data_16404 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of human ubiquitin conjugating enzyme Ube2g2 ; _BMRB_accession_number 16404 _BMRB_flat_file_name bmr16404.str _Entry_type original _Submission_date 2009-07-10 _Accession_date 2009-07-10 _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 Ju Tingting . . 2 Bocik William . . 3 Majumdar Ananya . . 4 Tolman Joel R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 910 "13C chemical shifts" 715 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2010-03-05 update BMRB 'completed entry citation' 2009-12-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 6711 '1H, 13C, and 15N Chemical Shift Assignments for Human Ubc7' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure and dynamics of human ubiquitin conjugating enzyme Ube2g2.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20014027 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ju Tingting . . 2 Bocik William . . 3 Majumdar Ananya . . 4 Tolman Joel R. . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 78 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1291 _Page_last 1301 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Human ubiquitin-conjugating enzyme E2G2 isoform 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Human ubiquitin-conjugating enzyme E2G2 isoform 1' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Human ubiquitin-conjugating enzyme E2G2 isoform 1' _Molecular_mass 18582.391 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MAGTALKRLMAEYKQLTLNP PEGIVAGPMNEENFFEWEAL IMGPEDTCFEFGVFPAILSF PLDYPLSPPKMRFTCEMFHP NIYPDGRVCISILHAPGDDP MGYESSAERWSPVQSVEKIL LSVVSMLAEPNDESGANVDA SKMWRDDREQFYKIAKQIVQ KSLGL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLY 4 THR 5 ALA 6 LEU 7 LYS 8 ARG 9 LEU 10 MET 11 ALA 12 GLU 13 TYR 14 LYS 15 GLN 16 LEU 17 THR 18 LEU 19 ASN 20 PRO 21 PRO 22 GLU 23 GLY 24 ILE 25 VAL 26 ALA 27 GLY 28 PRO 29 MET 30 ASN 31 GLU 32 GLU 33 ASN 34 PHE 35 PHE 36 GLU 37 TRP 38 GLU 39 ALA 40 LEU 41 ILE 42 MET 43 GLY 44 PRO 45 GLU 46 ASP 47 THR 48 CYS 49 PHE 50 GLU 51 PHE 52 GLY 53 VAL 54 PHE 55 PRO 56 ALA 57 ILE 58 LEU 59 SER 60 PHE 61 PRO 62 LEU 63 ASP 64 TYR 65 PRO 66 LEU 67 SER 68 PRO 69 PRO 70 LYS 71 MET 72 ARG 73 PHE 74 THR 75 CYS 76 GLU 77 MET 78 PHE 79 HIS 80 PRO 81 ASN 82 ILE 83 TYR 84 PRO 85 ASP 86 GLY 87 ARG 88 VAL 89 CYS 90 ILE 91 SER 92 ILE 93 LEU 94 HIS 95 ALA 96 PRO 97 GLY 98 ASP 99 ASP 100 PRO 101 MET 102 GLY 103 TYR 104 GLU 105 SER 106 SER 107 ALA 108 GLU 109 ARG 110 TRP 111 SER 112 PRO 113 VAL 114 GLN 115 SER 116 VAL 117 GLU 118 LYS 119 ILE 120 LEU 121 LEU 122 SER 123 VAL 124 VAL 125 SER 126 MET 127 LEU 128 ALA 129 GLU 130 PRO 131 ASN 132 ASP 133 GLU 134 SER 135 GLY 136 ALA 137 ASN 138 VAL 139 ASP 140 ALA 141 SER 142 LYS 143 MET 144 TRP 145 ARG 146 ASP 147 ASP 148 ARG 149 GLU 150 GLN 151 PHE 152 TYR 153 LYS 154 ILE 155 ALA 156 LYS 157 GLN 158 ILE 159 VAL 160 GLN 161 LYS 162 SER 163 LEU 164 GLY 165 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 2CYX "Structure Of Human Ubiquitin-Conjugating Enzyme E2 G2 (Ube2g2UBC7)" 100.00 170 100.00 100.00 1.10e-117 PDB 2KLY "Solution Structure Of Human Ubiquitin Conjugating Enzyme Ube2g2" 100.00 167 100.00 100.00 9.57e-118 PDB 2LXP "Nmr Structure Of Two Domains In Ubiquitin Ligase Gp78, Ring And G2br, Bound To Its Conjugating Enzyme Ube2g" 99.39 164 100.00 100.00 3.95e-117 PDB 3FSH "Crystal Structure Of The Ubiquitin Conjugating Enzyme Ube2g2 Bound To The G2br Domain Of Ubiquitin Ligase Gp78" 100.00 168 100.00 100.00 9.08e-118 PDB 3H8K "Crystal Structure Of Ube2g2 Complxed With The G2br Domain Of Gp78 At 1.8-A Resolution" 99.39 164 100.00 100.00 3.95e-117 PDB 4LAD "Crystal Structure Of The Ube2g2:ring-g2br Complex" 100.00 165 100.00 100.00 6.51e-118 DBJ BAE22948 "unnamed protein product [Mus musculus]" 99.39 303 100.00 100.00 1.42e-115 DBJ BAE27256 "unnamed protein product [Mus musculus]" 100.00 165 100.00 100.00 6.51e-118 DBJ BAE32604 "unnamed protein product [Mus musculus]" 100.00 165 100.00 100.00 6.51e-118 DBJ BAF83318 "unnamed protein product [Homo sapiens]" 100.00 165 100.00 100.00 6.51e-118 DBJ BAG53675 "unnamed protein product [Homo sapiens]" 50.91 128 98.81 100.00 1.96e-51 EMBL CAB90551 "human ubiquitin conjugating enzyme G2 EC 6.3.2.19 [Homo sapiens]" 100.00 165 100.00 100.00 6.51e-118 EMBL CAD38846 "hypothetical protein [Homo sapiens]" 50.91 128 98.81 100.00 1.96e-51 EMBL CAH89573 "hypothetical protein [Pongo abelii]" 100.00 165 100.00 100.00 6.51e-118 GB AAF21503 "Ubc7p homolog [Mus musculus]" 89.70 148 99.32 100.00 3.29e-104 GB AAH01738 "Ubiquitin-conjugating enzyme E2G 2 (UBC7 homolog, yeast) [Homo sapiens]" 100.00 165 100.00 100.00 6.51e-118 GB AAH08351 "Ubiquitin-conjugating enzyme E2G 2 (UBC7 homolog, yeast) [Homo sapiens]" 100.00 165 100.00 100.00 6.51e-118 GB AAH10321 "Ubiquitin-conjugating enzyme E2G 2 [Mus musculus]" 100.00 165 100.00 100.00 6.51e-118 GB AAH11569 "Ubiquitin-conjugating enzyme E2G 2 (UBC7 homolog, yeast) [Homo sapiens]" 100.00 165 100.00 100.00 6.51e-118 REF NP_001069796 "ubiquitin-conjugating enzyme E2 G2 [Bos taurus]" 100.00 165 99.39 100.00 9.44e-118 REF NP_001099850 "ubiquitin-conjugating enzyme E2 G2 [Rattus norvegicus]" 100.00 165 100.00 100.00 6.51e-118 REF NP_001124691 "ubiquitin-conjugating enzyme E2 G2 [Pongo abelii]" 100.00 165 100.00 100.00 6.51e-118 REF NP_001181099 "ubiquitin-conjugating enzyme E2 G2 [Macaca mulatta]" 100.00 165 100.00 100.00 6.51e-118 REF NP_001189418 "ubiquitin-conjugating enzyme E2 G2 isoform 3 [Homo sapiens]" 57.58 95 100.00 100.00 1.14e-62 SP P60604 "RecName: Full=Ubiquitin-conjugating enzyme E2 G2; AltName: Full=E2 ubiquitin-conjugating enzyme G2; AltName: Full=Ubiquitin car" 100.00 165 100.00 100.00 6.51e-118 SP P60605 "RecName: Full=Ubiquitin-conjugating enzyme E2 G2; AltName: Full=E2 ubiquitin-conjugating enzyme G2; AltName: Full=Ubiquitin car" 100.00 165 100.00 100.00 6.51e-118 SP Q17QG5 "RecName: Full=Ubiquitin-conjugating enzyme E2 G2; AltName: Full=E2 ubiquitin-conjugating enzyme G2; AltName: Full=Ubiquitin car" 100.00 165 99.39 100.00 9.44e-118 SP Q5RF84 "RecName: Full=Ubiquitin-conjugating enzyme E2 G2; AltName: Full=E2 ubiquitin-conjugating enzyme G2; AltName: Full=Ubiquitin car" 100.00 165 100.00 100.00 6.51e-118 TPG DAA32954 "TPA: ubiquitin-conjugating enzyme E2G 2 [Bos taurus]" 74.55 123 100.00 100.00 1.01e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli BL21(DE3) pET28B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM phosphate buffer, 50mM NaCl, 0.5mM EDTA, 1mM TCEP; 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.0 mM '[U-99% 13C; U-99% 15N]' 'phosphate buffer' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20mM phosphate buffer, 50mM NaCl, 0.5mM EDTA, 1mM TCEP; 90% H2O, 10% D2O; 8 mg/ml bacteriophage Pf1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.7 mM '[U-99% 15N]' 'phosphate buffer' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'bacteriophage Pf1' 8 mg/ml 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '20mM phosphate buffer, 50mM NaCl, 0.5mM EDTA, 1mM TCEP; 90% H2O, 10% D2O; 4.5% stretched polyacrylamide gel' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.0 mM '[U-99% 13C; U-99% 15N]' 'phosphate buffer' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'polyacrylamide gel' 4.5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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 $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_NOESY _Sample_label $sample_1 save_ save_3D_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_IPAP-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name IPAP-HSQC _Sample_label $sample_2 save_ save_IPAP-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name IPAP-HSQC _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 295 . 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 4.80 internal indirect . . . 0.251449530 water H 1 protons ppm 4.80 internal direct . . . 