data_15452 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 1H, 15N and 13C assignments of the human G-actin binding protein profilin II ; _BMRB_accession_number 15452 _BMRB_flat_file_name bmr15452.str _Entry_type original _Submission_date 2007-08-31 _Accession_date 2007-08-31 _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 Peti Wolfgang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 684 "13C chemical shifts" 532 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-12 update BMRB 'added PubMed ID' 2008-01-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and sidechain (1)H, (15)N and (13)C assignments of the human G-actin binding protein profilin IIa' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636866 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ju Tingting . . 2 Peti Wolfgang . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 205 _Page_last 207 _Year 2007 _Details . loop_ _Keyword Actin cytoskeleton poly-L-proline 'Profilin II' Structure stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'profilin II' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'profilin II' $profilin_II 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_profilin_II _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common profilin_II _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; GAMGASAGWQSYVDNLMCDG CCQEAAIVGYCDAKYVWAAT AGGVFQSITPIEIDMIVGKD REGFFTNGLTLGAKKCSVIR DSLYVDGDCTMDIRTKSQGG EPTYNVAVGRAGRVLVFVMG KEGVHGGGLNKKAYSMAKYL RDSGF ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 ALA 6 SER 7 ALA 8 GLY 9 TRP 10 GLN 11 SER 12 TYR 13 VAL 14 ASP 15 ASN 16 LEU 17 MET 18 CYS 19 ASP 20 GLY 21 CYS 22 CYS 23 GLN 24 GLU 25 ALA 26 ALA 27 ILE 28 VAL 29 GLY 30 TYR 31 CYS 32 ASP 33 ALA 34 LYS 35 TYR 36 VAL 37 TRP 38 ALA 39 ALA 40 THR 41 ALA 42 GLY 43 GLY 44 VAL 45 PHE 46 GLN 47 SER 48 ILE 49 THR 50 PRO 51 ILE 52 GLU 53 ILE 54 ASP 55 MET 56 ILE 57 VAL 58 GLY 59 LYS 60 ASP 61 ARG 62 GLU 63 GLY 64 PHE 65 PHE 66 THR 67 ASN 68 GLY 69 LEU 70 THR 71 LEU 72 GLY 73 ALA 74 LYS 75 LYS 76 CYS 77 SER 78 VAL 79 ILE 80 ARG 81 ASP 82 SER 83 LEU 84 TYR 85 VAL 86 ASP 87 GLY 88 ASP 89 CYS 90 THR 91 MET 92 ASP 93 ILE 94 ARG 95 THR 96 LYS 97 SER 98 GLN 99 GLY 100 GLY 101 GLU 102 PRO 103 THR 104 TYR 105 ASN 106 VAL 107 ALA 108 VAL 109 GLY 110 ARG 111 ALA 112 GLY 113 ARG 114 VAL 115 LEU 116 VAL 117 PHE 118 VAL 119 MET 120 GLY 121 LYS 122 GLU 123 GLY 124 VAL 125 HIS 126 GLY 127 GLY 128 GLY 129 LEU 130 ASN 131 LYS 132 LYS 133 ALA 134 TYR 135 SER 136 MET 137 ALA 138 LYS 139 TYR 140 LEU 141 ARG 142 ASP 143 SER 144 GLY 145 PHE 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 2V8C "Mouse Profilin Iia In Complex With The Proline-Rich Domain Of Vasp" 95.86 140 99.28 100.00 7.29e-96 PDB 2V8F "Mouse Profilin Iia In Complex With A Double Repeat From The Fh1 Domain Of Mdia1" 95.86 140 98.56 99.28 1.44e-94 DBJ BAE01927 "unnamed protein product [Macaca fascicularis]" 95.86 140 100.00 100.00 4.76e-96 DBJ BAE21281 "unnamed protein product [Mus musculus]" 95.86 140 99.28 100.00 7.29e-96 DBJ BAE37648 "unnamed protein product [Mus musculus]" 62.76 91 100.00 100.00 2.78e-57 DBJ BAG34725 "unnamed protein product [Homo sapiens]" 95.86 140 100.00 100.00 4.76e-96 DBJ BAG73581 "profilin 2 [synthetic construct]" 95.86 140 100.00 