 LYS HD2 H 1.67 0.03 1 483 . 46 LYS HD3 H 1.67 0.03 1 484 . 46 LYS HE2 H 2.96 0.03 1 485 . 46 LYS HE3 H 2.96 0.03 1 486 . 46 LYS C C 174.17 0.12 1 487 . 46 LYS CA C 59.40 0.12 1 488 . 46 LYS CB C 32.00 0.12 1 489 . 46 LYS CG C 24.60 0.12 1 490 . 46 LYS CD C 29.30 0.12 1 491 . 46 LYS N N 121.40 0.15 1 492 . 47 GLU H H 8.87 0.03 1 493 . 47 GLU HA H 4.03 0.03 1 494 . 47 GLU HB2 H 1.94 0.03 1 495 . 47 GLU HB3 H 2.16 0.03 1 496 . 47 GLU HG2 H 2.23 0.03 1 497 . 47 GLU HG3 H 2.49 0.03 1 498 . 47 GLU C C 178.60 0.12 1 499 . 47 GLU CA C 60.47 0.12 1 500 . 47 GLU CB C 28.50 0.12 1 501 . 47 GLU CG C 37.20 0.12 1 502 . 47 GLU N N 120.99 0.15 1 503 . 48 LEU H H 8.26 0.03 1 504 . 48 LEU HA H 4.22 0.03 1 505 . 48 LEU HB2 H 1.76 0.03 1 506 . 48 LEU HB3 H 2.17 0.03 1 507 . 48 LEU HG H 1.57 0.03 1 508 . 48 LEU HD1 H 1.04 0.03 1 509 . 48 LEU HD2 H 1.08 0.03 1 510 . 48 LEU C C 179.01 0.12 1 511 . 48 LEU CA C 58.10 0.12 1 512 . 48 LEU CB C 41.80 0.12 1 513 . 48 LEU CD1 C 23.60 0.12 1 514 . 48 LEU CD2 C 27.60 0.12 1 515 . 48 LEU N N 124.38 0.15 1 516 . 49 ARG H H 7.64 0.03 1 517 . 49 ARG HA H 4.14 0.03 1 518 . 49 ARG HB2 H 1.82 0.03 1 519 . 49 ARG HB3 H 2.11 0.03 1 520 . 49 ARG HG2 H 1.93 0.03 1 521 . 49 ARG HG3 H 1.93 0.03 1 522 . 49 ARG HD2 H 3.09 0.03 1 523 . 49 ARG HD3 H 3.22 0.03 1 524 . 49 ARG C C 178.50 0.12 1 525 . 49 ARG CA C 59.70 0.12 1 526 . 49 ARG CB C 29.40 0.12 1 527 . 49 ARG CG C 28.90 0.12 1 528 . 49 ARG CD C 44.10 0.12 1 529 . 49 ARG N N 116.82 0.15 1 530 . 50 TYR H H 8.32 0.03 1 531 . 50 TYR HA H 4.23 0.03 1 532 . 50 TYR HB2 H 3.12 0.03 1 533 . 50 TYR HB3 H 3.12 0.03 1 534 . 50 TYR HD1 H 7.08 0.03 1 535 . 50 TYR HD2 H 7.08 0.03 1 536 . 50 TYR HE1 H 6.79 0.03 1 537 . 50 TYR HE2 H 6.79 0.03 1 538 . 50 TYR C C 177.70 0.12 1 539 . 50 TYR CA C 61.50 0.12 1 540 . 50 TYR CB C 38.10 0.12 1 541 . 50 TYR N N 118.83 0.15 1 542 . 51 LYS H H 8.27 0.03 1 543 . 51 LYS HA H 3.97 0.03 1 544 . 51 LYS HB2 H 2.05 0.03 1 545 . 51 LYS HB3 H 2.14 0.03 1 546 . 51 LYS HG2 H 1.23 0.03 1 547 . 51 LYS HG3 H 1.59 0.03 1 548 . 51 LYS HD2 H 1.68 0.03 1 549 . 51 LYS HD3 H 1.68 0.03 1 550 . 51 LYS HE2 H 2.84 0.03 1 551 . 51 LYS HE3 H 2.92 0.03 1 552 . 51 LYS C C 179.06 0.12 1 553 . 51 LYS CA C 59.60 0.12 1 554 . 51 LYS CB C 32.10 0.12 1 555 . 51 LYS CG C 24.70 0.12 1 556 . 51 LYS CD C 29.40 0.12 1 557 . 51 LYS CE C 41.90 0.12 1 558 . 51 LYS N N 123.46 0.15 1 559 . 52 ILE H H 8.60 0.03 1 560 . 52 ILE HA H 3.34 0.03 1 561 . 52 ILE HB H 1.90 0.03 1 562 . 52 ILE HG12 H 0.11 0.03 1 563 . 52 ILE HG13 H 1.88 0.03 1 564 . 52 ILE HG2 H 0.63 0.03 1 565 . 52 ILE HD1 H 0.80 0.03 1 566 . 52 ILE C C 179.66 0.12 1 567 . 52 ILE CA C 66.77 0.12 1 568 . 52 ILE CB C 38.63 0.12 1 569 . 52 ILE CG1 C 30.10 0.12 1 570 . 52 ILE CG2 C 16.42 0.12 1 571 . 52 ILE CD1 C 15.20 0.12 1 572 . 52 ILE N N 121.61 0.15 1 573 . 53 GLU H H 8.32 0.03 1 574 . 53 GLU HA H 3.88 0.03 1 575 . 53 GLU HB2 H 1.97 0.03 1 576 . 53 GLU HB3 H 2.05 0.03 1 577 . 53 GLU HG2 H 2.82 0.03 1 578 . 53 GLU HG3 H 2.51 0.03 1 579 . 53 GLU C C 176.64 0.12 1 580 . 53 GLU CA C 59.35 0.12 1 581 . 53 GLU CB C 30.16 0.12 1 582 . 53 GLU CG C 37.30 0.12 1 583 . 53 GLU N N 114.05 0.15 1 584 . 54 THR H H 8.33 0.03 1 585 . 54 THR HA H 4.32 0.03 1 586 . 54 THR HB H 3.88 0.03 1 587 . 54 THR HG2 H 0.86 0.03 1 588 . 54 THR C C 178.25 0.12 1 589 . 54 THR CA C 62.90 0.12 1 590 . 54 THR CB C 70.00 0.12 1 591 . 54 THR CG2 C 20.60 0.12 1 592 . 54 THR N N 107.50 0.15 1 593 . 55 GLU H H 7.60 0.03 1 594 . 55 GLU HA H 4.59 0.03 1 595 . 55 GLU HB2 H 2.05 0.03 1 596 . 55 GLU HB3 H 2.19 0.03 1 597 . 55 GLU HG2 H 1.98 0.03 1 598 . 