1.000000000 water N 15 protons ppm 4.80 internal 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 IPAP-HSQC stop_ loop_ _Sample_label $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Human ubiquitin-conjugating enzyme E2G2 isoform 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 4.45 0.02 1 2 2 2 ALA HB H 1.47 0.02 1 3 2 2 ALA CA C 53.1 0.3 1 4 2 2 ALA CB C 19.2 0.3 1 5 3 3 GLY H H 8.40 0.02 1 6 3 3 GLY HA2 H 4.08 0.02 2 7 3 3 GLY HA3 H 4.14 0.02 2 8 3 3 GLY C C 175.3 0.3 1 9 3 3 GLY CA C 46.0 0.3 1 10 3 3 GLY N N 107.8 0.3 1 11 4 4 THR H H 8.10 0.02 1 12 4 4 THR HA H 4.06 0.02 1 13 4 4 THR HB H 4.37 0.02 1 14 4 4 THR HG2 H 1.30 0.02 1 15 4 4 THR C C 176.5 0.3 1 16 4 4 THR CA C 65.0 0.3 1 17 4 4 THR CB C 68.8 0.3 1 18 4 4 THR CG2 C 22.0 0.3 1 19 4 4 THR N N 115.3 0.3 1 20 5 5 ALA H H 8.44 0.02 1 21 5 5 ALA HA H 4.32 0.02 1 22 5 5 ALA HB H 1.90 0.02 1 23 5 5 ALA C C 179.1 0.3 1 24 5 5 ALA CA C 56.1 0.3 1 25 5 5 ALA CB C 20.1 0.3 1 26 5 5 ALA N N 126.3 0.3 1 27 6 6 LEU H H 8.47 0.02 1 28 6 6 LEU HA H 3.81 0.02 1 29 6 6 LEU HB2 H 1.84 0.02 2 30 6 6 LEU HB3 H 1.75 0.02 2 31 6 6 LEU HD1 H 0.91 0.02 1 32 6 6 LEU HD2 H 0.83 0.02 1 33 6 6 LEU HG H 1.50 0.02 1 34 6 6 LEU C C 178.3 0.3 1 35 6 6 LEU CA C 58.0 0.3 1 36 6 6 LEU CB C 41.6 0.3 1 37 6 6 LEU CD1 C 25.5 0.3 1 38 6 6 LEU CD2 C 24.2 0.3 1 39 6 6 LEU CG C 26.8 0.3 1 40 6 6 LEU N N 117.7 0.3 1 41 7 7 LYS H H 7.88 0.02 1 42 7 7 LYS HA H 3.88 0.02 1 43 7 7 LYS HB2 H 1.90 0.02 2 44 7 7 LYS HB3 H 1.86 0.02 2 45 7 7 LYS HD2 H 1.71 0.02 1 46 7 7 LYS HE2 H 3.01 0.02 2 47 7 7 LYS HE3 H 2.96 0.02 2 48 7 7 LYS HG2 H 1.60 0.02 2 49 7 7 LYS HG3 H 1.42 0.02 2 50 7 7 LYS C C 179.8 0.3 1 51 7 7 LYS CA C 59.6 0.3 1 52 7 7 LYS CB C 32.2 0.3 1 53 7 7 LYS CD C 29.2 0.3 1 54 7 7 LYS CE C 41.8 0.3 1 55 7 7 LYS CG C 25.4 0.3 1 56 7 7 LYS N N 117.1 0.3 1 57 8 8 ARG H H 7.89 0.02 1 58 8 8 ARG HA H 4.34 0.02 1 59 8 8 ARG HB2 H 2.26 0.02 2 60 8 8 ARG HB3 H 2.08 0.02 2 61 8 8 ARG HD2 H 3.12 0.02 2 62 8 8 ARG HD3 H 3.53 0.02 2 63 8 8 ARG HG2 H 1.85 0.02 2 64 8 8 ARG HG3 H 1.68 0.02 2 65 8 8 ARG C C 177.8 0.3 1 66 8 8 ARG CA C 58.3 0.3 1 67 8 8 ARG CB C 29.0 0.3 1 68 8 8 ARG CD C 42.6 0.3 1 69 8 8 ARG CG C 30.0 0.3 1 70 8 8 ARG N N 120.4 0.3 1 71 9 9 LEU H H 8.78 0.02 1 72 9 9 LEU HA H 4.03 0.02 1 73 9 9 LEU HB2 H 1.74 0.02 2 74 9 9 LEU HB3 H 1.31 0.02 2 75 9 9 LEU HD1 H -0.24 0.02 1 76 9 9 LEU HD2 H -0.83 0.02 1 77 9 9 LEU HG H 1.27 0.02 1 78 9 9 LEU C C 179.8 0.3 1 79 9 9 LEU CA C 58.6 0.3 1 80 9 9 LEU CB C 42.6 0.3 1 81 9 9 LEU CD1 C 23.8 0.3 1 82 9 9 LEU CD2 C 21.3 0.3 1 83 9 9 LEU CG C 27.0 0.3 1 84 9 9 LEU N N 121.2 0.3 1 85 10 10 MET H H 8.64 0.02 1 86 10 10 MET HA H 4.03 0.02 1 87 10 10 MET HB2 H 2.13 0.02 2 88 10 10 MET HB3 H 1.91 0.02 2 89 10 10 MET HE H 1.84 0.02 1 90 10 10 MET HG2 H 2.49 0.02 2 91 10 10 MET HG3 H 2.39 0.02 2 92 10 10 MET C C 178.9 0.3 1 93 10 10 MET CA C 59.7 0.3 1 94 10 10 MET CB C 32.6 0.3 1 95 10 10 MET CE C 16.5 0.3 1 96 10 10 MET CG C 32.6 0.3 1 97 10 10 MET N N 117.9 0.3 1 98 11 11 ALA H H 7.81 0.02 1 99 11 11 ALA HA H 4.20 0.02 1 100 11 11 ALA HB H 1.62 0.02 1 101 11 11 ALA C C 181.4 0.3 1 102 11 11 ALA CA C 55.2 0.3 1 103 11 11 ALA CB C 17.8 0.3 1 104 11 11 ALA N N 123.3 0.3 1 105 12 12 GLU H H 9.01 0.02 1 106 12 12 GLU HA H 4.21 0.02 1 107 12 12 GLU HB2 H 2.46 0.02 2 108 12 12 GLU HB3 H 2.36 0.02 2 109 12 12 GLU HG2 H 2.82 0.02 2 110 12 12 GLU HG3 H 2.38 0.02 2 111 12 12 GLU C C 179.5 0.3 1 112 12 12 GLU CA C 61.3 0.3 1 113 12 12 GLU CB C 30.4 0.3 1 114 12 12 GLU CG C 39.1 0.3 1 115 12 12 GLU N N 119.6 0.3 1 116 13 13 TYR H H 8.91 0.02 1 117 13 13 TYR HA H 4.45 0.02 1 118 13 13 TYR HB2 H 3.45 0.02 2 119 13 13 TYR HB3 H 3.21 0.02 2 120 13 13 TYR HD1 H 7.34 0.02 1 121 13 13 TYR HE1 H 6.92 0.02 1 122 13 13 TYR C C 177.5 0.3 1 123 13 13 TYR CA C 60.4 0.3 1 124 13 13 TYR CB C 38.2 0.3 1 125 13 13 TYR CD1 C 131.8 0.3 1 126 13 13 TYR CE1 C 118.1 0.3 1 127 13 13 TYR N N 119.6 0.3 1 128 14 14 LYS H H 8.24 0.02 1 129 14 14 LYS HA H 3.75 0.02 1 130 14 14 LYS HB2 H 1.99 0.02 2 131 14 14 LYS HB3 H 1.96 0.02 2 132 14 14 LYS HD2 H 1.76 0.02 2 133 14 14 LYS HD3 H 1.67 0.02 2 134 14 14 LYS HE2 H 2.96 0.02 2 135 14 14 LYS HE3 H 2.94 0.02 2 136 14 14 LYS HG2 H 1.50 0.02 2 137 14 14 LYS HG3 H 1.43 0.02 2 138 14 14 LYS C C 178.8 0.3 1 139 14 14 LYS CA C 59.2 0.3 1 140 14 14 LYS CB C 31.7 0.3 1 141 14 14 LYS CD C 29.0 0.3 1 142 14 14 LYS CE C 42.0 0.3 1 143 14 14 LYS CG C 24.7 0.3 1 144 14 14 LYS N N 120.4 0.3 1 145 15 15 GLN H H 7.86 0.02 1 146 15 15 GLN HA H 4.05 0.02 1 147 15 15 GLN HB2 H 2.29 0.02 2 148 15 15 GLN HB3 H 2.25 0.02 2 149 15 15 GLN HE21 H 7.64 0.02 1 150 15 15 GLN HE22 H 6.85 0.02 1 151 15 15 GLN HG2 H 2.59 0.02 2 152 15 15 GLN HG3 H 2.52 0.02 2 153 15 15 GLN C C 178.3 0.3 1 154 15 15 GLN CA C 58.8 0.3 1 155 15 15 GLN CB C 28.0 0.3 1 156 15 15 GLN CG C 33.4 0.3 1 157 15 15 GLN N N 117.7 0.3 1 158 15 15 GLN NE2 N 112.0 0.3 1 159 16 16 LEU H H 8.19 0.02 1 160 16 16 LEU HA H 4.09 0.02 1 161 16 16 LEU HB2 H 1.75 0.02 2 162 16 16 LEU HB3 H 2.07 0.02 2 163 16 16 LEU HD1 H 1.14 0.02 1 164 16 16 LEU HD2 H 1.03 0.02 1 165 16 16 LEU HG H 2.03 0.02 1 166 16 16 LEU C C 178.2 0.3 1 167 16 16 LEU CA C 57.3 0.3 1 168 16 16 LEU CB C 42.4 0.3 1 169 16 16 LEU CD1 C 26.1 0.3 1 170 16 16 LEU CD2 C 24.6 0.3 1 171 16 16 LEU CG C 27.3 0.3 1 172 16 16 LEU N N 120.1 0.3 1 173 17 17 THR H H 7.74 0.02 1 174 17 17 THR HA H 3.96 0.02 1 175 17 17 THR HB H 3.99 0.02 1 176 17 17 THR HG2 H 0.92 0.02 1 177 17 17 THR C C 176.3 0.3 1 178 17 17 THR CA C 64.5 0.3 1 179 17 17 THR CB C 69.1 0.3 1 180 17 17 THR CG2 C 21.2 0.3 1 181 17 17 THR N N 109.9 0.3 1 182 18 18 LEU H H 7.62 0.02 1 183 18 18 LEU HA H 4.19 0.02 1 184 18 18 LEU HB2 H 1.75 0.02 2 185 18 18 LEU HB3 H 1.53 0.02 2 186 18 18 LEU HD1 H 0.86 0.02 1 187 18 18 LEU HD2 H 0.85 0.02 1 188 18 18 LEU HG H 1.73 0.02 1 189 18 18 LEU C C 177.4 0.3 1 190 18 18 LEU CA C 56.6 0.3 1 191 18 18 LEU CB C 42.6 0.3 1 192 18 18 LEU CD1 C 25.0 0.3 1 193 18 18 LEU CD2 C 23.1 0.3 1 194 18 18 LEU CG C 26.6 0.3 1 195 18 18 LEU N N 121.4 0.3 1 196 19 19 ASN H H 7.62 0.02 1 197 19 19 ASN HA H 5.10 0.02 1 198 19 19 ASN HB2 H 2.60 0.02 2 199 19 19 ASN HB3 H 2.71 0.02 2 200 19 19 ASN HD21 H 7.59 0.02 1 201 19 19 ASN HD22 H 6.84 0.02 1 202 19 19 ASN C C 180.4 0.3 1 203 19 19 ASN CA C 50.8 0.3 1 204 19 19 ASN CB C 39.5 0.3 1 205 19 19 ASN N N 114.9 0.3 1 206 19 19 ASN ND2 N 113.4 0.3 1 207 21 21 PRO HA H 4.59 0.02 1 208 21 21 PRO HB2 H 2.41 0.02 2 209 21 21 PRO HB3 H 1.84 0.02 2 210 21 21 PRO HD2 H 4.09 0.02 2 211 21 21 PRO HD3 H 3.70 0.02 2 212 21 21 PRO HG2 H 2.03 0.02 2 213 21 21 PRO HG3 H 1.96 0.02 2 214 21 21 PRO C C 176.3 0.3 1 215 21 21 PRO CA C 61.6 0.3 1 216 21 21 PRO CB C 31.7 0.3 1 217 21 21 PRO CD C 50.5 0.3 1 218 21 21 PRO CG C 27.2 0.3 1 219 22 22 GLU H H 8.58 0.02 1 220 22 22 GLU HA H 4.11 0.02 1 221 22 22 GLU HB2 H 1.95 0.02 2 222 22 22 GLU HB3 H 2.03 0.02 2 223 22 22 GLU HG2 H 2.29 0.02 2 224 22 22 GLU HG3 H 2.17 0.02 2 225 22 22 GLU C C 177.6 0.3 1 226 22 22 GLU CA C 57.3 0.3 1 227 22 22 GLU CB C 29.8 0.3 1 228 22 22 GLU CG C 36.1 0.3 1 229 22 22 GLU N N 121.8 0.3 1 230 23 23 GLY H H 8.60 0.02 1 231 23 23 GLY HA2 H 4.20 0.02 2 232 23 23 GLY HA3 H 3.76 0.02 2 233 23 23 GLY C C 173.1 0.3 1 234 23 23 GLY CA C 45.8 0.3 1 235 23 23 GLY N N 110.5 0.3 1 236 24 24 ILE H H 7.34 0.02 1 237 24 24 ILE HA H 4.91 0.02 1 238 24 24 ILE HB H 1.64 0.02 1 239 24 24 ILE HD1 H 0.81 0.02 1 240 24 24 ILE HG12 H 1.47 0.02 2 241 24 24 ILE HG13 H 1.10 0.02 2 242 24 24 ILE HG2 H 0.84 0.02 1 243 24 24 ILE C C 174.8 0.3 1 244 24 24 ILE CA C 59.7 0.3 1 245 24 24 ILE CB C 42.0 0.3 1 246 24 24 ILE CD1 C 14.3 0.3 1 247 24 24 ILE CG1 C 27.1 0.3 1 248 24 24 ILE CG2 C 19.1 0.3 1 249 24 24 ILE N N 117.1 0.3 1 250 25 25 VAL H H 8.27 0.02 1 251 25 25 VAL HA H 4.32 0.02 1 252 25 25 VAL HB H 1.95 0.02 1 253 25 25 VAL HG1 H 0.81 0.02 1 254 25 25 VAL HG2 H 0.94 0.02 1 255 25 25 VAL C C 174.9 0.3 1 256 25 25 VAL CA C 61.5 0.3 1 257 25 25 VAL CB C 34.8 0.3 1 258 25 25 VAL CG1 C 20.8 0.3 1 259 25 25 VAL CG2 C 20.9 0.3 1 260 25 25 VAL N N 125.3 0.3 1 261 26 26 ALA H H 8.54 0.02 1 262 26 26 ALA HA H 5.45 0.02 1 263 26 26 ALA HB H 1.47 0.02 1 264 26 26 ALA C C 176.5 0.3 1 265 26 26 ALA CA C 51.5 0.3 1 266 26 26 ALA CB C 22.6 0.3 1 267 26 26 ALA N N 126.7 0.3 1 268 27 27 GLY H H 8.19 0.02 1 269 27 27 GLY HA2 H 3.63 0.02 2 270 27 27 GLY HA3 H 3.10 0.02 2 271 27 27 GLY CA C 45.7 0.3 1 272 27 27 GLY N N 105.7 0.3 1 273 28 28 PRO HA H 4.02 0.02 1 274 28 28 PRO