55 GLU HG3 H 2.23 0.03 1 599 . 55 GLU C C 174.47 0.12 1 600 . 55 GLU CA C 57.61 0.12 1 601 . 55 GLU CB C 31.96 0.12 1 602 . 55 GLU CG C 35.90 0.12 1 603 . 55 GLU N N 120.68 0.15 1 604 . 56 LEU H H 8.20 0.03 1 605 . 56 LEU HA H 4.15 0.03 1 606 . 56 LEU HB2 H 1.59 0.03 1 607 . 56 LEU HB3 H 2.01 0.03 1 608 . 56 LEU HG H 1.67 0.03 1 609 . 56 LEU HD1 H 0.86 0.03 1 610 . 56 LEU HD2 H 0.86 0.03 1 611 . 56 LEU C C 176.29 0.12 1 612 . 56 LEU CA C 58.90 0.12 1 613 . 56 LEU CB C 41.60 0.12 1 614 . 56 LEU CD1 C 25.80 0.12 1 615 . 56 LEU CD2 C 21.70 0.12 1 616 . 56 LEU N N 117.60 0.15 1 617 . 57 ILE H H 8.96 0.03 1 618 . 57 ILE HA H 4.10 0.03 1 619 . 57 ILE HB H 2.08 0.03 1 620 . 57 ILE HG12 H 0.96 0.03 1 621 . 57 ILE HG13 H 1.63 0.03 1 622 . 57 ILE HG2 H 0.95 0.03 1 623 . 57 ILE HD1 H 0.73 0.03 1 624 . 57 ILE C C 179.71 0.12 1 625 . 57 ILE CA C 67.50 0.12 1 626 . 57 ILE CB C 36.10 0.12 1 627 . 57 ILE CG1 C 31.90 0.12 1 628 . 57 ILE CG2 C 16.00 0.12 1 629 . 57 ILE CD1 C 13.50 0.12 1 630 . 57 ILE N N 119.29 0.15 1 631 . 58 PRO HA H 4.25 0.03 1 632 . 58 PRO HB2 H 1.64 0.03 1 633 . 58 PRO HB3 H 2.25 0.03 1 634 . 58 PRO HG2 H 1.80 0.03 1 635 . 58 PRO HG3 H 1.91 0.03 1 636 . 58 PRO HD2 H 2.86 0.03 1 637 . 58 PRO HD3 H 3.50 0.03 1 638 . 58 PRO C C 175.70 0.12 1 639 . 58 PRO CA C 66.01 0.12 1 640 . 58 PRO CB C 30.57 0.12 1 641 . 58 PRO CG C 28.83 0.12 1 642 . 58 PRO CD C 49.09 0.12 1 643 . 59 ASN H H 7.78 0.03 1 644 . 59 ASN HA H 4.49 0.03 1 645 . 59 ASN HB2 H 2.85 0.03 1 646 . 59 ASN HB3 H 3.05 0.03 1 647 . 59 ASN C C 179.11 0.12 1 648 . 59 ASN CA C 55.90 0.12 1 649 . 59 ASN CB C 37.60 0.12 1 650 . 59 ASN N N 115.74 0.15 1 651 . 59 ASN ND2 N 111.00 0.15 1 652 . 60 CYS H H 8.07 0.03 1 653 . 60 CYS HA H 4.01 0.03 1 654 . 60 CYS HB2 H 2.33 0.03 1 655 . 60 CYS HB3 H 3.32 0.03 1 656 . 60 CYS C C 177.80 0.12 1 657 . 60 CYS CA C 64.32 0.12 1 658 . 60 CYS CB C 27.16 0.12 1 659 . 60 CYS N N 120.37 0.15 1 660 . 61 THR H H 8.88 0.03 1 661 . 61 THR HA H 3.52 0.03 1 662 . 61 THR HB H 4.23 0.03 1 663 . 61 THR HG2 H 1.21 0.03 1 664 . 61 THR C C 176.44 0.12 1 665 . 61 THR CA C 66.51 0.12 1 666 . 61 THR CB C 68.60 0.12 1 667 . 61 THR CG2 C 22.39 0.12 1 668 . 61 THR N N 115.90 0.15 1 669 . 62 SER H H 8.19 0.03 1 670 . 62 SER HA H 4.18 0.03 1 671 . 62 SER HB2 H 3.98 0.03 1 672 . 62 SER HB3 H 3.98 0.03 1 673 . 62 SER C C 175.03 0.12 1 674 . 62 SER CA C 61.35 0.12 1 675 . 62 SER CB C 62.80 0.12 1 676 . 62 SER N N 115.44 0.15 1 677 . 63 VAL H H 7.41 0.03 1 678 . 63 VAL HA H 3.71 0.03 1 679 . 63 VAL HB H 2.10 0.03 1 680 . 63 VAL HG1 H 0.94 0.03 1 681 . 63 VAL HG2 H 1.04 0.03 1 682 . 63 VAL C C 177.34 0.12 1 683 . 63 VAL CA C 65.90 0.12 1 684 . 63 VAL CB C 31.30 0.12 1 685 . 63 VAL CG1 C 21.90 0.12 1 686 . 63 VAL CG2 C 21.90 0.12 1 687 . 63 VAL N N 121.00 0.15 1 688 . 64 ARG H H 7.77 0.03 1 689 . 64 ARG HA H 3.11 0.03 1 690 . 64 ARG HB2 H 1.20 0.03 1 691 . 64 ARG HB3 H 2.04 0.03 1 692 . 64 ARG HG2 H 1.54 0.03 1 693 . 64 ARG HG3 H 1.61 0.03 1 694 . 64 ARG HD2 H 2.96 0.03 1 695 . 64 ARG HD3 H 3.37 0.03 1 696 . 64 ARG C C 176.44 0.12 1 697 . 64 ARG CA C 59.70 0.12 1 698 . 64 ARG CB C 29.01 0.12 1 699 . 64 ARG CG C 25.60 0.12 1 700 . 64 ARG CD C 43.26 0.12 1 701 . 64 ARG N N 121.45 0.15 1 702 . 65 ASP H H 8.43 0.03 1 703 . 65 ASP HA H 4.35 0.03 1 704 . 65 ASP HB2 H 2.63 0.03 1 705 . 65 ASP HB3 H 2.70 0.03 1 706 . 65 ASP C C 177.85 0.12 1 707 . 65 ASP CA C 56.90 0.12 1 708 . 65 ASP CB C 39.20 0.12 1 709 . 65 ASP N N 117.90 0.15 1 710 . 66 LYS H H 7.75 0.03 1 711 . 66 LYS HA H 3.97 0.03 1 712 . 66 LYS HB2 H 1.83 0.03 1 713 . 66 LYS HB3 H 1.93 0.03 1 714 . 66 LYS HG2 H 1.36 0.03 1 715 . 66 LYS HG3 H 1.55 0.03 1 716 . 66 LYS HD2 H 1.56 0.03 1 717 . 66 LYS HD3 H 1.56 0.03 1 718 . 66 LYS HE2 H 2.88 0.03 1 719 . 66 LYS HE3 H 2.88 0.03 1 720 . 66 LYS C C 178.85 0.12 1 721 . 66 LYS CA C 59.15 0.12 1 722 . 66 LYS CB C 32.60 0.12 1 723 . 66 LYS CG C 25.20 0.12 1 724 . 66 LYS CD C 29.30 0.12 1 725 . 66 LYS N N 122.22 0.15 1 726 . 67 ILE H H 7.90 0.03 1 727 . 67 ILE HA H 3.15 0.03 1 728 . 67 ILE HB H 1.37 0.03 1 729 . 67 ILE HG12 H -0.36 0.03 1 730 . 67 ILE HG13 H 1.67 0.03 1 731 . 67 ILE HG2 H 0.41 0.03 1 732 . 67 ILE HD1 H 0.61 0.03 1 733 . 67 ILE C C 179.46 0.12 1 734 . 67 ILE CA C 65.40 0.12 1 735 . 67 ILE CB C 37.30 0.12 1 736 . 67 ILE CG1 C 30.40 0.12 1 737 . 67 ILE CG2 C 16.60 0.12 1 738 . 67 ILE CD1 C 15.50 0.12 1 739 . 67 ILE N N 121.61 0.15 1 740 . 68 GLU H H 8.04 0.03 1 741 . 68 GLU HA H 3.77 0.03 1 742 . 68 GLU HB2 H 2.13 0.03 1 743 . 68 GLU HB3 H 2.32 0.03 1 744 . 68 GLU HG2 H 2.42 0.03 1 745 . 68 GLU HG3 H 2.42 0.03 1 746 . 68 GLU C C 176.94 0.12 1 747 . 68 GLU CA C 58.52 0.12 1 748 . 68 GLU CB C 30.41 0.12 1 749 . 68 GLU CG C 35.74 0.12 1 750 . 68 GLU N N 116.67 0.15 1 751 . 69 SER H H 7.22 0.03 1 752 . 69 SER HA H 4.33 0.03 1 753 . 69 SER HB2 H 3.91 0.03 1 754 . 69 SER HB3 H 3.99 0.03 1 755 . 69 SER C C 177.29 0.12 1 756 . 69 SER CA C 58.70 0.12 1 757 . 69 SER CB C 63.70 0.12 1 758 . 69 SER N N 109.00 0.15 1 759 . 70 ASN H H 7.78 0.03 1 760 . 70 ASN HA H 4.59 0.03 1 761 . 70 ASN HB2 H 2.59 0.03 1 762 . 70 ASN HB3 H 2.95 0.03 1 763 . 70 ASN C C 173.42 0.12 1 764 . 70 ASN CA C 53.21 0.12 1 765 . 70 ASN CB C 40.19 0.12 1 766 . 70 ASN N N 123.77 0.15 1 767 . 70 ASN ND2 N 113.60 0.15 1 768 . 71 ILE H H 8.53 0.03 1 769 . 71 ILE HA H 4.05 0.03 1 770 . 71 ILE HB H 1.96 0.03 1 771 . 71 ILE HG12 H 0.97 0.03 1 772 . 71 ILE HG13 H 1.44 0.03 1 773 . 71 ILE HG2 H 1.32 0.03 1 774 . 71 ILE HD1 H 0.87 0.03 1 775 . 71 ILE C C 176.34 0.12 1 776 . 71 ILE CA C 63.30 0.12 1 777 . 71 ILE CB C 38.40 0.12 1 778 . 71 ILE CG1 C 27.80 0.12 1 779 . 71 ILE CG2 C 17.60 0.12 1 780 . 71 ILE CD1 C 13.90 0.12 1 781 . 71 ILE N N 125.00 0.15 1 782 . 72 LEU H H 8.33 0.03 1 783 . 72 LEU HA H 4.08 0.03 1 784 . 72 LEU HB2 H 1.37 0.03 1 785 . 72 LEU HB3 H 1.65 0.03 1 786 . 72 LEU HG H 1.66 0.03 1 787 . 72 LEU HD1 H 0.86 0.03 1 788 . 72 LEU HD2 H 0.81 0.03 1 789 . 72 LEU C C 177.04 0.12 1 790 . 72 LEU CA C 56.70 0.12 1 791 . 72 LEU CB C 41.80 0.12 1 792 . 72 LEU CD1 C 25.40 0.12 1 793 . 72 LEU CD2 C 22.80 0.12 1 794 . 72 LEU N N 120.53 0.15 1 795 . 73 ILE H H 7.76 0.03 1 796 . 73 ILE HA H 3.95 0.03 1 797 . 73 ILE HB H 1.67 0.03 1 798 . 73 ILE HG12 H 0.56 0.03 1 799 . 73 ILE HG13 H 1.28 0.03 1 800 . 73 ILE HG2 H 1.05 0.03 1 801 . 73 ILE HD1 H 0.63 0.03 1 802 . 73 ILE C C 179.56 0.12 1 803 . 73 ILE CA C 60.62 0.12 1 804 . 73 ILE CB C 38.20 0.12 1 805 . 73 ILE CG1 C 28.83 0.12 1 806 . 73 ILE CG2 C 17.80 0.12 1 807 . 73 ILE CD1 C 13.80 0.12 1 808 . 73 ILE N N 118.52 0.15 1 809 . 74 HIS H H 7.24 0.03 1 810 . 74 HIS HA H 4.60 0.03 1 811 . 74 HIS HB2 H 3.06 0.03 1 812 . 74 HIS HB3 H 3.34 0.03 1 813 . 74 HIS HD2 H 7.14 0.03 1 814 . 74 HIS HE1 H 8.08 0.03 1 815 . 74 HIS C C 175.53 0.12 1 816 . 74 HIS CA C 55.85 0.12 1 817 . 74 HIS CB C 29.55 0.12 1 818 . 74 HIS N N 116.90 0.15 1 819 . 75 GLN H H 7.50 0.03 1 820 . 75 GLN HA H 4.40 0.03 1 821 . 75 GLN HB2 H 1.95 0.03 1 822 . 75 GLN HB3 H 2.21 0.03 1 823 . 75 GLN HG2 H 2.37 0.03 1 824 . 75 GLN HG3 H 2.37 0.03 1 825 . 75 GLN HE22 H 7.41 0.03 1 826 . 75 GLN C C 175.43 0.12 1 827 . 75 GLN CA C 55.40 0.12 1 828 . 75 GLN CB C 29.80 0.12 1 829 . 75 GLN CG C 33.60 0.12 1 830 . 