HB2 H 0.95 0.02 1 275 28 28 PRO C C 176.8 0.3 1 276 28 28 PRO CA C 62.1 0.3 1 277 28 28 PRO CB C 31.2 0.3 1 278 28 28 PRO CD C 47.7 0.3 1 279 28 28 PRO CG C 25.8 0.3 1 280 29 29 MET H H 8.34 0.02 1 281 29 29 MET HA H 4.46 0.02 1 282 29 29 MET HB2 H 2.02 0.02 2 283 29 29 MET HB3 H 2.10 0.02 2 284 29 29 MET HE H 2.07 0.02 1 285 29 29 MET HG2 H 2.55 0.02 2 286 29 29 MET HG3 H 2.47 0.02 2 287 29 29 MET C C 176.0 0.3 1 288 29 29 MET CA C 55.6 0.3 1 289 29 29 MET CB C 32.5 0.3 1 290 29 29 MET CE C 17.0 0.3 1 291 29 29 MET CG C 31.8 0.3 1 292 29 29 MET N N 123.5 0.3 1 293 30 30 ASN H H 8.58 0.02 1 294 30 30 ASN HA H 4.53 0.02 1 295 30 30 ASN HB2 H 2.86 0.02 2 296 30 30 ASN HB3 H 2.73 0.02 2 297 30 30 ASN HD21 H 7.74 0.02 1 298 30 30 ASN HD22 H 6.96 0.02 1 299 30 30 ASN C C 175.1 0.3 1 300 30 30 ASN CA C 52.5 0.3 1 301 30 30 ASN CB C 40.2 0.3 1 302 30 30 ASN N N 125.5 0.3 1 303 30 30 ASN ND2 N 113.6 0.3 1 304 31 31 GLU H H 8.80 0.02 1 305 31 31 GLU HA H 3.53 0.02 1 306 31 31 GLU HB2 H 2.11 0.02 2 307 31 31 GLU HB3 H 1.99 0.02 2 308 31 31 GLU HG2 H 2.22 0.02 2 309 31 31 GLU HG3 H 2.10 0.02 2 310 31 31 GLU C C 175.8 0.3 1 311 31 31 GLU CA C 58.5 0.3 1 312 31 31 GLU CB C 28.9 0.3 1 313 31 31 GLU CG C 36.6 0.3 1 314 31 31 GLU N N 120.8 0.3 1 315 32 32 GLU H H 8.24 0.02 1 316 32 32 GLU HA H 4.27 0.02 1 317 32 32 GLU HB2 H 2.07 0.02 2 318 32 32 GLU HB3 H 1.90 0.02 2 319 32 32 GLU HG2 H 2.27 0.02 2 320 32 32 GLU HG3 H 2.22 0.02 2 321 32 32 GLU C C 176.3 0.3 1 322 32 32 GLU CA C 57.1 0.3 1 323 32 32 GLU CB C 29.9 0.3 1 324 32 32 GLU CG C 36.4 0.3 1 325 32 32 GLU N N 116.3 0.3 1 326 33 33 ASN H H 7.95 0.02 1 327 33 33 ASN HA H 5.19 0.02 1 328 33 33 ASN HB2 H 3.09 0.02 2 329 33 33 ASN HB3 H 2.77 0.02 2 330 33 33 ASN HD21 H 7.67 0.02 1 331 33 33 ASN HD22 H 7.22 0.02 1 332 33 33 ASN C C 174.8 0.3 1 333 33 33 ASN CA C 51.5 0.3 1 334 33 33 ASN CB C 38.4 0.3 1 335 33 33 ASN N N 116.7 0.3 1 336 33 33 ASN ND2 N 110.8 0.3 1 337 34 34 PHE H H 9.49 0.02 1 338 34 34 PHE HA H 3.93 0.02 1 339 34 34 PHE HB2 H 2.72 0.02 2 340 34 34 PHE HB3 H 2.80 0.02 2 341 34 34 PHE HD1 H 7.34 0.02 1 342 34 34 PHE HE1 H 7.19 0.02 1 343 34 34 PHE HZ H 7.13 0.02 1 344 34 34 PHE C C 174.8 0.3 1 345 34 34 PHE CA C 60.1 0.3 1 346 34 34 PHE CB C 39.5 0.3 1 347 34 34 PHE CD1 C 128.9 0.3 1 348 34 34 PHE CE1 C 131.5 0.3 1 349 34 34 PHE CZ C 131.4 0.3 1 350 34 34 PHE N N 124.1 0.3 1 351 35 35 PHE H H 8.17 0.02 1 352 35 35 PHE HA H 4.37 0.02 1 353 35 35 PHE HB2 H 3.73 0.02 2 354 35 35 PHE HB3 H 3.18 0.02 2 355 35 35 PHE HD1 H 7.26 0.02 1 356 35 35 PHE HE1 H 7.35 0.02 1 357 35 35 PHE HZ H 7.34 0.02 1 358 35 35 PHE C C 174.9 0.3 1 359 35 35 PHE CA C 59.5 0.3 1 360 35 35 PHE CB C 38.1 0.3 1 361 35 35 PHE CD1 C 132.1 0.3 1 362 35 35 PHE CE1 C 131.3 0.3 1 363 35 35 PHE CZ C 131.2 0.3 1 364 35 35 PHE N N 113.2 0.3 1 365 36 36 GLU H H 7.03 0.02 1 366 36 36 GLU HA H 5.48 0.02 1 367 36 36 GLU HB2 H 2.10 0.02 2 368 36 36 GLU HB3 H 1.85 0.02 2 369 36 36 GLU HG2 H 2.14 0.02 2 370 36 36 GLU HG3 H 2.24 0.02 2 371 36 36 GLU C C 175.0 0.3 1 372 36 36 GLU CA C 55.2 0.3 1 373 36 36 GLU CB C 31.6 0.3 1 374 36 36 GLU CG C 35.6 0.3 1 375 36 36 GLU N N 118.8 0.3 1 376 37 37 TRP H H 9.99 0.02 1 377 37 37 TRP HA H 5.36 0.02 1 378 37 37 TRP HB2 H 3.14 0.02 2 379 37 37 TRP HB3 H 3.07 0.02 2 380 37 37 TRP HD1 H 6.68 0.02 1 381 37 37 TRP HE1 H 9.41 0.02 1 382 37 37 TRP HE3 H 7.19 0.02 1 383 37 37 TRP HH2 H 6.98 0.02 1 384 37 37 TRP HZ2 H 7.32 0.02 1 385 37 37 TRP HZ3 H 6.92 0.02 1 386 37 37 TRP C C 175.1 0.3 1 387 37 37 TRP CA C 54.9 0.3 1 388 37 37 TRP CB C 31.9 0.3 1 389 37 37 TRP CD1 C 124.2 0.3 1 390 37 37 TRP CE3 C 118.1 0.3 1 391 37 37 TRP CH2 C 123.2 0.3 1 392 37 37 TRP CZ2 C 114.6 0.3 1 393 37 37 TRP CZ3 C 121.1 0.3 1 394 37 37 TRP N N 126.6 0.3 1 395 37 37 TRP NE1 N 129.0 0.3 1 396 38 38 GLU H H 8.65 0.02 1 397 38 38 GLU HA H 5.25 0.02 1 398 38 38 GLU HB2 H 2.02 0.02 1 399 38 38 GLU HG2 H 2.22 0.02 2 400 38 38 GLU HG3 H 2.09 0.02 2 401 38 38 GLU C C 174.9 0.3 1 402 38 38 GLU CA C 54.4 0.3 1 403 38 38 GLU CB C 32.4 0.3 1 404 38 38 GLU CG C 36.4 0.3 1 405 38 38 GLU N N 119.3 0.3 1 406 39 39 ALA H H 8.97 0.02 1 407 39 39 ALA HA H 5.45 0.02 1 408 39 39 ALA HB H 1.14 0.02 1 409 39 39 ALA C C 175.1 0.3 1 410 39 39 ALA CA C 50.0 0.3 1 411 39 39 ALA CB C 22.8 0.3 1 412 39 39 ALA N N 124.3 0.3 1 413 40 40 LEU H H 9.06 0.02 1 414 40 40 LEU HA H 4.70 0.02 1 415 40 40 LEU HB2 H 1.33 0.02 2 416 40 40 LEU HB3 H 1.58 0.02 2 417 40 40 LEU HD1 H 0.77 0.02 1 418 40 40 LEU HD2 H 0.94 0.02 1 419 40 40 LEU HG H 1.45 0.02 1 420 40 40 LEU C C 175.2 0.3 1 421 40 40 LEU CA C 54.3 0.3 1 422 40 40 LEU CB C 44.0 0.3 1 423 40 40 LEU CD1 C 24.5 0.3 1 424 40 40 LEU CD2 C 20.9 0.3 1 425 40 40 LEU CG C 26.8 0.3 1 426 40 40 LEU N N 122.6 0.3 1 427 41 41 ILE H H 8.27 0.02 1 428 41 41 ILE HA H 4.52 0.02 1 429 41 41 ILE HB H 2.36 0.02 1 430 41 41 ILE HD1 H 0.78 0.02 1 431 41 41 ILE HG12 H 1.37 0.02 2 432 41 41 ILE HG13 H 1.48 0.02 2 433 41 41 ILE HG2 H 0.89 0.02 1 434 41 41 ILE C C 174.7 0.3 1 435 41 41 ILE CA C 59.4 0.3 1 436 41 41 ILE CB C 39.7 0.3 1 437 41 41 ILE CD1 C 13.2 0.3 1 438 41 41 ILE CG1 C 27.9 0.3 1 439 41 41 ILE CG2 C 18.2 0.3 1 440 41 41 ILE N N 124.3 0.3 1 441 42 42 MET H H 8.42 0.02 1 442 42 42 MET HA H 4.98 0.02 1 443 42 42 MET HB2 H 2.00 0.02 2 444 42 42 MET HB3 H 2.07 0.02 2 445 42 42 MET HE H 1.99 0.02 1 446 42 42 MET HG2 H 2.67 0.02 2 447 42 42 MET HG3 H 2.59 0.02 2 448 42 42 MET C C 177.5 0.3 1 449 42 42 MET CA C 53.8 0.3 1 450 42 42 MET CB C 31.9 0.3 1 451 42 42 MET CE C 17.1 0.3 1 452 42 42 MET CG C 33.0 0.3 1 453 42 42 MET N N 126.1 0.3 1 454 43 43 GLY H H 8.73 0.02 1 455 43 43 GLY HA2 H 4.03 0.02 2 456 43 43 GLY HA3 H 3.94 0.02 2 457 43 43 GLY CA C 43.9 0.3 1 458 43 43 GLY N N 109.5 0.3 1 459 44 44 PRO HA H 4.41 0.02 1 460 44 44 PRO HB2 H 1.99 0.02 2 461 44 44 PRO HB3 H 2.32 0.02 2 462 44 44 PRO HD2 H 3.48 0.02 2 463 44 44 PRO HD3 H 3.51 0.02 2 464 44 44 PRO HG2 H 2.22 0.02 2 465 44 44 PRO HG3 H 2.14 0.02 2 466 44 44 PRO C C 176.5 0.3 1 467 44 44 PRO CA C 62.6 0.3 1 468 44 44 PRO CB C 31.1 0.3 1 469 44 44 PRO CD C 51.7 0.3 1 470 44 44 PRO CG C 27.1 0.3 1 471 45 45 GLU H H 8.70 0.02 1 472 45 45 GLU HA H 3.76 0.02 1 473 45 45 GLU HB2 H 1.93 0.02 1 474 45 45 GLU HG2 H 2.30 0.02 2 475 45 45 GLU HG3 H 2.24 0.02 2 476 45 45 GLU C C 175.7 0.3 1 477 45 45 GLU CA C 57.1 0.3 1 478 45 45 GLU CB C 30.1 0.3 1 479 45 45 GLU CG C 36.2 0.3 1 480 45 45 GLU N N 123.7 0.3 1 481 46 46 ASP H H 8.92 0.02 1 482 46 46 ASP HA H 4.26 0.02 1 483 46 46 ASP HB2 H 2.80 0.02 2 484 46 46 ASP HB3 H 3.02 0.02 2 485 46 46 ASP C C 175.1 0.3 1 486 46 46 ASP CA C 55.8 0.3 1 487 46 46 ASP CB C 39.2 0.3 1 488 46 46 ASP N N 117.5 0.3 1 489 47 47 THR H H 7.21 0.02 1 490 47 47 THR HA H 4.97 0.02 1 491 47 47 THR HB H 4.70 0.02 1 492 47 47 THR HG2 H 1.27 0.02 1 493 47 47 THR C C 176.6 0.3 1 494 47 47 THR CA C 60.1 0.3 1 495 47 47 THR CB C 74.5 0.3 1 496 47 47 THR CG2 C 21.7 0.3 1 497 47 47 THR N N 105.1 0.3 1 498 48 48 CYS H H 9.26 0.02 1 499 48 48 CYS HA H 4.29 0.02 1 500 48 48 CYS HB2 H 2.92 0.02 2 501 48 48 CYS HB3 H 2.41 0.02 2 502 48 48 CYS C C 173.8 0.3 1 503 48 48 CYS CA C 59.4 0.3 1 504 48 48 CYS CB C 27.3 0.3 1 505 48 48 CYS N N 117.7 0.3 1 506 49 49 PHE H H 7.76 0.02 1 507 49 49 PHE HA H 4.73 0.02 1 508 49 49 PHE HB2 H 3.74 0.02 2 509 49 49 PHE HB3 H 2.52 0.02 2 510 49 49 PHE HD1 H 7.38 0.02 1 511 49 49 PHE HE1 H 7.51 0.02 1 512 49 49 PHE HZ H 7.86 0.02 1 513 49 49 PHE C C 174.0 0.3 1 514 49 49 PHE CA C 58.0 0.3 1 515 49 49 PHE CB C 39.4 0.3 1 516 49 49 PHE CD1 C 132.8 0.3 1 517 49 49 PHE CE1 C 131.5 0.3 1 518 49 49 PHE CZ C 129.8 0.3 1 519 49 49 PHE N N 117.7 0.3 1 520 50 50 GLU H H 7.31 0.02 1 521 50 50 GLU HA H 3.34 0.02 1 522 50 50 GLU HB2 H 1.85 0.02 2 523 50 50 GLU HB3 H 1.62 0.02 2 524 50 50 GLU HG2 H 1.51 0.02 1 525 50 50 GLU C C 174.8 0.3 1 526 50 50 GLU CA C 57.5 0.3 1 527 50 50 GLU CB C 29.5 0.3 1 528 50 50 GLU CG C 34.3 0.3 1 529 50 50 GLU N N 121.8 0.3 1 530 51 51 PHE H H 8.32 0.02 1 531 51 51 PHE HA H 4.14 0.02 1 532 51 51 PHE HB2 H 3.28 0.02 2 533 51 51 PHE HB3 H 3.56 0.02 2 534 51 51 PHE HD1 H 7.22 0.02 1 535 51 51 PHE HE1 H 7.33 0.02 1 536 51 51 PHE HZ H 7.43 0.02 1 537 51 51 PHE C C 175.5 0.3 1 538 51 51 PHE CA C 59.8 0.3 1 539 51 51 PHE CB C 36.5 0.3 1 540 51 51 PHE CD1 C 131.3 0.3 1 541 51 51 PHE CE1 C 131.2 0.3 1 542 51 51 PHE CZ C 131.6 0.3 1 543 51 51 PHE N N 114.5 0.3 1 544 52 52 GLY H H 8.01 0.02 1 545 52 52 GLY HA2 H 3.66 0.02 2 546 52 52 GLY HA3 H 3.26 0.02 2 547 52 52 GLY C C 181.6 0.3 1 548 52 52 GLY CA C 45.8 0.3 1 549 52 52 GLY N N 103.8 0.3 1 550 53 53 VAL H H 7.15 0.02 1 551 53 53 VAL HA H 4.01 0.02 1 552 53 53 VAL HB H 1.76 0.02 1 553 53 53 VAL HG1 H 0.76 0.02 1 554 53 53 VAL HG2 H 0.81 0.02 1 555 53 53 VAL C C 174.6 0.3 1 556 53 53 VAL CA C 61.9 0.3 1 557 53 53 VAL CB C 33.1 0.3 1 558 53 53 VAL CG1 C 21.6 0.3 1 559 53 53 VAL CG2 C 20.5 0.3 1 560 53 53 VAL N N 123.5 0.3 1 561 54 54 PHE H H 8.86 0.02 1 562 54 54 PHE HA H 4.63 0.02 1 563 54 54 PHE HB2 H 2.72 0.02 2 564 54 54 PHE HB3 H 2.57 0.02 2 565 54 54 PHE HD1 H 7.25 0.02 1 566 54 54 PHE HE1 H 7.14 0.02 1 567 54 54 PHE HZ H 7.38 0.02 1 568 54 54 PHE C C 173.6 0.3 1 569 54 54 PHE CA C 54.1 0.3 1 570 54 54 PHE CB C 40.8 0.3 1 571 54 54 PHE CD1 C 131.3 0.3 1 572 54 54 PHE CE1 C 129.6 0.3 1 573 54 54 PHE CZ C 131.3 0.3 1 574 54 54 PHE N N 127.3 0.3 1 575 55 55 PRO HA H 5.33 0.02 1 576 55 55 PRO HB2 H 2.18 0.02 2 577 55 55 PRO HB3 H 2.11 0.02 2 578 55 55 PRO HD2 H 4.11 0.02 2 579 55 55 PRO HD3 H 4.03 0.02 2 580 55 55 PRO HG2 H 2.21 0.02 2 581 55 55 PRO HG3 H 1.84 0.02 2 582 55 55 PRO C C 175.9 0.3 1 583 55 55 PRO CA C 61.7 0.3 1 584 55 55 PRO CB C 32.3 0.3 1 585 55 55 PRO CD C 52.3 0.3 1 586 55 55 PRO CG C 27.5 0.3 1 587 56 56 ALA H H 9.08 0.02 1 588 56 56 ALA HA H 5.15 0.02 1 589 56 56 ALA HB H 0.57 0.02 1 590 56 56 ALA C C 175.8 0.3 1 591 56 56 ALA CA C 50.0 0.3 1 592 56 56 ALA CB C 24.2 0.3 1 593 56 56 ALA N N 121.8 0.3 1 594 57 57 ILE H H 8.77 0.02 1 595 57 57 ILE HA H 5.07 0.02 1 596 57 57 ILE HB H 1.59 0.02 1 597 57 57 ILE HD1 H 0.80 0.02 1 598 57 57 ILE HG12 H 1.14 0.02 2 599 57 57 ILE HG13 H 1.51 0.02 2 600 57 57 ILE HG2 H 0.85 0.02 1 601 57 57 ILE C C 176.3 0.3 1 602 57 57 ILE CA C 59.1 0.3 1 603 57 57 ILE CB C 41.1 0.3 1 604 57 57 ILE CD1 C 12.8 0.3 1 605 57 57 ILE CG1 C 26.9 0.3 1 606 57 57 ILE CG2 C 17.4 0.3 1 607 57 57 ILE N N 118.8 0.3 1 608 58 58 LEU H H 8.96 0.02 1 609 58 58 LEU HA H 4.95 0.02 1 610 58 58 LEU HB2 H 1.26 0.02 2 611 58 58 LEU HB3 H 0.68 0.02 2 612 58 58 LEU HD1 H 0.64 0.02 1 613 58 58 LEU HD2 H 0.47 0.02 1 614 58 58 LEU HG H 1.13 0.02 1 615 58 58 LEU C C 174.0 0.3 1 616 58 58 LEU CA C 54.0 0.3 1 617 58 58 LEU CB C 45.3 0.3 1 618 58 58 LEU CD1 C 25.4 0.3 1 619 58 58 LEU CD2 C 25.7 0.3 1 620 58 58 LEU CG C 29.0 0.3 1 621 58 58 LEU N N 128.2 0.3 1 622 59 59 SER H H 8.41 0.02 1 623 59 59 SER HA H 5.05 0.02 1 624 59 59 SER HB2 H 3.40 0.02 2 625 59 59 SER HB3 H 3.84 0.02 2 626 59 59 SER C C 174.4 0.3 1 627 59 59 SER CA C 56.1 0.3 1 628 59 59 SER CB C 63.5 0.3 1 629 59 59 SER N N 118.0 0.3 1 630 60 60 PHE H H 9.39 0.02 1 631 60 60 PHE HA H 4.26 0.02 1 632 60 60 PHE HB2 H 2.88 0.02 2 633 60 60 PHE HB3 H 2.46 0.02 2 634 60 60 PHE HD1 H 6.11 0.02 1 635 60 60 PHE HE1 H 5.72 0.02 1 636 60 60 PHE HZ H 7.27 0.02 1 637 60 60 PHE C C 172.7 0.3 1 638 60 60 PHE CA C 56.2 0.3 1 639 60 60 PHE CB C 40.0 0.3 1 640 60 60 PHE CD1 C 131.2 0.3 1 641 60 60 PHE CE1 C 129.8 0.3 1 642 60 60 PHE CZ C 132.9 0.3 1 643 60 60 PHE N N 126.5 0.3 1 644 61 61 PRO HA H 4.71 0.02 1 645 61 61 PRO HB2 H 2.36 0.02 1 646 61 61 PRO HG2 H 2.15 0.02 1 647 61 61 PRO C C 176.9 0.3 1 648 61 61 PRO CA C 61.5 0.3 1 649 61 61 PRO CB C 32.5 0.3 1 650 61 61 PRO CD C 50.8 0.3 1 651 61 61 PRO CG C 27.3 0.3 1 652 62 62 LEU H H 8.39 0.02 1 653 62 62 LEU HA H 3.98 0.02 1 654 62 62 LEU HB2 H 1.58 0.02 2 655 62 62 LEU HB3 H 1.45 0.02 2 656 62 62 LEU HD1 H 0.75 0.02 1 657 62 62 LEU HD2 H 0.41 0.02 1 658 62 62 LEU HG H 1.57 0.02 1 659 62 62 LEU C C 176.6 0.3 1 660 62 62 LEU CA C 56.8 0.3 1 661 62 62 LEU CB C 41.5 0.3 1 662 62 62 LEU CD1 C 24.9 0.3 1 663 62 62 LEU CD2 C 22.6 0.3 1 664 62 62 LEU CG C 27.0 0.3 1 665 62 62 LEU N N 117.3 0.3 1 666 63 63 ASP H H 8.23 0.02 1 667 63 63 ASP HA H 4.71 0.02 1 668 63 63 ASP HB2 H 3.01 0.02 2 669 63 63 ASP HB3 H 2.40 0.02 2 670 63 63 ASP C C 176.7 0.3 1 671 63 63 ASP CA C 51.9 0.3 1 672 63 63 ASP CB C 39.3 0.3 1 673 63 63 ASP N N 112.2 0.3 1 674 64 64 TYR H H 7.75 0.02 1 675 64 64 TYR HA H 4.53 0.02 1 676 64 64 TYR HB2 H 2.87 0.02 2 677 64 64 TYR HB3 H 2.80 0.02 2 678 64 64 TYR HD1 H 6.95 0.02 1 679 64 64 TYR HE1 H 6.68 0.02 1 680 64 64 TYR C C 173.8 0.3 1 681 64 64 TYR CA C 58.5 0.3 1 682 64 64 TYR CB C 39.6 0.3 1 683 64 64 TYR CD1 C 132.9 0.3 1 684 64 64 TYR CE1 C 117.9 0.3 1 685 64 64 TYR N N 124.5 0.3 1 686 65 65 PRO HA H 3.87 0.02 1 687 65 65 PRO HB2 H 0.81 0.02 1 688 65 65 PRO C C 175.4 0.3 1 689 65 65 PRO CA C 63.4 0.3 1 690 65 65 PRO CB C 32.8 0.3 1 691 65 65 PRO CD C 48.8 0.3 1 692 65 65 PRO CG C 24.6 0.3 1 693 66 66 LEU H H 9.58 0.02 1 694 66 66 LEU HA H 4.14 0.02 1 695 66 66 LEU HB2 H 1.61 0.02 2 696 66 66 LEU HB3 H 2.02 0.02 2 697 66 66 LEU HD1 H 0.98 0.02 1 698 66 66 LEU HD2 H 0.86 0.02 1 699 66 66 LEU HG H 1.74 0.02 1 700 66 66 LEU C C 177.5 0.3 1 701 66 66 LEU CA C 57.8 0.3 1 702 66 66 LEU CB C 40.7 0.3 1 703 66 66 LEU CD1 C 25.2 0.3 1 704 66 66 LEU CD2 C 22.7 0.3 1 705 66 66 LEU CG C 27.4 0.3 1 706 66 66 LEU N N 126.6 0.3 1 707 67 67 SER H H 6.72 0.02 1 708 67 67 SER HA H 4.64 0.02 1 709 67 67 SER HB2 H 3.85 0.02 2 710 67 67 SER HB3 H 3.67 0.02 2 711 67 67 SER CA C 55.7 0.3 1 712 67 67 SER CB C 63.7 0.3 1 713 67 67 SER N N 112.8 0.3 1 714 69 69 PRO HA H 4.40 0.02 1 715 69 69 PRO HB2 H 0.68 0.02 1 716 69 69 PRO HD2 H 3.54 0.02 1 717 69 69 PRO HG2 H 2.73 0.02 2 718 69 69 PRO HG3 H 2.56 0.02 2 719 69 69 PRO C C 175.1 0.3 1 720 69 69 PRO CA C 61.3 0.3 1 721 69 69 PRO CB C 31.0 0.3 1 722 69 69 PRO CD C 49.6 0.3 1 723 69 69 PRO CG C 26.4 0.3 1 724 70 70 LYS H H 7.78 0.02 1 725 70 70 LYS HA H 4.24 0.02 1 726 70 70 LYS HB2 H 1.49 0.02 2 727 70 70 LYS HB3 H 1.78 0.02 2 728 70 70 LYS HD2 H 1.58 0.02 2 729 70 70 LYS HD3 H 1.52 0.02 2 730 70 70 LYS HE2 H 2.88 0.02 1 731 70 70 LYS HG2 H 1.40 0.02 2 732 70 70 LYS HG3 H 1.28 0.02 2 733 70 70 LYS C C 175.1 0.3 1 734 70 70 LYS CA C 54.8 0.3 1 735 70 70 LYS CB C 34.5 0.3 1 736 70 70 LYS CD C 29.4 0.3 1 737 70 70 LYS CE C 42.0 0.3 1 738 70 70 LYS CG C 25.0 0.3 1 739 70 70 LYS N N 116.3 0.3 1 740 71 71 MET H H 8.73 0.02 1 741 71 71 MET HA H 5.26 0.02 1 742 71 71 MET HB2 H 2.11 0.02 2 743 71 71 MET HB3 H 2.23 0.02 2 744 71 71 MET HE H 1.30 0.02 1 745 71 71 MET HG2 H 1.93 0.02 2 746 71 71 MET HG3 H 1.69 0.02 2 747 71 71 MET C C 173.2 0.3 1 748 71 71 MET CA C 54.5 0.3 1 749 71 71 MET CB C 36.3 0.3 1 750 71 71 MET CE C 18.6 0.3 1 751 71 71 MET CG C 33.5 0.3 1 752 71 71 MET N N 122.7 0.3 1 753 72 72 ARG H H 8.51 0.02 1 754 72 72 ARG HA H 5.08 0.02 1 755 72 72 ARG HB2 H 1.58 0.02 2 756 72 72 ARG HB3 H 1.48 0.02 2 757 72 72 ARG HD2 H 3.13 0.02 2 758 72 72 ARG HD3 H 2.97 0.02 2 759 72 72 ARG HG2 H 1.21 0.02 2 760 72 72 ARG HG3 H 1.18 0.02 2 761 72 72 ARG C C 175.3 0.3 1 762 72 72 ARG CA C 53.7 0.3 1 763 72 72 ARG CB C 33.7 0.3 1 764 72 72 ARG CD C 43.2 0.3 1 765 72 72 ARG CG C 26.7 0.3 1 766 72 72 ARG N N 125.7 0.3 1 767 73 73 PHE H H 9.08 0.02 1 768 73 73 PHE HA H 4.95 0.02 1 769 73 73 PHE HB2 H 2.81 0.02 2 770 73 73 PHE HB3 H 3.39 0.02 2 771 73 73 PHE HD1 H 7.32 0.02 1 772 73 73 PHE HE1 H 6.91 0.02 1 773 73 73 PHE HZ H 6.65 0.02 1 774 73 73 PHE C C 174.2 0.3 1 775 73 73 PHE CA C 59.9 0.3 1 776 73 73 PHE CB C 40.5 0.3 1 777 73 73 PHE CD1 C 132.3 0.3 1 778 73 73 PHE CE1 C 130.8 0.3 1 779 73 73 PHE CZ C 127.5 0.3 1 780 73 73 PHE N N 124.1 0.3 1 781 74 74 THR H H 9.06 0.02 1 782 74 74 THR HA H 4.47 0.02 1 783 74 74 THR HB H 4.50 0.02 1 784 74 74 THR HG2 H 1.12 0.02 1 785 74 74 THR C C 174.2 0.3 1 786 74 74 THR CA C 61.3 0.3 1 787 74 74 THR CB C 67.8 0.3 1 788 74 74 THR CG2 C 22.0 0.3 1 789 74 74 THR N N 112.0 0.3 1 790 75 75 CYS H H 7.52 0.02 1 791 75 75 CYS HA H 5.04 0.02 1 792 75 75 CYS HB2 H 2.68 0.02 2 793 75 75 CYS HB3 H 2.87 0.02 2 794 75 75 CYS C C 173.1 0.3 1 795 75 75 CYS CA C 53.3 0.3 1 796 75 75 CYS CB C 31.6 0.3 1 797 75 75 CYS N N 116.5 0.3 1 798 76 76 GLU H H 8.62 0.02 1 799 76 76 GLU HA H 4.09 0.02 1 800 76 76 GLU HB2 H 1.84 0.02 1 801 76 76 GLU HG2 H 2.25 0.02 2 802 76 76 GLU HG3 H 2.17 0.02 2 803 76 76 GLU C C 176.2 0.3 1 804 76 76 GLU