75 GLN N N 116.67 0.15 1 831 . 75 GLN NE2 N 111.40 0.15 1 832 . 76 ASN H H 7.87 0.03 1 833 . 76 ASN HA H 4.78 0.03 1 834 . 76 ASN HB2 H 2.63 0.03 1 835 . 76 ASN HB3 H 2.86 0.03 1 836 . 76 ASN C C 174.93 0.12 1 837 . 76 ASN CA C 53.04 0.12 1 838 . 76 ASN CB C 39.29 0.12 1 839 . 76 ASN N N 119.45 0.15 1 840 . 76 ASN ND2 N 114.20 0.15 1 841 . 77 GLY H H 8.60 0.03 1 842 . 77 GLY HA2 H 4.03 0.03 1 843 . 77 GLY HA3 H 4.03 0.03 1 844 . 77 GLY C C 174.62 0.12 1 845 . 77 GLY CA C 46.60 0.12 1 846 . 77 GLY N N 112.90 0.15 1 847 . 78 LYS H H 8.21 0.03 1 848 . 78 LYS HA H 4.15 0.03 1 849 . 78 LYS HB2 H 1.89 0.03 1 850 . 78 LYS HB3 H 1.89 0.03 1 851 . 78 LYS HG2 H 1.45 0.03 1 852 . 78 LYS HG3 H 1.45 0.03 1 853 . 78 LYS HD2 H 1.62 0.03 1 854 . 78 LYS HD3 H 1.69 0.03 1 855 . 78 LYS C C 175.13 0.12 1 856 . 78 LYS CA C 59.40 0.12 1 857 . 78 LYS CB C 32.50 0.12 1 858 . 78 LYS CG C 25.00 0.12 1 859 . 78 LYS CD C 28.80 0.12 1 860 . 78 LYS N N 123.15 0.15 1 861 . 79 LEU H H 7.95 0.03 1 862 . 79 LEU HA H 4.17 0.03 1 863 . 79 LEU HB2 H 1.28 0.03 1 864 . 79 LEU HB3 H 1.67 0.03 1 865 . 79 LEU HG H 1.65 0.03 1 866 . 79 LEU HD1 H 0.83 0.03 1 867 . 79 LEU HD2 H 0.85 0.03 1 868 . 79 LEU C C 178.20 0.12 1 869 . 79 LEU CA C 57.60 0.12 1 870 . 79 LEU CB C 40.87 0.12 1 871 . 79 LEU CD1 C 25.77 0.12 1 872 . 79 LEU CD2 C 22.47 0.12 1 873 . 79 LEU N N 117.60 0.15 1 874 . 80 SER H H 8.26 0.03 1 875 . 80 SER HA H 4.12 0.03 1 876 . 80 SER HB2 H 4.23 0.03 1 877 . 80 SER HB3 H 4.23 0.03 1 878 . 80 SER C C 179.06 0.12 1 879 . 80 SER CA C 61.60 0.12 1 880 . 80 SER CB C 61.80 0.12 1 881 . 80 SER N N 112.66 0.15 1 882 . 81 ALA H H 7.87 0.03 1 883 . 81 ALA HA H 4.17 0.03 1 884 . 81 ALA HB H 1.56 0.03 1 885 . 81 ALA C C 177.24 0.12 1 886 . 81 ALA CA C 55.20 0.12 1 887 . 81 ALA CB C 18.00 0.12 1 888 . 81 ALA N N 124.38 0.15 1 889 . 82 ASP H H 8.47 0.03 1 890 . 82 ASP HA H 4.48 0.03 1 891 . 82 ASP HB2 H 2.60 0.03 1 892 . 82 ASP HB3 H 2.95 0.03 1 893 . 82 ASP C C 180.37 0.12 1 894 . 82 ASP CA C 57.10 0.12 1 895 . 82 ASP CB C 39.80 0.12 1 896 . 82 ASP N N 120.06 0.15 1 897 . 83 PHE H H 8.79 0.03 1 898 . 83 PHE HA H 4.54 0.03 1 899 . 83 PHE HB2 H 3.23 0.03 1 900 . 83 PHE HB3 H 3.27 0.03 1 901 . 83 PHE HD1 H 7.30 0.03 1 902 . 83 PHE HD2 H 7.30 0.03 1 903 . 83 PHE HE1 H 7.15 0.03 1 904 . 83 PHE HE2 H 7.15 0.03 1 905 . 83 PHE C C 179.56 0.12 1 906 . 83 PHE CA C 60.16 0.12 1 907 . 83 PHE CB C 39.30 0.12 1 908 . 83 PHE N N 119.60 0.15 1 909 . 84 LYS H H 8.63 0.03 1 910 . 84 LYS HA H 3.57 0.03 1 911 . 84 LYS HB2 H 1.96 0.03 1 912 . 84 LYS HB3 H 1.96 0.03 1 913 . 84 LYS HG2 H 1.37 0.03 1 914 . 84 LYS HG3 H 1.60 0.03 1 915 . 84 LYS HD2 H 1.66 0.03 1 916 . 84 LYS HD3 H 1.66 0.03 1 917 . 84 LYS HE2 H 2.96 0.03 1 918 . 84 LYS HE3 H 2.96 0.03 1 919 . 84 LYS C C 176.54 0.12 1 920 . 84 LYS CA C 60.40 0.12 1 921 . 84 LYS CB C 31.90 0.12 1 922 . 84 LYS CG C 25.33 0.12 1 923 . 84 LYS CD C 29.34 0.12 1 924 . 84 LYS N N 120.22 0.15 1 925 . 85 ASN H H 7.82 0.03 1 926 . 85 ASN HA H 4.48 0.03 1 927 . 85 ASN HB2 H 2.93 0.03 1 928 . 85 ASN HB3 H 2.87 0.03 1 929 . 85 ASN C C 179.16 0.12 1 930 . 85 ASN CA C 56.20 0.12 1 931 . 85 ASN CB C 38.00 0.12 1 932 . 85 ASN N N 117.44 0.15 1 933 . 85 ASN ND2 N 113.40 0.15 1 934 . 86 LEU H H 8.07 0.03 1 935 . 86 LEU HA H 3.96 0.03 1 936 . 86 LEU HB2 H 1.05 0.03 1 937 . 86 LEU HB3 H 2.01 0.03 1 938 . 86 LEU HG H 1.86 0.03 1 939 . 86 LEU HD1 H 0.95 0.03 1 940 . 86 LEU HD2 H 0.70 0.03 1 941 . 86 LEU C C 177.95 0.12 1 942 . 86 LEU CA C 57.57 0.12 1 943 . 86 LEU CB C 42.70 0.12 1 944 . 86 LEU CD1 C 27.70 0.12 1 945 . 86 LEU CD2 C 22.50 0.12 1 946 . 