CA C 56.8 0.3 1 805 76 76 GLU CB C 30.3 0.3 1 806 76 76 GLU CG C 36.3 0.3 1 807 76 76 GLU N N 122.4 0.3 1 808 77 77 MET H H 8.35 0.02 1 809 77 77 MET HA H 4.70 0.02 1 810 77 77 MET HB2 H 1.83 0.02 2 811 77 77 MET HB3 H 1.40 0.02 2 812 77 77 MET HE H -0.14 0.02 1 813 77 77 MET HG2 H 2.80 0.02 2 814 77 77 MET HG3 H 2.31 0.02 2 815 77 77 MET C C 174.2 0.3 1 816 77 77 MET CA C 52.9 0.3 1 817 77 77 MET CB C 36.4 0.3 1 818 77 77 MET CE C 15.0 0.3 1 819 77 77 MET CG C 32.4 0.3 1 820 77 77 MET N N 121.6 0.3 1 821 78 78 PHE H H 7.40 0.02 1 822 78 78 PHE HA H 4.52 0.02 1 823 78 78 PHE HB2 H 2.76 0.02 2 824 78 78 PHE HB3 H 2.89 0.02 2 825 78 78 PHE HD1 H 7.10 0.02 1 826 78 78 PHE HE1 H 7.46 0.02 1 827 78 78 PHE HZ H 7.01 0.02 1 828 78 78 PHE C C 180.8 0.3 1 829 78 78 PHE CA C 58.4 0.3 1 830 78 78 PHE CB C 39.7 0.3 1 831 78 78 PHE CD1 C 132.7 0.3 1 832 78 78 PHE CE1 C 131.5 0.3 1 833 78 78 PHE CZ C 129.0 0.3 1 834 78 78 PHE N N 121.4 0.3 1 835 79 79 HIS H H 8.84 0.02 1 836 79 79 HIS HA H 5.49 0.02 1 837 79 79 HIS HB2 H 2.12 0.02 2 838 79 79 HIS HB3 H 2.23 0.02 2 839 79 79 HIS HD2 H 6.89 0.02 1 840 79 79 HIS HE1 H 8.09 0.02 1 841 79 79 HIS C C 173.3 0.3 1 842 79 79 HIS CA C 55.4 0.3 1 843 79 79 HIS CB C 34.6 0.3 1 844 79 79 HIS CD2 C 115.9 0.3 1 845 79 79 HIS CE1 C 139.8 0.3 1 846 79 79 HIS N N 124.5 0.3 1 847 79 79 HIS ND1 N 255.0 0.3 1 848 79 79 HIS NE2 N 165.0 0.3 1 849 80 80 PRO HA H 3.96 0.02 1 850 80 80 PRO C C 176.0 0.3 1 851 80 80 PRO CA C 65.9 0.3 1 852 80 80 PRO CB C 33.1 0.3 1 853 80 80 PRO CD C 50.1 0.3 1 854 80 80 PRO CG C 25.7 0.3 1 855 81 81 ASN H H 11.04 0.02 1 856 81 81 ASN HA H 5.03 0.02 1 857 81 81 ASN HB2 H 2.60 0.02 2 858 81 81 ASN HB3 H 3.55 0.02 2 859 81 81 ASN HD21 H 7.60 0.02 1 860 81 81 ASN HD22 H 6.93 0.02 1 861 81 81 ASN C C 172.2 0.3 1 862 81 81 ASN CA C 53.0 0.3 1 863 81 81 ASN CB C 40.4 0.3 1 864 81 81 ASN N N 114.8 0.3 1 865 81 81 ASN ND2 N 113.0 0.3 1 866 82 82 ILE H H 7.50 0.02 1 867 82 82 ILE HA H 4.58 0.02 1 868 82 82 ILE HB H 1.55 0.02 1 869 82 82 ILE HD1 H 0.19 0.02 1 870 82 82 ILE HG12 H 0.56 0.02 2 871 82 82 ILE HG13 H 1.28 0.02 2 872 82 82 ILE HG2 H 0.94 0.02 1 873 82 82 ILE C C 176.0 0.3 1 874 82 82 ILE CA C 59.8 0.3 1 875 82 82 ILE CB C 39.9 0.3 1 876 82 82 ILE CD1 C 14.5 0.3 1 877 82 82 ILE CG1 C 27.4 0.3 1 878 82 82 ILE CG2 C 17.1 0.3 1 879 82 82 ILE N N 119.2 0.3 1 880 83 83 TYR H H 9.35 0.02 1 881 83 83 TYR HA H 4.58 0.02 1 882 83 83 TYR HB2 H 3.10 0.02 2 883 83 83 TYR HB3 H 3.23 0.02 2 884 83 83 TYR HD1 H 7.25 0.02 1 885 83 83 TYR HE1 H 6.89 0.02 1 886 83 83 TYR C C 176.9 0.3 1 887 83 83 TYR CA C 59.2 0.3 1 888 83 83 TYR CB C 38.3 0.3 1 889 83 83 TYR CD1 C 133.8 0.3 1 890 83 83 TYR CE1 C 118.2 0.3 1 891 83 83 TYR N N 125.8 0.3 1 892 84 84 PRO HA H 4.55 0.02 1 893 84 84 PRO HB2 H 2.61 0.02 2 894 84 84 PRO HB3 H 2.16 0.02 2 895 84 84 PRO HD2 H 4.16 0.02 2 896 84 84 PRO HD3 H 4.12 0.02 2 897 84 84 PRO HG2 H 2.43 0.02 2 898 84 84 PRO HG3 H 2.17 0.02 2 899 84 84 PRO C C 176.2 0.3 1 900 84 84 PRO CA C 65.6 0.3 1 901 84 84 PRO CB C 31.5 0.3 1 902 84 84 PRO CD C 50.7 0.3 1 903 84 84 PRO CG C 28.1 0.3 1 904 85 85 ASP H H 7.52 0.02 1 905 85 85 ASP HA H 4.56 0.02 1 906 85 85 ASP HB2 H 3.06 0.02 2 907 85 85 ASP HB3 H 2.60 0.02 2 908 85 85 ASP C C 176.7 0.3 1 909 85 85 ASP CA C 53.4 0.3 1 910 85 85 ASP CB C 40.0 0.3 1 911 85 85 ASP N N 113.0 0.3 1 912 86 86 GLY H H 8.72 0.02 1 913 86 86 GLY HA2 H 3.60 0.02 2 914 86 86 GLY HA3 H 4.90 0.02 2 915 86 86 GLY C C 175.8 0.3 1 916 86 86 GLY CA C 45.2 0.3 1 917 86 86 GLY N N 108.7 0.3 1 918 87 87 ARG H H 8.05 0.02 1 919 87 87 ARG HA H 4.50 0.02 1 920 87 87 ARG HB2 H 1.81 0.02 2 921 87 87 ARG HB3 H 1.92 0.02 2 922 87 87 ARG HD2 H 3.12 0.02 1 923 87 87 ARG HG2 H 1.82 0.02 2 924 87 87 ARG HG3 H 1.62 0.02 2 925 87 87 ARG C C 175.8 0.3 1 926 87 87 ARG CA C 58.3 0.3 1 927 87 87 ARG CB C 31.2 0.3 1 928 87 87 ARG CD C 43.4 0.3 1 929 87 87 ARG CG C 27.6 0.3 1 930 87 87 ARG N N 121.4 0.3 1 931 88 88 VAL H H 8.21 0.02 1 932 88 88 VAL HA H 3.85 0.02 1 933 88 88 VAL HB H 1.76 0.02 1 934 88 88 VAL HG1 H 0.83 0.02 1 935 88 88 VAL HG2 H 0.93 0.02 1 936 88 88 VAL C C 175.0 0.3 1 937 88 88 VAL CA C 63.9 0.3 1 938 88 88 VAL CB C 33.2 0.3 1 939 88 88 VAL CG1 C 22.6 0.3 1 940 88 88 VAL CG2 C 23.4 0.3 1 941 88 88 VAL N N 123.2 0.3 1 942 89 89 CYS H H 8.67 0.02 1 943 89 89 CYS HA H 4.91 0.02 1 944 89 89 CYS HB2 H 2.43 0.02 2 945 89 89 CYS HB3 H 2.83 0.02 2 946 89 89 CYS C C 181.7 0.3 1 947 89 89 CYS CA C 58.1 0.3 1 948 89 89 CYS CB C 27.4 0.3 1 949 89 89 CYS N N 130.8 0.3 1 950 90 90 ILE H H 6.98 0.02 1 951 90 90 ILE HA H 4.80 0.02 1 952 90 90 ILE HB H 2.07 0.02 1 953 90 90 ILE HD1 H 0.73 0.02 1 954 90 90 ILE HG12 H 1.28 0.02 2 955 90 90 ILE HG13 H 0.99 0.02 2 956 90 90 ILE HG2 H 0.86 0.02 1 957 90 90 ILE C C 177.0 0.3 1 958 90 90 ILE CA C 59.4 0.3 1 959 90 90 ILE CB C 41.2 0.3 1 960 90 90 ILE CD1 C 13.8 0.3 1 961 90 90 ILE CG1 C 25.3 0.3 1 962 90 90 ILE CG2 C 18.8 0.3 1 963 90 90 ILE N N 116.7 0.3 1 964 91 91 SER H H 8.87 0.02 1 965 91 91 SER HA H 3.53 0.02 1 966 91 91 SER HB2 H 2.95 0.02 2 967 91 91 SER HB3 H 1.71 0.02 2 968 91 91 SER C C 176.7 0.3 1 969 91 91 SER CA C 59.3 0.3 1 970 91 91 SER CB C 63.5 0.3 1 971 91 91 SER N N 121.8 0.3 1 972 92 92 ILE H H 7.77 0.02 1 973 92 92 ILE HA H 4.01 0.02 1 974 92 92 ILE HB H 1.90 0.02 1 975 92 92 ILE HD1 H 0.78 0.02 1 976 92 92 ILE HG12 H 1.39 0.02 2 977 92 92 ILE HG13 H 1.47 0.02 2 978 92 92 ILE HG2 H 0.84 0.02 1 979 92 92 ILE C C 172.8 0.3 1 980 92 92 ILE CA C 63.7 0.3 1 981 92 92 ILE CB C 38.4 0.3 1 982 92 92 ILE CD1 C 14.5 0.3 1 983 92 92 ILE CG1 C 28.8 0.3 1 984 92 92 ILE CG2 C 17.4 0.3 1 985 92 92 ILE N N 117.9 0.3 1 986 93 93 LEU H H 7.10 0.02 1 987 93 93 LEU HA H 4.52 0.02 1 988 93 93 LEU HB2 H 1.65 0.02 2 989 93 93 LEU HB3 H 1.82 0.02 2 990 93 93 LEU HD1 H 0.71 0.02 1 991 93 93 LEU HD2 H 0.70 0.02 1 992 93 93 LEU HG H 1.37 0.02 1 993 93 93 LEU C C 176.3 0.3 1 994 93 93 LEU CA C 53.0 0.3 1 995 93 93 LEU CB C 41.3 0.3 1 996 93 93 LEU CD1 C 26.0 0.3 1 997 93 93 LEU CD2 C 22.5 0.3 1 998 93 93 LEU CG C 26.2 0.3 1 999 93 93 LEU N N 113.8 0.3 1 1000 94 94 HIS H H 7.98 0.02 1 1001 94 94 HIS HA H 4.77 0.02 1 1002 94 94 HIS HB2 H 3.24 0.02 2 1003 94 94 HIS HB3 H 3.20 0.02 2 1004 94 94 HIS HD2 H 7.04 0.02 1 1005 94 94 HIS HE1 H 7.95 0.02 1 1006 94 94 HIS C C 174.8 0.3 1 1007 94 94 HIS CA C 56.2 0.3 1 1008 94 94 HIS CB C 31.0 0.3 1 1009 94 94 HIS CD2 C 119.3 0.3 1 1010 94 94 HIS CE1 C 138.0 0.3 1 1011 94 94 HIS N N 119.8 0.3 1 1012 94 94 HIS ND1 N 205.1 0.3 1 1013 94 94 HIS NE2 N 188.0 0.3 1 1014 95 95 ALA H H 8.92 0.02 1 1015 95 95 ALA HA H 4.67 0.02 1 1016 95 95 ALA HB H 1.42 0.02 1 1017 95 95 ALA C C 175.5 0.3 1 1018 95 95 ALA CA C 50.2 0.3 1 1019 95 95 ALA CB C 18.1 0.3 1 1020 95 95 ALA N N 129.0 0.3 1 1021 96 96 PRO HA H 4.33 0.02 1 1022 96 96 PRO HB2 H 2.36 0.02 2 1023 96 96 PRO HB3 H 1.97 0.02 2 1024 96 96 PRO HD2 H 3.82 0.02 2 1025 96 96 PRO HD3 H 4.03 0.02 2 1026 96 96 PRO HG2 H 2.24 0.02 2 1027 96 96 PRO HG3 H 2.11 0.02 2 1028 96 96 PRO C C 177.4 0.3 1 1029 96 96 PRO CA C 64.4 0.3 1 1030 96 96 PRO CB C 31.6 0.3 1 1031 96 96 PRO CD C 50.4 0.3 1 1032 96 96 PRO CG C 27.7 0.3 1 1033 97 97 GLY H H 8.60 0.02 1 1034 97 97 GLY HA2 H 4.05 0.02 2 1035 97 97 GLY HA3 H 3.86 0.02 2 1036 97 97 GLY C C 174.2 0.3 1 1037 97 97 GLY CA C 44.9 0.3 1 1038 97 97 GLY N N 109.5 0.3 1 1039 98 98 ASP H H 7.95 0.02 1 1040 98 98 ASP HA H 4.61 0.02 1 1041 98 98 ASP HB2 H 2.71 0.02 2 1042 98 98 ASP HB3 H 2.57 0.02 2 1043 98 98 ASP C C 175.8 0.3 1 1044 98 98 ASP CA C 54.0 0.3 1 1045 98 98 ASP CB C 41.0 0.3 1 1046 98 98 ASP N N 120.8 0.3 1 1047 99 99 ASP H H 8.33 0.02 1 1048 99 99 ASP HA H 4.76 0.02 1 1049 99 99 ASP HB2 H 2.52 0.02 2 1050 99 99 ASP HB3 H 2.71 0.02 2 1051 99 99 ASP C C 174.8 0.3 1 1052 99 99 ASP CA C 52.5 0.3 1 1053 99 99 ASP CB C 41.0 0.3 1 1054 99 99 ASP N N 121.6 0.3 1 1055 100 100 PRO HA H 4.32 0.02 1 1056 100 100 PRO HB2 H 2.18 0.02 2 1057 100 100 PRO HB3 H 1.92 0.02 2 1058 100 100 PRO HD2 H 3.74 0.02 2 1059 100 100 PRO HD3 H 3.66 0.02 2 1060 100 100 PRO HG2 H 1.93 0.02 1 1061 100 100 PRO C C 177.0 0.3 1 1062 100 100 PRO CA C 63.7 0.3 1 1063 100 100 PRO CB C 31.8 0.3 1 1064 100 100 PRO CD C 50.6 0.3 1 1065 100 100 PRO CG C 27.1 0.3 1 1066 101 101 MET H H 8.33 0.02 1 1067 101 101 MET HA H 4.35 0.02 1 1068 101 101 MET HB2 H 1.80 0.02 2 1069 101 101 MET HB3 H 1.90 0.02 2 1070 101 101 MET HE H 1.99 0.02 1 1071 101 101 MET HG2 H 2.38 0.02 2 1072 101 101 MET HG3 H 2.48 0.02 2 1073 101 101 MET C C 176.6 0.3 1 1074 101 101 MET CA C 55.1 0.3 1 1075 101 101 MET CB C 32.0 0.3 1 1076 101 101 MET CE C 16.8 0.3 1 1077 101 101 MET CG C 32.1 0.3 1 1078 101 101 MET N N 118.5 0.3 1 1079 102 102 GLY H H 8.19 0.02 1 1080 102 102 GLY HA2 H 3.81 0.02 1 1081 102 102 GLY C C 174.0 0.3 1 1082 102 102 GLY CA C 45.3 0.3 1 1083 102 102 GLY N N 109.3 0.3 1 1084 103 103 TYR H H 7.69 0.02 1 1085 103 103 TYR HA H 4.51 0.02 1 1086 103 103 TYR HB2 H 2.80 0.02 2 1087 103 103 TYR HB3 H 3.00 0.02 2 1088 103 103 TYR HD1 H 7.02 0.02 1 1089 103 103 TYR HE1 H 6.65 0.02 1 1090 103 103 TYR C C 175.9 0.3 1 1091 103 103 TYR CA C 57.6 0.3 1 1092 103 103 TYR CB C 38.7 0.3 1 1093 103 103 TYR CD1 C 133.1 0.3 1 1094 103 103 TYR CE1 C 117.9 0.3 1 1095 103 103 TYR N N 119.0 0.3 1 1096 104 104 GLU H H 8.65 0.02 1 1097 104 104 GLU HA H 4.25 0.02 1 1098 104 104 GLU HB2 H 1.92 0.02 2 1099 104 104 GLU HB3 H 2.08 0.02 2 1100 104 104 GLU HG2 H 2.30 0.02 2 1101 104 104 GLU HG3 H 2.23 0.02 2 1102 104 104 GLU C C 177.0 0.3 1 1103 104 104 GLU CA C 56.8 0.3 1 1104 104 104 GLU CB C 30.3 0.3 1 1105 104 104 GLU CG C 36.4 0.3 1 1106 104 104 GLU N N 122.6 0.3 1 1107 105 105 SER H H 8.46 0.02 1 1108 105 105 SER HA H 4.32 0.02 1 1109 105 105 SER HB2 H 3.93 0.02 2 1110 105 105 SER HB3 H 3.81 0.02 2 1111 105 105 SER C C 174.9 0.3 1 1112 105 105 SER CA C 59.3 0.3 1 1113 105 105 SER CB C 63.5 0.3 1 1114 105 105 SER N N 117.1 0.3 1 1115 106 106 SER H H 8.26 0.02 1 1116 106 106 SER HA H 4.40 0.02 1 1117 106 106 SER HB2 H 3.97 0.02 2 1118 106 106 SER HB3 H 3.84 0.02 2 1119 106 106 SER C C 174.3 0.3 1 1120 106 106 SER CA C 58.2 0.3 1 1121 106 106 SER CB C 63.3 0.3 1 1122 106 106 SER N N 116.7 0.3 1 1123 107 107 ALA H H 7.90 0.02 1 1124 107 107 ALA HA H 4.25 0.02 1 1125 107 107 ALA HB H 1.40 0.02 1 1126 107 107 ALA C C 177.4 0.3 1 1127 107 107 ALA CA C 52.4 0.3 1 1128 107 107 ALA CB C 19.0 0.3 1 1129 107 107 ALA N N 125.9 0.3 1 1130 108 108 GLU H H 8.38 0.02 1 1131 108 108 GLU HA H 4.08 0.02 1 1132 108 108 GLU HB2 H 1.84 0.02 1 1133 108 108 GLU HG2 H 2.24 0.02 2 1134 108 108 GLU HG3 H 2.18 0.02 2 1135 108 108 GLU C C 175.9 0.3 1 1136 108 108 GLU CA C 56.8 0.3 1 1137 108 108 GLU CB C 30.2 0.3 1 1138 108 108 GLU CG C 36.3 0.3 1 1139 108 108 GLU N N 121.0 0.3 1 1140 109 109 ARG H H 8.13 0.02 1 1141 109 109 ARG HA H 4.92 0.02 1 1142 109 109 ARG HB2 H 1.73 0.02 2 1143 109 109 ARG HB3 H 2.13 0.02 2 1144 109 109 ARG HD2 H 3.16 0.02 2 1145 109 109 ARG HD3 H 3.10 0.02 2 1146 109 109 ARG HG2 H 1.67 0.02 2 1147 109 109 ARG HG3 H 1.61 0.02 2 1148 109 109 ARG C C 175.8 0.3 1 1149 109 109 ARG CA C 53.3 0.3 1 1150 109 109 ARG CB C 32.5 0.3 1 1151 109 109 ARG CD C 42.8 0.3 1 1152 109 109 ARG CG C 27.3 0.3 1 1153 109 109 ARG N N 121.8 0.3 1 1154 110 110 TRP H H 8.74 0.02 1 1155 110 110 TRP HA H 4.20 0.02 1 1156 110 110 TRP HB2 H 2.69 0.02 2 1157 110 110 TRP HB3 H 3.72 0.02 2 1158 110 110 TRP HD1 H 6.70 0.02 1 1159 110 110 TRP HE1 H 9.65 0.02 1 1160 110 110 TRP HE3 H 8.30 0.02 1 1161 110 110 TRP HH2 H 7.17 0.02 1 1162 110 110 TRP HZ2 H 7.03 0.02 1 1163 110 110 TRP HZ3 H 6.81 0.02 1 1164 110 110 TRP C C 176.6 0.3 1 1165 110 110 TRP CA C 59.9 0.3 1 1166 110 110 TRP CB C 29.4 0.3 1 1167 110 110 TRP CD1 C 125.0 0.3 1 1168 110 110 TRP CE3 C 120.8 0.3 1 1169 110 110 TRP CH2 C 124.3 0.3 1 1170 110 110 TRP CZ2 C 116.1 0.3 1 1171 110 110 TRP CZ3 C 122.1 0.3 1 1172 110 110 TRP N N 121.2 0.3 1 1173 110 110 TRP NE1 N 130.6 0.3 1 1174 111 111 SER H H 5.72 0.02 1 1175 111 111 SER HA H 4.39 0.02 1 1176 111 111 SER HB2 H 3.98 0.02 2 1177 111 111 SER HB3 H 3.77 0.02 2 1178 111 111 SER CA C 56.6 0.3 1 1179 111 111 SER CB C 63.1 0.3 1 1180 111 111 SER N N 119.6 0.3 1 1181 112 112 PRO HA H 4.28 0.02 1 1182 112 112 PRO HB2 H 2.12 0.02 2 1183 112 112 PRO HB3 H 1.81 0.02 2 1184 112 112 PRO HD2 H 3.89 0.02 1 1185 112 112 PRO HG2 H 2.07 0.02 2 1186 112 112 PRO HG3 H 1.83 0.02 2 1187 112 112 PRO C C 175.9 0.3 1 1188 112 112 PRO CA C 64.4 0.3 1 1189 112 112 PRO CB C 32.0 0.3 1 1190 112 112 PRO CD C 50.8 0.3 1 1191 112 112 PRO CG C 27.7 0.3 1 1192 113 113 VAL H H 6.73 0.02 1 1193 113 113 VAL HA H 4.22 0.02 1 1194 113 113 VAL HB H 2.11 0.02 1 1195 113 113 VAL HG1 H 0.68 0.02 1 1196 113 113 VAL HG2 H 0.79 0.02 1 1197 113 113 VAL C C 177.6 0.3 1 1198 113 113 VAL CA C 61.5 0.3 1 1199 113 113 VAL CB C 30.7 0.3 1 1200 113 113 VAL CG1 C 19.2 0.3 1 1201 113 113 VAL CG2 C 20.7 0.3 1 1202 113 113 VAL N N 109.5 0.3 1 1203 114 114 GLN H H 7.07 0.02 1 1204 114 114 GLN HA H 4.45 0.02 1 1205 114 114 GLN HB2 H 1.61 0.02 1 1206 114 114 GLN HE21 H 6.68 0.02 1 1207 114 114 GLN HE22 H 7.05 0.02 1 1208 114 114 GLN HG2 H 2.10 0.02 2 1209 114 114 GLN HG3 H 1.91 0.02 2 1210 114 114 GLN C C 172.6 0.3 1 1211 114 114 GLN CA C 54.3 0.3 1 1212 114 114 GLN CB C 27.3 0.3 1 1213 114 114 GLN CG C 31.1 0.3 1 1214 114 114 GLN N N 119.2 0.3 1 1215 114 114 GLN NE2 N 108.9 0.3 1 1216 115 115 SER H H 6.74 0.02 1 1217 115 115 SER HA H 4.95 0.02 1 1218 115 115 SER HB2 H 3.86 0.02 2 1219 115 115 SER HB3 H 4.45 0.02 2 1220 115 115 SER C C 174.4 0.3 1 1221 115 115 SER CA C 56.1 0.3 1 1222 115 115 SER CB C 66.2 0.3 1 1223 115 115 SER N N 107.9 0.3 1 1224 116 116 VAL H H 10.38 0.02 1 1225 116 116 VAL HA H 3.55 0.02 1 1226 116 116 VAL HB H 2.17 0.02 1 1227 116 116 VAL HG1 H 0.78 0.02 1 1228 116 116 VAL HG2 H 0.83 0.02 1 1229 116 116 VAL C C 177.8 0.3 1 1230 116 116 VAL CA C 67.4 0.3 1 1231 116 116 VAL CB C 31.0 0.3 1 1232 116 116 VAL CG1 C 24.1 0.3 1 1233 116 116 VAL CG2 C 21.7 0.3 1 1234 116 116 VAL N N 123.3 0.3 1 1235 117 117 GLU H H 9.37 0.02 1 1236 117 117 GLU HA H 3.67 0.02 1 1237 117 117 GLU HB2 H 2.18 0.02 2 1238 117 117 GLU HB3 H 2.06 0.02 2 1239 117 117 GLU HG2 H 2.16 0.02 2 1240 117 117 GLU HG3 H 2.12 0.02 2 1241 117 117 GLU C C 177.2 0.3 1 1242 117 117 GLU CA C 60.8 0.3 1 1243 117 117 GLU CB C 30.0 0.3 1 1244 117 117 GLU CG C 36.4 0.3 1 1245 117 117 GLU N N 120.8 0.3 1 1246 118 118 LYS H H 7.79 0.02 1 1247 118 118 LYS HA H 4.00 0.02 1 1248 118 118 LYS HB2 H 1.94 0.02 2 1249 118 118 LYS HB3 H 2.00 0.02 2 1250 118 118 LYS HD2 H 1.70 0.02 1 1251 118 118 LYS HE2 H 2.98 0.02 2 1252 118 118 LYS HE3 H 2.93 0.02 2 1253 118 118 LYS HG2 H 1.71 0.02 2 1254 118 118 LYS HG3 H 1.53 0.02 2 1255 118 118 LYS C C 180.6 0.3 1 1256 118 118 LYS CA C 59.1 0.3 1 1257 118 118 LYS CB C 32.2 0.3 1 1258 118 118 LYS CD C 28.5 0.3 1 1259 118 118 LYS CE C 41.6 0.3 1 1260 118 118 LYS CG C 25.0 0.3 1 1261 118 118 LYS N N 116.5 0.3 1 1262 119 119 ILE H H 8.36 0.02 1 1263 119 119 ILE HA H 3.54 0.02 1 1264 119 119 ILE HB H 2.17 0.02 1 1265 119 119 ILE HD1 H 0.83 0.02 1 1266 119 119 ILE HG12 H 1.05 0.02 2 1267 119 119 ILE HG13 H 1.17 0.02 2 1268 119 119 ILE HG2 H 0.72 0.02 1 1269 119 119 ILE C C 177.4 0.3 1 1270 119 119 ILE CA C 66.0 0.3 1 1271 119 119 ILE CB C 38.4 0.3 1 1272 119 119 ILE CD1 C 15.0 0.3 1 1273 119 119 ILE CG1 C 27.9 0.3 1 1274 119 119 ILE CG2 C 17.5 0.3 1 1275 119 119 ILE N N 121.4 0.3 1 1276 120 120 LEU H H 8.51 0.02 1 1277 120 120 LEU HA H 3.82 0.02 1 1278 120 120 LEU HB2 H 1.98 0.02 2 1279 120 120 LEU HB3 H 1.33 0.02 2 1280 120 120 LEU HD1 H 0.65 0.02 1 1281 120 120 LEU HD2 H 0.79 0.02 1 1282 120 120 LEU HG H 1.96 0.02 1 1283 120 120 LEU C C 179.0 0.3 1 1284 120 120 LEU CA C 58.3 0.3 1 1285 120 120 LEU CB C 40.6 0.3 1 1286 120 120 LEU CD1 C 22.0 0.3 1 1287 120 120 LEU CD2 C 27.1 0.3 1 1288 120 120 LEU CG C 26.4 0.3 1 1289 120 120 LEU N N 117.9 0.3 1 1290 121 121 LEU H H 8.67 0.02 1 1291 121 121 LEU HA H 4.09 0.02 1 1292 121 121 LEU HB2 H 1.49 0.02 2 1293 121 121 LEU HB3 H 1.52 0.02 2 1294 121 121 LEU HD1 H 0.92 0.02 1 1295 121 121 LEU HD2 H 0.90 0.02 1 1296 121 121 LEU HG H 1.86 0.02 1 1297 121 121 LEU C C 180.7 0.3 1 1298 121 121 LEU CA C 58.0 0.3 1 1299 121 121 LEU CB C 41.4 0.3 1 1300 121 121 LEU CD1 C 22.6 0.3 1 1301 121 121 LEU CD2 C 25.7 0.3 1 1302 121 121 LEU CG C 27.2 0.3 1 1303 121 121 LEU N N 118.5 0.3 1 1304 122 122 SER H H 8.03 0.02 1 1305 122 122 SER HA H 4.30 0.02 1 1306 122 122 SER HB2 H 3.88 0.02 2 1307 122 122 SER HB3 H 4.02 