86 LEU N N 121.00 0.15 1 947 . 87 LYS H H 9.04 0.03 1 948 . 87 LYS HA H 3.99 0.03 1 949 . 87 LYS HB2 H 1.62 0.03 1 950 . 87 LYS HB3 H 1.62 0.03 1 951 . 87 LYS HG2 H 0.98 0.03 1 952 . 87 LYS HG3 H 1.05 0.03 1 953 . 87 LYS HD2 H 1.40 0.03 1 954 . 87 LYS HD3 H 1.40 0.03 1 955 . 87 LYS HE2 H 2.20 0.03 1 956 . 87 LYS HE3 H 2.71 0.03 1 957 . 87 LYS C C 179.96 0.12 1 958 . 87 LYS CA C 61.55 0.12 1 959 . 87 LYS CB C 32.05 0.12 1 960 . 87 LYS CG C 26.30 0.12 1 961 . 87 LYS CD C 29.70 0.12 1 962 . 87 LYS CE C 40.86 0.12 1 963 . 87 LYS N N 121.76 0.15 1 964 . 88 THR H H 8.07 0.03 1 965 . 88 THR HA H 3.96 0.03 1 966 . 88 THR HB H 4.30 0.03 1 967 . 88 THR HG2 H 1.25 0.03 1 968 . 88 THR C C 179.10 0.12 1 969 . 88 THR CA C 66.20 0.12 1 970 . 88 THR CB C 68.40 0.12 1 971 . 88 THR CG2 C 21.67 0.12 1 972 . 88 THR N N 117.75 0.15 1 973 . 89 LYS H H 7.85 0.03 1 974 . 89 LYS HA H 4.09 0.03 1 975 . 89 LYS HB2 H 1.88 0.03 1 976 . 89 LYS HB3 H 1.88 0.03 1 977 . 89 LYS HG2 H 1.43 0.03 1 978 . 89 LYS HG3 H 1.43 0.03 1 979 . 89 LYS HD2 H 1.64 0.03 1 980 . 89 LYS HD3 H 1.64 0.03 1 981 . 89 LYS HE2 H 2.86 0.03 1 982 . 89 LYS HE3 H 2.86 0.03 1 983 . 89 LYS C C 176.69 0.12 1 984 . 89 LYS CA C 58.90 0.12 1 985 . 89 LYS CB C 31.70 0.12 1 986 . 89 LYS CG C 24.80 0.12 1 987 . 89 LYS CD C 28.80 0.12 1 988 . 89 LYS N N 122.84 0.15 1 989 . 90 TYR H H 8.64 0.03 1 990 . 90 TYR HA H 4.28 0.03 1 991 . 90 TYR HB2 H 3.09 0.03 1 992 . 90 TYR HB3 H 3.24 0.03 1 993 . 90 TYR HD1 H 7.14 0.03 1 994 . 90 TYR HD2 H 7.14 0.03 1 995 . 90 TYR HE1 H 6.64 0.03 1 996 . 90 TYR HE2 H 6.64 0.03 1 997 . 90 TYR C C 178.60 0.12 1 998 . 90 TYR CA C 60.70 0.12 1 999 . 90 TYR CB C 38.60 0.12 1 1000 . 90 TYR N N 120.68 0.15 1 1001 . 91 GLN H H 8.23 0.03 1 1002 . 91 GLN HA H 3.86 0.03 1 1003 . 91 GLN HB2 H 2.18 0.03 1 1004 . 91 GLN HB3 H 2.18 0.03 1 1005 . 91 GLN HG2 H 2.42 0.03 1 1006 . 91 GLN HG3 H 2.42 0.03 1 1007 . 91 GLN HE22 H 7.41 0.03 1 1008 . 91 GLN C C 177.04 0.12 1 1009 . 91 GLN CA C 58.95 0.12 1 1010 . 91 GLN CB C 28.09 0.12 1 1011 . 91 GLN CG C 33.69 0.12 1 1012 . 91 GLN N N 119.45 0.15 1 1013 . 91 GLN NE2 N 111.40 0.15 1 1014 . 92 SER H H 7.81 0.03 1 1015 . 92 SER HA H 4.25 0.03 1 1016 . 92 SER HB2 H 4.02 0.03 1 1017 . 92 SER HB3 H 4.02 0.03 1 1018 . 92 SER C C 178.75 0.12 1 1019 . 92 SER CA C 61.50 0.12 1 1020 . 92 SER CB C 62.50 0.12 1 1021 . 92 SER N N 114.82 0.15 1 1022 . 93 LEU H H 8.34 0.03 1 1023 . 93 LEU HA H 4.14 0.03 1 1024 . 93 LEU HB2 H 1.48 0.03 1 1025 . 93 LEU HB3 H 2.00 0.03 1 1026 . 93 LEU HG H 1.81 0.03 1 1027 . 93 LEU HD1 H 0.95 0.03 1 1028 . 93 LEU HD2 H 0.89 0.03 1 1029 . 93 LEU C C 176.84 0.12 1 1030 . 93 LEU CA C 57.60 0.12 1 1031 . 93 LEU CB C 42.00 0.12 1 1032 . 93 LEU CD1 C 25.80 0.12 1 1033 . 93 LEU CD2 C 24.00 0.12 1 1034 . 93 LEU N N 124.54 0.15 1 1035 . 94 GLN H H 8.12 0.03 1 1036 . 94 GLN HA H 3.77 0.03 1 1037 . 94 GLN HB2 H 1.90 0.03 1 1038 . 94 GLN HB3 H 1.98 0.03 1 1039 . 94 GLN HG2 H 1.90 0.03 1 1040 . 94 GLN HG3 H 2.07 0.03 1 1041 . 94 GLN HE22 H 6.57 0.03 1 1042 . 94 GLN C C 179.16 0.12 1 1043 . 94 GLN CA C 60.10 0.12 1 1044 . 94 GLN CB C 29.30 0.12 1 1045 . 94 GLN CG C 34.90 0.12 1 1046 . 94 GLN N N 118.52 0.15 1 1047 . 94 GLN NE2 N 110.20 0.15 1 1048 . 95 GLN H H 7.92 0.03 1 1049 . 95 GLN HA H 4.11 0.03 1 1050 . 95 GLN HB2 H 2.15 0.03 1 1051 . 95 GLN HB3 H 2.15 0.03 1 1052 . 95 GLN HG2 H 2.37 0.03 1 1053 . 95 GLN HG3 H 2.48 0.03 1 1054 . 95 GLN HE22 H 7.39 0.03 1 1055 . 95 GLN C C 178.10 0.12 1 1056 . 95 GLN CA C 58.92 0.12 1 1057 . 95 GLN CB C 28.27 0.12 1 1058 . 95 GLN CG C 33.78 0.12 1 1059 . 95 GLN N N 118.52 0.15 1 1060 . 