0.02 2 1308 122 122 SER C C 177.0 0.3 1 1309 122 122 SER CA C 62.2 0.3 1 1310 122 122 SER CB C 62.7 0.3 1 1311 122 122 SER N N 117.1 0.3 1 1312 123 123 VAL H H 8.23 0.02 1 1313 123 123 VAL HA H 3.64 0.02 1 1314 123 123 VAL HB H 2.29 0.02 1 1315 123 123 VAL HG1 H 0.90 0.02 1 1316 123 123 VAL HG2 H 1.00 0.02 1 1317 123 123 VAL C C 177.0 0.3 1 1318 123 123 VAL CA C 66.6 0.3 1 1319 123 123 VAL CB C 30.9 0.3 1 1320 123 123 VAL CG1 C 22.0 0.3 1 1321 123 123 VAL CG2 C 24.2 0.3 1 1322 123 123 VAL N N 124.1 0.3 1 1323 124 124 VAL H H 8.07 0.02 1 1324 124 124 VAL HA H 3.44 0.02 1 1325 124 124 VAL HB H 2.19 0.02 1 1326 124 124 VAL HG1 H 1.03 0.02 1 1327 124 124 VAL HG2 H 1.18 0.02 1 1328 124 124 VAL C C 178.2 0.3 1 1329 124 124 VAL CA C 68.2 0.3 1 1330 124 124 VAL CB C 31.5 0.3 1 1331 124 124 VAL CG1 C 21.7 0.3 1 1332 124 124 VAL CG2 C 23.6 0.3 1 1333 124 124 VAL N N 120.8 0.3 1 1334 125 125 SER H H 7.83 0.02 1 1335 125 125 SER HA H 4.25 0.02 1 1336 125 125 SER HB2 H 4.01 0.02 1 1337 125 125 SER C C 176.3 0.3 1 1338 125 125 SER CA C 61.4 0.3 1 1339 125 125 SER CB C 63.0 0.3 1 1340 125 125 SER N N 113.4 0.3 1 1341 126 126 MET H H 7.89 0.02 1 1342 126 126 MET HA H 4.20 0.02 1 1343 126 126 MET HB2 H 2.60 0.02 2 1344 126 126 MET HB3 H 2.16 0.02 2 1345 126 126 MET HE H 1.43 0.02 1 1346 126 126 MET HG2 H 2.62 0.02 2 1347 126 126 MET HG3 H 2.26 0.02 2 1348 126 126 MET C C 178.5 0.3 1 1349 126 126 MET CA C 57.1 0.3 1 1350 126 126 MET CB C 31.2 0.3 1 1351 126 126 MET CE C 17.6 0.3 1 1352 126 126 MET CG C 31.5 0.3 1 1353 126 126 MET N N 121.4 0.3 1 1354 127 127 LEU H H 7.82 0.02 1 1355 127 127 LEU HA H 3.69 0.02 1 1356 127 127 LEU HB2 H 2.01 0.02 2 1357 127 127 LEU HB3 H 1.00 0.02 2 1358 127 127 LEU HD1 H 0.47 0.02 1 1359 127 127 LEU HD2 H -0.37 0.02 1 1360 127 127 LEU HG H 1.63 0.02 1 1361 127 127 LEU C C 176.7 0.3 1 1362 127 127 LEU CA C 57.7 0.3 1 1363 127 127 LEU CB C 40.9 0.3 1 1364 127 127 LEU CD1 C 26.0 0.3 1 1365 127 127 LEU CD2 C 21.2 0.3 1 1366 127 127 LEU CG C 26.1 0.3 1 1367 127 127 LEU N N 120.6 0.3 1 1368 128 128 ALA H H 7.54 0.02 1 1369 128 128 ALA HA H 4.36 0.02 1 1370 128 128 ALA HB H 1.61 0.02 1 1371 128 128 ALA C C 178.1 0.3 1 1372 128 128 ALA CA C 53.9 0.3 1 1373 128 128 ALA CB C 19.5 0.3 1 1374 128 128 ALA N N 117.7 0.3 1 1375 129 129 GLU H H 8.06 0.02 1 1376 129 129 GLU HA H 4.23 0.02 1 1377 129 129 GLU HB2 H 1.95 0.02 1 1378 129 129 GLU HG2 H 2.22 0.02 1 1379 129 129 GLU C C 181.2 0.3 1 1380 129 129 GLU CA C 53.1 0.3 1 1381 129 129 GLU CB C 30.7 0.3 1 1382 129 129 GLU N N 117.9 0.3 1 1383 130 130 PRO HA H 4.24 0.02 1 1384 130 130 PRO HB2 H 0.27 0.02 2 1385 130 130 PRO HB3 H 0.93 0.02 2 1386 130 130 PRO HG2 H 1.71 0.02 2 1387 130 130 PRO HG3 H 1.89 0.02 2 1388 130 130 PRO C C 178.9 0.3 1 1389 130 130 PRO CA C 62.6 0.3 1 1390 130 130 PRO CB C 31.1 0.3 1 1391 130 130 PRO CD C 49.8 0.3 1 1392 130 130 PRO CG C 25.3 0.3 1 1393 131 131 ASN H H 8.48 0.02 1 1394 131 131 ASN HA H 4.66 0.02 1 1395 131 131 ASN HB2 H 2.87 0.02 2 1396 131 131 ASN HB3 H 2.80 0.02 2 1397 131 131 ASN HD21 H 7.60 0.02 1 1398 131 131 ASN HD22 H 7.04 0.02 1 1399 131 131 ASN C C 174.8 0.3 1 1400 131 131 ASN CA C 52.0 0.3 1 1401 131 131 ASN CB C 39.5 0.3 1 1402 131 131 ASN N N 118.7 0.3 1 1403 131 131 ASN ND2 N 113.2 0.3 1 1404 132 132 ASP H H 8.52 0.02 1 1405 132 132 ASP HA H 4.39 0.02 1 1406 132 132 ASP HB2 H 2.47 0.02 2 1407 132 132 ASP HB3 H 2.80 0.02 2 1408 132 132 ASP C C 176.6 0.3 1 1409 132 132 ASP CA C 54.4 0.3 1 1410 132 132 ASP CB C 40.7 0.3 1 1411 132 132 ASP N N 120.8 0.3 1 1412 133 133 GLU H H 8.38 0.02 1 1413 133 133 GLU HA H 4.11 0.02 1 1414 133 133 GLU HB2 H 1.95 0.02 2 1415 133 133 GLU HB3 H 2.00 0.02 2 1416 133 133 GLU HG2 H 2.10 0.02 2 1417 133 133 GLU HG3 H 2.22 0.02 2 1418 133 133 GLU C C 176.6 0.3 1 1419 133 133 GLU CA C 57.5 0.3 1 1420 133 133 GLU CB C 29.7 0.3 1 1421 133 133 GLU CG C 36.3 0.3 1 1422 133 133 GLU N N 120.0 0.3 1 1423 134 134 SER H H 7.66 0.02 1 1424 134 134 SER HA H 4.27 0.02 1 1425 134 134 SER HB2 H 3.66 0.02 1 1426 134 134 SER C C 174.9 0.3 1 1427 134 134 SER CA C 57.8 0.3 1 1428 134 134 SER CB C 63.9 0.3 1 1429 134 134 SER N N 113.8 0.3 1 1430 135 135 GLY H H 8.24 0.02 1 1431 135 135 GLY HA2 H 3.82 0.02 2 1432 135 135 GLY HA3 H 3.60 0.02 2 1433 135 135 GLY C C 173.6 0.3 1 1434 135 135 GLY CA C 45.8 0.3 1 1435 135 135 GLY N N 111.2 0.3 1 1436 136 136 ALA H H 7.83 0.02 1 1437 136 136 ALA HA H 3.63 0.02 1 1438 136 136 ALA HB H 0.37 0.02 1 1439 136 136 ALA C C 177.1 0.3 1 1440 136 136 ALA CA C 54.3 0.3 1 1441 136 136 ALA CB C 17.5 0.3 1 1442 136 136 ALA N N 125.7 0.3 1 1443 137 137 ASN H H 7.44 0.02 1 1444 137 137 ASN HA H 4.80 0.02 1 1445 137 137 ASN HB2 H 3.10 0.02 2 1446 137 137 ASN HB3 H 3.04 0.02 2 1447 137 137 ASN HD21 H 8.48 0.02 1 1448 137 137 ASN HD22 H 7.06 0.02 1 1449 137 137 ASN C C 176.8 0.3 1 1450 137 137 ASN CA C 51.2 0.3 1 1451 137 137 ASN CB C 38.0 0.3 1 1452 137 137 ASN N N 112.8 0.3 1 1453 138 138 VAL H H 8.87 0.02 1 1454 138 138 VAL HA H 3.71 0.02 1 1455 138 138 VAL HB H 2.12 0.02 1 1456 138 138 VAL HG1 H 1.03 0.02 1 1457 138 138 VAL HG2 H 1.08 0.02 1 1458 138 138 VAL C C 177.8 0.3 1 1459 138 138 VAL CA C 65.7 0.3 1 1460 138 138 VAL CB C 31.7 0.3 1 1461 138 138 VAL CG1 C 20.9 0.3 1 1462 138 138 VAL CG2 C 21.4 0.3 1 1463 138 138 VAL N N 126.1 0.3 1 1464 139 139 ASP H H 7.89 0.02 1 1465 139 139 ASP HA H 4.53 0.02 1 1466 139 139 ASP HB2 H 2.87 0.02 2 1467 139 139 ASP HB3 H 2.74 0.02 2 1468 139 139 ASP C C 179.3 0.3 1 1469 139 139 ASP CA C 57.5 0.3 1 1470 139 139 ASP CB C 40.2 0.3 1 1471 139 139 ASP N N 120.8 0.3 1 1472 140 140 ALA H H 7.41 0.02 1 1473 140 140 ALA HA H 3.87 0.02 1 1474 140 140 ALA HB H 0.14 0.02 1 1475 140 140 ALA C C 178.9 0.3 1 1476 140 140 ALA CA C 54.5 0.3 1 1477 140 140 ALA CB C 16.4 0.3 1 1478 140 140 ALA N N 122.0 0.3 1 1479 141 141 SER H H 8.32 0.02 1 1480 141 141 SER HA H 3.99 0.02 1 1481 141 141 SER HB2 H 4.04 0.02 2 1482 141 141 SER HB3 H 4.25 0.02 2 1483 141 141 SER C C 177.8 0.3 1 1484 141 141 SER CA C 62.8 0.3 1 1485 141 141 SER CB C 61.8 0.3 1 1486 141 141 SER N N 115.0 0.3 1 1487 142 142 LYS H H 8.11 0.02 1 1488 142 142 LYS HA H 3.96 0.02 1 1489 142 142 LYS HB2 H 1.95 0.02 2 1490 142 142 LYS HB3 H 1.87 0.02 2 1491 142 142 LYS HD2 H 1.70 0.02 1 1492 142 142 LYS HE2 H 2.99 0.02 1 1493 142 142 LYS HG2 H 1.61 0.02 2 1494 142 142 LYS HG3 H 1.47 0.02 2 1495 142 142 LYS C C 177.8 0.3 1 1496 142 142 LYS CA C 59.4 0.3 1 1497 142 142 LYS CB C 32.3 0.3 1 1498 142 142 LYS CD C 29.2 0.3 1 1499 142 142 LYS CE C 42.1 0.3 1 1500 142 142 LYS CG C 25.1 0.3 1 1501 142 142 LYS N N 120.8 0.3 1 1502 143 143 MET H H 7.81 0.02 1 1503 143 143 MET HA H 4.08 0.02 1 1504 143 143 MET HB2 H 2.67 0.02 2 1505 143 143 MET HB3 H 2.25 0.02 2 1506 143 143 MET HE H 2.10 0.02 1 1507 143 143 MET HG2 H 2.86 0.02 2 1508 143 143 MET HG3 H 2.76 0.02 2 1509 143 143 MET C C 177.9 0.3 1 1510 143 143 MET CA C 58.9 0.3 1 1511 143 143 MET CB C 34.2 0.3 1 1512 143 143 MET CE C 16.6 0.3 1 1513 143 143 MET CG C 32.3 0.3 1 1514 143 143 MET N N 118.5 0.3 1 1515 144 144 TRP H H 8.60 0.02 1 1516 144 144 TRP HA H 3.55 0.02 1 1517 144 144 TRP HB2 H 3.02 0.02 2 1518 144 144 TRP HB3 H 2.63 0.02 2 1519 144 144 TRP HD1 H 6.82 0.02 1 1520 144 144 TRP HE1 H 10.00 0.02 1 1521 144 144 TRP HE3 H 7.36 0.02 1 1522 144 144 TRP HH2 H 7.31 0.02 1 1523 144 144 TRP HZ2 H 7.45 0.02 1 1524 144 144 TRP HZ3 H 6.85 0.02 1 1525 144 144 TRP C C 176.6 0.3 1 1526 144 144 TRP CA C 60.8 0.3 1 1527 144 144 TRP CB C 29.0 0.3 1 1528 144 144 TRP CD1 C 125.8 0.3 1 1529 144 144 TRP CE3 C 124.4 0.3 1 1530 144 144 TRP CH2 C 124.3 0.3 1 1531 144 144 TRP CZ2 C 114.9 0.3 1 1532 144 144 TRP CZ3 C 121.4 0.3 1 1533 144 144 TRP N N 117.9 0.3 1 1534 144 144 TRP NE1 N 129.4 0.3 1 1535 145 145 ARG H H 7.41 0.02 1 1536 145 145 ARG HA H 3.88 0.02 1 1537 145 145 ARG HB2 H 1.92 0.02 2 1538 145 145 ARG HB3 H 1.79 0.02 2 1539 145 145 ARG HD2 H 3.25 0.02 2 1540 145 145 ARG HD3 H 3.18 0.02 2 1541 145 145 ARG HG2 H 1.60 0.02 2 1542 145 145 ARG HG3 H 1.77 0.02 2 1543 145 145 ARG C C 178.6 0.3 1 1544 145 145 ARG CA C 58.6 0.3 1 1545 145 145 ARG CB C 31.2 0.3 1 1546 145 145 ARG CD C 43.3 0.3 1 1547 145 145 ARG CG C 27.0 0.3 1 1548 145 145 ARG N N 114.4 0.3 1 1549 146 146 ASP H H 8.57 0.02 1 1550 