95 GLN NE2 N 111.50 0.15 1 1061 . 96 SER H H 8.52 0.03 1 1062 . 96 SER HA H 4.25 0.03 1 1063 . 96 SER HB2 H 4.04 0.03 1 1064 . 96 SER HB3 H 4.04 0.03 1 1065 . 96 SER C C 178.60 0.12 1 1066 . 96 SER CA C 61.30 0.12 1 1067 . 96 SER CB C 62.80 0.12 1 1068 . 96 SER N N 116.00 0.15 1 1069 . 97 TYR H H 8.50 0.03 1 1070 . 97 TYR HA H 4.23 0.03 1 1071 . 97 TYR HB2 H 2.99 0.03 1 1072 . 97 TYR HB3 H 3.36 0.03 1 1073 . 97 TYR HD1 H 7.02 0.03 1 1074 . 97 TYR HD2 H 7.02 0.03 1 1075 . 97 TYR HE1 H 6.73 0.03 1 1076 . 97 TYR HE2 H 6.73 0.03 1 1077 . 97 TYR C C 176.64 0.12 1 1078 . 97 TYR CA C 61.74 0.12 1 1079 . 97 TYR CB C 37.70 0.12 1 1080 . 97 TYR N N 122.53 0.15 1 1081 . 98 ASN H H 7.80 0.03 1 1082 . 98 ASN HA H 3.94 0.03 1 1083 . 98 ASN HB2 H 2.71 0.03 1 1084 . 98 ASN HB3 H 2.83 0.03 1 1085 . 98 ASN HD21 H 7.43 0.03 2 1086 . 98 ASN HD22 H 6.98 0.03 2 1087 . 98 ASN C C 176.14 0.12 1 1088 . 98 ASN CA C 56.50 0.12 1 1089 . 98 ASN CB C 38.10 0.12 1 1090 . 98 ASN N N 115.90 0.15 1 1091 . 99 GLN H H 8.12 0.03 1 1092 . 99 GLN HA H 4.04 0.03 1 1093 . 99 GLN HB2 H 2.16 0.03 1 1094 . 99 GLN HB3 H 2.16 0.03 1 1095 . 99 GLN HG2 H 2.26 0.03 1 1096 . 99 GLN HG3 H 2.46 0.03 1 1097 . 99 GLN HE22 H 7.32 0.03 1 1098 . 99 GLN C C 178.00 0.12 1 1099 . 99 GLN CA C 58.61 0.12 1 1100 . 99 GLN CB C 28.56 0.12 1 1101 . 99 GLN CG C 33.50 0.12 1 1102 . 99 GLN N N 119.14 0.15 1 1103 . 99 GLN NE2 N 111.10 0.15 1 1104 . 100 ARG H H 8.77 0.03 1 1105 . 100 ARG HA H 3.96 0.03 1 1106 . 100 ARG HB2 H 1.91 0.03 1 1107 . 100 ARG HB3 H 1.83 0.03 1 1108 . 100 ARG HG2 H 1.73 0.03 1 1109 . 100 ARG HG3 H 2.03 0.03 1 1110 . 100 ARG HD2 H 3.20 0.03 1 1111 . 100 ARG HD3 H 3.20 0.03 1 1112 . 100 ARG C C 178.70 0.12 1 1113 . 100 ARG CA C 59.90 0.12 1 1114 . 100 ARG CB C 29.80 0.12 1 1115 . 100 ARG CG C 28.83 0.12 1 1116 . 100 ARG CD C 43.56 0.12 1 1117 . 100 ARG N N 120.68 0.15 1 1118 . 101 LYS H H 8.46 0.03 1 1119 . 101 LYS HA H 3.83 0.03 1 1120 . 101 LYS HB2 H 1.36 0.03 1 1121 . 101 LYS HB3 H 1.63 0.03 1 1122 . 101 LYS HG2 H 1.08 0.03 1 1123 . 101 LYS HG3 H 1.18 0.03 1 1124 . 101 LYS HD2 H 1.48 0.03 1 1125 . 101 LYS HD3 H 1.48 0.03 1 1126 . 101 LYS HE2 H 2.70 0.03 1 1127 . 101 LYS HE3 H 2.85 0.03 1 1128 . 101 LYS C C 178.25 0.12 1 1129 . 101 LYS CA C 59.46 0.12 1 1130 . 101 LYS CB C 31.13 0.12 1 1131 . 101 LYS CG C 24.35 0.12 1 1132 . 101 LYS CD C 29.61 0.12 1 1133 . 101 LYS CE C 41.90 0.12 1 1134 . 101 LYS N N 117.29 0.15 1 1135 . 102 SER H H 7.08 0.03 1 1136 . 102 SER HA H 4.16 0.03 1 1137 . 102 SER HB2 H 3.87 0.03 1 1138 . 102 SER HB3 H 3.87 0.03 1 1139 . 102 SER C C 178.20 0.12 1 1140 . 102 SER CA C 60.23 0.12 1 1141 . 102 SER CB C 63.00 0.12 1 1142 . 102 SER N N 113.43 0.15 1 1143 . 103 LEU H H 7.42 0.03 1 1144 . 103 LEU HA H 3.95 0.03 1 1145 . 103 LEU HB2 H 0.91 0.03 1 1146 . 103 LEU HB3 H 1.43 0.03 1 1147 . 103 LEU HG H 1.36 0.03 1 1148 . 103 LEU HD1 H 0.73 0.03 1 1149 . 103 LEU HD2 H 0.65 0.03 1 1150 . 103 LEU C C 175.03 0.12 1 1151 . 103 LEU CA C 55.91 0.12 1 1152 . 103 LEU CB C 42.90 0.12 1 1153 . 103 LEU CD1 C 24.59 0.12 1 1154 . 103 LEU CD2 C 22.86 0.12 1 1155 . 103 LEU N N 121.45 0.15 1 1156 . 104 PHE H H 7.35 0.03 1 1157 . 104 PHE HA H 5.01 0.03 1 1158 . 104 PHE HB2 H 2.69 0.03 1 1159 . 104 PHE HB3 H 3.04 0.03 1 1160 . 104 PHE HD1 H 7.35 0.03 1 1161 . 104 PHE HD2 H 7.35 0.03 1 1162 . 104 PHE HE1 H 7.24 0.03 1 1163 . 104 PHE HE2 H 7.24 0.03 1 1164 . 104 PHE C C 176.34 0.12 1 1165 . 104 PHE CA C 54.50 0.12 1 1166 . 104 PHE CB C 38.97 0.12 1 1167 . 104 PHE N N 116.36 0.15 1 1168 . 105 PRO HA H 4.53 0.03 1 1169 . 105 PRO HB2 H 1.84 0.03 1 1170 . 