146 146 ASP HA H 4.67 0.02 1 1551 146 146 ASP HB2 H 2.69 0.02 2 1552 146 146 ASP HB3 H 2.61 0.02 2 1553 146 146 ASP C C 176.7 0.3 1 1554 146 146 ASP CA C 55.7 0.3 1 1555 146 146 ASP CB C 41.8 0.3 1 1556 146 146 ASP N N 116.3 0.3 1 1557 147 147 ASP H H 8.87 0.02 1 1558 147 147 ASP HA H 4.80 0.02 1 1559 147 147 ASP HB2 H 2.38 0.02 2 1560 147 147 ASP HB3 H 2.98 0.02 2 1561 147 147 ASP C C 174.9 0.3 1 1562 147 147 ASP CA C 52.4 0.3 1 1563 147 147 ASP CB C 40.0 0.3 1 1564 147 147 ASP N N 123.5 0.3 1 1565 148 148 ARG H H 8.44 0.02 1 1566 148 148 ARG HA H 3.50 0.02 1 1567 148 148 ARG HB2 H 1.57 0.02 2 1568 148 148 ARG HB3 H 1.37 0.02 2 1569 148 148 ARG HD2 H 2.23 0.02 2 1570 148 148 ARG HD3 H 1.99 0.02 2 1571 148 148 ARG HG2 H 1.16 0.02 2 1572 148 148 ARG HG3 H 0.64 0.02 2 1573 148 148 ARG C C 177.6 0.3 1 1574 148 148 ARG CA C 58.6 0.3 1 1575 148 148 ARG CB C 28.8 0.3 1 1576 148 148 ARG CD C 41.2 0.3 1 1577 148 148 ARG CG C 25.4 0.3 1 1578 148 148 ARG N N 124.9 0.3 1 1579 149 149 GLU H H 8.42 0.02 1 1580 149 149 GLU HA H 3.98 0.02 1 1581 149 149 GLU HB2 H 1.98 0.02 2 1582 149 149 GLU HB3 H 2.07 0.02 2 1583 149 149 GLU HG2 H 2.35 0.02 2 1584 149 149 GLU HG3 H 2.26 0.02 2 1585 149 149 GLU C C 179.8 0.3 1 1586 149 149 GLU CA C 59.6 0.3 1 1587 149 149 GLU CB C 29.1 0.3 1 1588 149 149 GLU CG C 36.4 0.3 1 1589 149 149 GLU N N 114.9 0.3 1 1590 150 150 GLN H H 7.47 0.02 1 1591 150 150 GLN HA H 4.09 0.02 1 1592 150 150 GLN HB2 H 2.05 0.02 2 1593 150 150 GLN HB3 H 2.20 0.02 2 1594 150 150 GLN HE21 H 7.43 0.02 1 1595 150 150 GLN HE22 H 6.93 0.02 1 1596 150 150 GLN HG2 H 2.45 0.02 2 1597 150 150 GLN HG3 H 2.56 0.02 2 1598 150 150 GLN C C 177.8 0.3 1 1599 150 150 GLN CA C 58.1 0.3 1 1600 150 150 GLN CB C 27.6 0.3 1 1601 150 150 GLN CG C 34.0 0.3 1 1602 150 150 GLN N N 120.8 0.3 1 1603 150 150 GLN NE2 N 111.2 0.3 1 1604 151 151 PHE H H 8.13 0.02 1 1605 151 151 PHE HA H 4.07 0.02 1 1606 151 151 PHE HB2 H 2.70 0.02 2 1607 151 151 PHE HB3 H 3.61 0.02 2 1608 151 151 PHE HD1 H 7.35 0.02 1 1609 151 151 PHE HE1 H 6.90 0.02 1 1610 151 151 PHE HZ H 7.37 0.02 1 1611 151 151 PHE C C 177.3 0.3 1 1612 151 151 PHE CA C 62.7 0.3 1 1613 151 151 PHE CB C 38.9 0.3 1 1614 151 151 PHE CD1 C 132.0 0.3 1 1615 151 151 PHE CE1 C 132.2 0.3 1 1616 151 151 PHE CZ C 132.1 0.3 1 1617 151 151 PHE N N 121.0 0.3 1 1618 152 152 TYR H H 8.67 0.02 1 1619 152 152 TYR HA H 4.45 0.02 1 1620 152 152 TYR HB2 H 3.34 0.02 2 1621 152 152 TYR HB3 H 3.19 0.02 2 1622 152 152 TYR HD1 H 7.35 0.02 1 1623 152 152 TYR HE1 H 6.95 0.02 1 1624 152 152 TYR C C 178.6 0.3 1 1625 152 152 TYR CA C 59.0 0.3 1 1626 152 152 TYR CB C 36.9 0.3 1 1627 152 152 TYR CD1 C 131.9 0.3 1 1628 152 152 TYR CE1 C 118.1 0.3 1 1629 152 152 TYR N N 117.5 0.3 1 1630 153 153 LYS H H 7.62 0.02 1 1631 153 153 LYS HA H 4.02 0.02 1 1632 153 153 LYS HB2 H 2.05 0.02 2 1633 153 153 LYS HB3 H 1.98 0.02 2 1634 153 153 LYS HD2 H 1.70 0.02 2 1635 153 153 LYS HD3 H 1.65 0.02 2 1636 153 153 LYS HE2 H 2.95 0.02 1 1637 153 153 LYS HG2 H 1.71 0.02 2 1638 153 153 LYS HG3 H 1.37 0.02 2 1639 153 153 LYS C C 179.7 0.3 1 1640 153 153 LYS CA C 60.0 0.3 1 1641 153 153 LYS CB C 32.3 0.3 1 1642 153 153 LYS CD C 29.5 0.3 1 1643 153 153 LYS CE C 42.0 0.3 1 1644 153 153 LYS CG C 25.2 0.3 1 1645 153 153 LYS N N 120.0 0.3 1 1646 154 154 ILE H H 8.11 0.02 1 1647 154 154 ILE HA H 3.56 0.02 1 1648 154 154 ILE HB H 1.57 0.02 1 1649 154 154 ILE HD1 H 0.44 0.02 1 1650 154 154 ILE HG12 H 0.97 0.02 2 1651 154 154 ILE HG13 H 1.38 0.02 2 1652 154 154 ILE HG2 H 0.22 0.02 1 1653 154 154 ILE C C 178.4 0.3 1 1654 154 154 ILE CA C 64.2 0.3 1 1655 154 154 ILE CB C 37.0 0.3 1 1656 154 154 ILE CD1 C 12.4 0.3 1 1657 154 154 ILE CG1 C 28.5 0.3 1 1658 154 154 ILE CG2 C 17.0 0.3 1 1659 154 154 ILE N N 122.4 0.3 1 1660 155 155 ALA H H 8.82 0.02 1 1661 155 155 ALA HA H 3.88 0.02 1 1662 155 155 ALA HB H 0.98 0.02 1 1663 155 155 ALA C C 179.4 0.3 1 1664 155 155 ALA CA C 55.6 0.3 1 1665 155 155 ALA CB C 18.8 0.3 1 1666 155 155 ALA N N 123.5 0.3 1 1667 156 156 LYS H H 7.86 0.02 1 1668 156 156 LYS HA H 4.09 0.02 1 1669 156 156 LYS HB2 H 1.99 0.02 1 1670 156 156 LYS HD2 H 1.74 0.02 1 1671 156 156 LYS HE2 H 2.96 0.02 1 1672 156 156 LYS HG2 H 1.70 0.02 2 1673 156 156 LYS HG3 H 1.54 0.02 2 1674 156 156 LYS C C 179.7 0.3 1 1675 156 156 LYS CA C 59.4 0.3 1 1676 156 156 LYS CB C 31.9 0.3 1 1677 156 156 LYS CD C 29.1 0.3 1 1678 156 156 LYS CE C 42.2 0.3 1 1679 156 156 LYS CG C 25.4 0.3 1 1680 156 156 LYS N N 115.9 0.3 1 1681 157 157 GLN H H 7.59 0.02 1 1682 157 157 GLN HA H 4.15 0.02 1 1683 157 157 GLN HB2 H 2.44 0.02 2 1684 157 157 GLN HB3 H 2.14 0.02 2 1685 157 157 GLN HE21 H 7.37 0.02 1 1686 157 157 GLN HE22 H 6.80 0.02 1 1687 157 157 GLN HG2 H 2.35 0.02 2 1688 157 157 GLN HG3 H 2.59 0.02 2 1689 157 157 GLN C C 178.8 0.3 1 1690 157 157 GLN CA C 58.7 0.3 1 1691 157 157 GLN CB C 28.0 0.3 1 1692 157 157 GLN CG C 33.9 0.3 1 1693 157 157 GLN N N 120.1 0.3 1 1694 157 157 GLN NE2 N 110.8 0.3 1 1695 158 158 ILE H H 8.51 0.02 1 1696 158 158 ILE HA H 3.84 0.02 1 1697 158 158 ILE HB H 2.76 0.02 1 1698 158 158 ILE HD1 H 0.66 0.02 1 1699 158 158 ILE HG12 H 1.73 0.02 2 1700 158 158 ILE HG13 H 1.46 0.02 2 1701 158 158 ILE HG2 H 1.20 0.02 1 1702 158 158 ILE C C 180.2 0.3 1 1703 158 158 ILE CA C 62.7 0.3 1 1704 158 158 ILE CB C 36.1 0.3 1 1705 158 158 ILE CD1 C 10.2 0.3 1 1706 158 158 ILE CG1 C 27.8 0.3 1 1707 158 158 ILE CG2 C 18.6 0.3 1 1708 158 158 ILE N N 122.8 0.3 1 1709 159 159 VAL H H 8.81 0.02 1 1710 159 159 VAL HA H 3.72 0.02 1 1711 159 159 VAL HB H 2.56 0.02 1 1712 159 159 VAL HG1 H 1.00 0.02 1 1713 159 159 VAL HG2 H 1.43 0.02 1 1714 159 159 VAL C C 179.3 0.3 1 1715 159 159 VAL CA C 67.6 0.3 1 1716 159 159 VAL CB C 31.5 0.3 1 1717 159 159 VAL CG1 C 20.2 0.3 1 1718 159 159 VAL CG2 C 24.0 0.3 1 1719 159 159 VAL N N 123.1 0.3 1 1720 160 160 GLN H H 8.38 0.02 1 1721 160 160 GLN HA H 3.93 0.02 1 1722 160 160 GLN HB2 H 2.30 0.02 2 1723 160 160 GLN HB3 H 2.16 0.02 2 1724 160 160 GLN HE21 H 7.56 0.02 1 1725 160 160 GLN HE22 H 6.79 0.02 1 1726 160 160 GLN HG2 H 2.45 0.02 2 1727 160 160 GLN HG3 H 2.54 0.02 2 1728 160 160 GLN C C 178.9 0.3 1 1729 160 160 GLN CA C 59.6 0.3 1 1730 160 160 GLN CB C 28.0 0.3 1 1731 160 160 GLN CG C 33.9 0.3 1 1732 160 160 GLN N N 119.8 0.3 1 1733 160 160 GLN NE2 N 111.8 0.3 1 1734 161 161 LYS H H 8.57 0.02 1 1735 161 161 LYS HA H 4.23 0.02 1 1736 161 161 LYS HB2 H 1.97 0.02 2 1737 161 161 LYS HB3 H 2.03 0.02 2 1738 161 161 LYS HD2 H 1.71 0.02 2 1739 161 161 LYS HD3 H 1.59 0.02 2 1740 161 161 LYS HE2 H 2.90 0.02 2 1741 161 161 LYS HE3 H 2.93 0.02 2 1742 161 161 LYS HG2 H 1.70 0.02 2 1743 161 161 LYS HG3 H 1.57 0.02 2 1744 161 161 LYS C C 180.6 0.3 1 1745 161 161 LYS CA C 59.3 0.3 1 1746 161 161 LYS CB C 32.4 0.3 1 1747 161 161 LYS CD C 29.3 0.3 1 1748 161 161 LYS CE C 41.9 0.3 1 1749 161 161 LYS CG C 25.9 0.3 1 1750 161 161 LYS N N 118.8 0.3 1 1751 162 162 SER H H 8.26 0.02 1 1752 162 162 SER HA H 4.39 0.02 1 1753 162 162 SER HB2 H 4.29 0.02 1 1754 162 162 SER C C 175.0 0.3 1 1755 162 162 SER CA C 62.1 0.3 1 1756 162 162 SER CB C 61.8 0.3 1 1757 162 162 SER N N 119.3 0.3 1 1758 163 163 LEU H H 7.37 0.02 1 1759 163 163 LEU HA H 4.46 0.02 1 1760 163 163 LEU HB2 H 1.62 0.02 2 1761 163 163 LEU HB3 H 1.47 0.02 2 1762 163 163 LEU HD1 H 0.83 0.02 1 1763 163 163 LEU HD2 H 0.94 0.02 1 1764 163 163 LEU HG H 1.90 0.02 1 1765 163 163 LEU C C 177.6 0.3 1 1766 163 163 LEU CA C 54.7 0.3 1 1767 163 163 LEU CB C 42.6 0.3 1 1768 163 163 LEU CD1 C 25.2 0.3 1 1769 163 163 LEU CD2 C 21.6 0.3 1 1770 163 163 LEU CG C 26.2 0.3 1 1771 163 163 LEU N N 122.0 0.3 1 1772 164 164 GLY H H 7.98 0.02 1 1773 164 164 GLY HA2 H 3.92 0.02 2 1774 164 164 GLY HA3 H 4.05 0.02 2 1775 164 164 GLY C C 173.8 0.3 1 1776 164 164 GLY CA C 45.8 0.3 1 1777 164 164 GLY N N 108.3 0.3 1 1778 165 165 LEU H H 7.69 0.02 1 1779 165 165 LEU HA H 4.26 0.02 1 1780 165 165 LEU HB2 H 1.58 0.02 1 1781 165 165 LEU HD1 H 0.90 0.02 1 1782 165 165 LEU HD2 H 0.84 0.02 1 1783 165 165 LEU HG H 1.49 0.02 1 1784 165 165 LEU C C 172.0 0.3 1 1785 165 165 LEU CA C 55.4 0.3 1 1786 165 165 LEU CB C 43.4 0.3 1 1787 165 165 LEU CD1 C 25.6 0.3 1 1788 165 165 LEU CD2 C 22.7 0.3 1 1789 165 165 LEU CG C 26.8 0.3 1 1790 165 165 LEU N N 126.7 0.3 1 stop_ save_