105 PRO HB3 H 2.24 0.03 1 1171 . 105 PRO HG2 H 1.94 0.03 1 1172 . 105 PRO HG3 H 1.94 0.03 1 1173 . 105 PRO HD2 H 3.36 0.03 1 1174 . 105 PRO HD3 H 3.57 0.03 1 1175 . 105 PRO C C 172.00 0.12 1 1176 . 105 PRO CA C 62.73 0.12 1 1177 . 105 PRO CB C 31.90 0.12 1 1178 . 105 PRO CG C 27.20 0.12 1 1179 . 105 PRO CD C 50.10 0.12 1 1180 . 106 LEU H H 8.45 0.03 1 1181 . 106 LEU HA H 4.33 0.03 1 1182 . 106 LEU HB2 H 1.43 0.03 1 1183 . 106 LEU HB3 H 1.61 0.03 1 1184 . 106 LEU HG H 1.59 0.03 1 1185 . 106 LEU HD1 H 0.80 0.03 1 1186 . 106 LEU HD2 H 0.76 0.03 1 1187 . 106 LEU C C 177.40 0.12 1 1188 . 106 LEU CA C 54.50 0.12 1 1189 . 106 LEU CB C 42.30 0.12 1 1190 . 106 LEU CD1 C 25.10 0.12 1 1191 . 106 LEU CD2 C 22.70 0.12 1 1192 . 106 LEU N N 122.38 0.15 1 1193 . 107 LYS H H 8.41 0.03 1 1194 . 107 LYS HA H 4.37 0.03 1 1195 . 107 LYS HB2 H 1.71 0.03 1 1196 . 107 LYS HB3 H 1.79 0.03 1 1197 . 107 LYS HG2 H 1.37 0.03 1 1198 . 107 LYS HG3 H 1.42 0.03 1 1199 . 107 LYS HD2 H 1.66 0.03 1 1200 . 107 LYS HD3 H 1.66 0.03 1 1201 . 107 LYS HE2 H 2.96 0.03 1 1202 . 107 LYS HE3 H 2.96 0.03 1 1203 . 107 LYS C C 177.24 0.12 1 1204 . 107 LYS CA C 55.78 0.12 1 1205 . 107 LYS CB C 33.10 0.12 1 1206 . 107 LYS CG C 24.64 0.12 1 1207 . 107 LYS CD C 29.00 0.12 1 1208 . 107 LYS N N 122.99 0.15 1 1209 . 108 THR H H 8.25 0.03 1 1210 . 108 THR HA H 4.55 0.03 1 1211 . 108 THR HB H 4.11 0.03 1 1212 . 108 THR HG2 H 1.23 0.03 1 1213 . 108 THR C C 176.29 0.12 1 1214 . 108 THR CA C 59.70 0.12 1 1215 . 108 THR CB C 69.70 0.12 1 1216 . 108 THR CG2 C 21.50 0.12 1 1217 . 108 THR N N 118.98 0.15 1 1218 . 109 PRO HA H 4.43 0.03 1 1219 . 109 PRO HB2 H 1.87 0.03 1 1220 . 109 PRO HB3 H 2.28 0.03 1 1221 . 109 PRO HG2 H 2.00 0.03 1 1222 . 109 PRO HG3 H 2.00 0.03 1 1223 . 109 PRO HD2 H 3.71 0.03 1 1224 . 109 PRO HD3 H 3.85 0.03 1 1225 . 109 PRO C C 172.80 0.12 1 1226 . 109 PRO CA C 62.90 0.12 1 1227 . 109 PRO CB C 32.10 0.12 1 1228 . 109 PRO CG C 27.20 0.12 1 1229 . 109 PRO CD C 51.00 0.12 1 1230 . 110 ILE H H 8.19 0.03 1 1231 . 110 ILE HA H 4.13 0.03 1 1232 . 110 ILE HB H 1.80 0.03 1 1233 . 110 ILE HG12 H 0.87 0.03 1 1234 . 110 ILE HG13 H 1.46 0.03 1 1235 . 110 ILE HG2 H 1.18 0.03 1 1236 . 110 ILE HD1 H 0.84 0.03 1 1237 . 110 ILE C C 176.50 0.12 1 1238 . 110 ILE CA C 60.72 0.12 1 1239 . 110 ILE CB C 38.77 0.12 1 1240 . 110 ILE CG1 C 27.30 0.12 1 1241 . 110 ILE CG2 C 17.30 0.12 1 1242 . 110 ILE CD1 C 12.90 0.12 1 1243 . 110 ILE N N 120.99 0.15 1 1244 . 111 SER H H 8.38 0.03 1 1245 . 111 SER HA H 4.76 0.03 1 1246 . 111 SER HB2 H 3.80 0.03 1 1247 . 111 SER HB3 H 3.85 0.03 1 1248 . 111 SER C C 175.99 0.12 1 1249 . 111 SER CA C 55.90 0.12 1 1250 . 111 SER CB C 63.20 0.12 1 1251 . 111 SER N N 121.45 0.15 1 1252 . 112 PRO HA H 4.42 0.03 1 1253 . 112 PRO HB2 H 1.96 0.03 1 1254 . 112 PRO HB3 H 2.27 0.03 1 1255 . 112 PRO HG2 H 1.99 0.03 1 1256 . 112 PRO HG3 H 1.99 0.03 1 1257 . 112 PRO HD2 H 3.75 0.03 1 1258 . 112 PRO HD3 H 3.81 0.03 1 1259 . 112 PRO C C 172.80 0.12 1 1260 . 112 PRO CA C 63.37 0.12 1 1261 . 112 PRO CB C 32.05 0.12 1 1262 . 112 PRO CG C 27.10 0.12 1 1263 . 112 PRO CD C 50.74 0.12 1 1264 . 113 GLY H H 8.40 0.03 1 1265 . 113 GLY HA2 H 3.97 0.03 1 1266 . 113 GLY HA3 H 3.97 0.03 1 1267 . 113 GLY C C 177.34 0.12 1 1268 . 113 GLY CA C 45.23 0.12 1 1269 . 113 GLY N N 108.70 0.15 1 1270 . 114 THR H H 7.98 0.03 1 1271 . 114 THR HA H 4.36 0.03 1 1272 . 114 THR HB H 4.23 0.03 1 1273 . 114 THR HG2 H 1.18 0.03 1 1274 . 114 THR C C 174.32 0.12 1 1275 . 114 THR CA C 61.79 0.12 1 1276 . 114 THR CB C 69.70 0.12 1 1277 . 114 THR CG2 C 21.50 0.12 1 1278 . 114 THR N N 113.12 0.15 1 1279 . 115 SER H H 8.33 0.03 1 1280 . 115 SER HA H 4.42 0.03 1 1281 . 115 SER HB2 H 3.86 0.03 1 1282 . 115 SER HB3 H 3.86 0.03 1 1283 . 115 SER C C 174.68 0.12 1 1284 . 115 SER CA C 58.35 0.12 1 1285 . 115 SER CB C 63.56 0.12 1 1286 . 115 SER N N 118.06 0.15 1 1287 . 116 LYS H H 8.36 0.03 1 1288 . 116 LYS HA H 4.29 0.03 1 1289 . 116 LYS HB2 H 1.71 0.03 1 1290 . 116 LYS HB3 H 1.82 0.03 1 1291 . 116 LYS HG2 H 1.39 0.03 1 1292 . 116 LYS HG3 H 1.39 0.03 1 1293 . 116 LYS HD2 H 1.66 0.03 1 1294 . 116 LYS HD3 H 1.66 0.03 1 1295 . 116 LYS HE2 H 2.96 0.03 1 1296 . 116 LYS HE3 H 2.96 0.03 1 1297 . 116 LYS C C 174.57 0.12 1 1298 . 116 LYS CA C 56.10 0.12 1 1299 . 116 LYS CB C 32.80 0.12 1 1300 . 116 LYS CG C 24.80 0.12 1 1301 . 116 LYS CD C 28.80 0.12 1 1302 . 116 LYS N N 123.25 0.15 1 1303 . 117 GLU H H 8.29 0.03 1 1304 . 117 GLU HA H 4.21 0.03 1 1305 . 117 GLU HB2 H 1.91 0.03 1 1306 . 117 GLU HB3 H 1.98 0.03 1 1307 . 117 GLU HG2 H 2.21 0.03 1 1308 . 117 GLU HG3 H 2.21 0.03 1 1309 . 117 GLU C C 176.39 0.12 1 1310 . 117 GLU CA C 56.48 0.12 1 1311 . 117 GLU CB C 29.90 0.12 1 1312 . 117 GLU CG C 36.20 0.12 1 1313 . 117 GLU N N 121.30 0.15 1 1314 . 118 ARG H H 8.29 0.03 1 1315 . 118 ARG HA H 4.29 0.03 1 1316 . 118 ARG HB2 H 1.74 0.03 1 1317 . 118 ARG HB3 H 1.84 0.03 1 1318 . 118 ARG HG2 H 1.56 0.03 1 1319 . 118 ARG HG3 H 1.62 0.03 1 1320 . 118 ARG HD2 H 3.17 0.03 1 1321 . 118 ARG HD3 H 3.17 0.03 1 1322 . 118 ARG C C 176.19 0.12 1 1323 . 118 ARG CA C 55.90 0.12 1 1324 . 118 ARG CB C 30.70 0.12 1 1325 . 118 ARG CG C 26.90 0.12 1 1326 . 118 ARG CD C 43.10 0.12 1 1327 . 118 ARG N N 122.40 0.15 1 1328 . 119 LYS H H 8.36 0.03 1 1329 . 119 LYS HA H 4.30 0.03 1 1330 . 119 LYS HB2 H 1.72 0.03 1 1331 . 119 LYS HB3 H 1.80 0.03 1 1332 . 119 LYS HG2 H 1.38 0.03 1 1333 . 119 LYS HG3 H 1.38 0.03 1 1334 . 119 LYS HD2 H 1.65 0.03 1 1335 . 119 LYS HD3 H 1.65 0.03 1 1336 . 119 LYS HE2 H 2.95 0.03 1 1337 . 119 LYS HE3 H 2.95 0.03 1 1338 . 119 LYS C C 176.03 0.12 1 1339 . 119 LYS CA C 56.10 0.12 1 1340 . 119 LYS CB C 32.98 0.12 1 1341 . 119 LYS CG C 24.50 0.12 1 1342 . 119 LYS CD C 28.90 0.12 1 1343 . 119 LYS N N 122.38 0.15 1 1344 . 120 ASP H H 8.40 0.03 1 1345 . 120 ASP HA H 4.55 0.03 1 1346 . 120 ASP HB2 H 2.56 0.03 1 1347 . 120 ASP HB3 H 2.65 0.03 1 1348 . 120 ASP C C 175.88 0.12 1 1349 . 120 ASP CA C 54.05 0.12 1 1350 . 120 ASP CB C 40.84 0.12 1 1351 . 120 ASP N N 120.68 0.15 1 1352 . 121 ILE H H 7.83 0.03 1 1353 . 121 ILE HA H 4.09 0.03 1 1354 . 121 ILE HB H 1.77 0.03 1 1355 . 121 ILE HG12 H 0.78 0.03 1 1356 . 121 ILE HG13 H 1.31 0.03 1 1357 . 121 ILE HG2 H 1.07 0.03 1 1358 . 121 ILE HD1 H 0.77 0.03 1 1359 . 121 ILE C C 175.53 0.12 1 1360 . 121 ILE CA C 60.60 0.12 1 1361 . 121 ILE CB C 38.50 0.12 1 1362 . 121 ILE CG1 C 26.90 0.12 1 1363 . 121 ILE CG2 C 17.30 0.12 1 1364 . 121 ILE CD1 C 12.80 0.12 1 1365 . 121 ILE N N 119.91 0.15 1 1366 . 122 HIS H H 8.29 0.03 1 1367 . 122 HIS HA H 4.92 0.03 1 1368 . 122 HIS HB2 H 3.16 0.03 1 1369 . 122 HIS HB3 H 3.16 0.03 1 1370 . 122 HIS HD2 H 7.21 0.03 1 1371 . 122 HIS HE1 H 8.38 0.03 1 1372 . 122 HIS C C 175.33 0.12 1 1373 . 122 HIS CA C 53.10 0.12 1 1374 . 122 HIS CB C 28.90 0.12 1 1375 . 122 HIS N N 123.46 0.15 1 1376 . 123 PRO HA H 4.28 0.03 1 1377 . 123 PRO HB2 H 1.91 0.03 1 1378 . 123 PRO HB3 H 2.23 0.03 1 1379 . 123 PRO HG2 H 1.93 0.03 1 1380 . 123 PRO HG3 H 1.93 0.03 1 1381 . 123 PRO HD2 H 3.48 0.03 1 1382 . 123 PRO HD3 H 3.69 0.03 1 1383 . 123 PRO C C 173.80 0.12 1 1384 . 123 PRO CA C 64.50 0.12 1 1385 . 123 PRO CB C 31.80 0.12 1 1386 . 123 PRO CG C 27.10 0.12 1 1387 . 123 PRO CD C 50.40 0.12 1 stop_ save_