100.00 4.76e-96 EMBL CAB87382 "profilin II [Mus musculus]" 95.86 140 99.28 100.00 7.29e-96 EMBL CAG31543 "hypothetical protein RCJMB04_7m18 [Gallus gallus]" 95.86 140 98.56 100.00 1.24e-95 EMBL CAH91416 "hypothetical protein [Pongo abelii]" 95.86 140 100.00 100.00 4.76e-96 EMBL CAH92677 "hypothetical protein [Pongo abelii]" 95.86 140 99.28 99.28 6.99e-95 EMBL CAH93174 "hypothetical protein [Pongo abelii]" 95.86 140 99.28 99.28 3.47e-95 GB AAG09756 "profilin II [Mus musculus]" 95.86 140 98.56 99.28 4.56e-95 GB AAG24949 "profilin IIa [Homo sapiens]" 95.86 140 100.00 100.00 4.76e-96 GB AAH18049 "Profilin 2 [Homo sapiens]" 95.86 140 99.28 99.28 2.64e-95 GB AAH24363 "Profilin 2 [Mus musculus]" 95.86 140 99.28 100.00 7.29e-96 GB AAH43646 "Profilin 2 [Homo sapiens]" 95.86 140 100.00 100.00 4.76e-96 REF NP_001073228 "profilin-2 [Gallus gallus]" 95.86 140 98.56 100.00 1.24e-95 REF NP_001121669 "profilin-2 [Bos taurus]" 95.86 140 99.28 100.00 7.29e-96 REF NP_001126567 "profilin-2 [Pongo abelii]" 95.86 140 99.28 99.28 6.99e-95 REF NP_001270511 "profilin-2 [Macaca fascicularis]" 95.86 140 100.00 100.00 4.76e-96 REF NP_062283 "profilin-2 [Mus musculus]" 95.86 140 99.28 100.00 7.29e-96 SP P35080 "RecName: Full=Profilin-2; AltName: Full=Profilin II" 95.86 140 100.00 100.00 4.76e-96 SP Q09430 "RecName: Full=Profilin-2; AltName: Full=Profilin II" 95.86 140 99.28 100.00 7.29e-96 SP Q4R4P8 "RecName: Full=Profilin-2; AltName: Full=Profilin II" 95.86 140 100.00 100.00 4.76e-96 SP Q5R4E2 "RecName: Full=Profilin-2; AltName: Full=Profilin II" 95.86 140 100.00 100.00 4.76e-96 SP Q9JJV2 "RecName: Full=Profilin-2; AltName: Full=Profilin II" 95.86 140 99.28 100.00 7.29e-96 TPG DAA33153 "TPA: profilin-2 [Bos taurus]" 95.86 140 99.28 100.00 7.29e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $profilin_II 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 $profilin_II 'recombinant technology' . Escherichia coli . pETM30GST 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 $profilin_II 1 mM '[U-99% 13C; U-99% 15N]' Na-phosphate 20 mM . NaCl 50 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $profilin_II 0.7 mM '[U-99% 15N]' Na-phosphate 20 mM . NaCl 50 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $profilin_II 1 mM 'natural abundance' Na-phosphate 20 mM . NaCl 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version CARA loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details CARA save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 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 5.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'profilin II' _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 H H 8.64 0.02 1 2 2 2 ALA HA H 4.33 0.02 1 3 2 2 ALA HB H 1.34 0.02 1 4 2 2 ALA C C 177.8 0.2 1 5 2 2 ALA CA C 52.4 0.2 1 6 2 2 ALA CB C 19.3 0.2 1 7 2 2 ALA N N 123.8 0.2 1 8 3 3 MET H H 8.52 0.02 1 9 3 3 MET HA H 4.41 0.02 1 10 3 3 MET HB2 H 1.95 0.02 1 11 3 3 MET HG2 H 2.46 0.02 1 12 3 3 MET HG3 H 2.41 0.02 1 13 3 3 MET C C 176.7 0.2 1 14 3 3 MET CA C 55.6 0.2 1 15 3 3 MET CB C 32.6 0.2 1 16 3 3 MET CG C 31.8 0.2 1 17 3 3 MET N N 120.0 0.2 1 18 4 4 GLY H H 8.30 0.02 1 19 4 4 GLY HA2 H 3.92 0.02 1 20 4 4 GLY HA3 H 3.86 0.02 1 21 4 4 GLY C C 174.9 0.2 1 22 4 4 GLY CA C 45.2 0.2 1 23 4 4 GLY N N 110.2 0.2 1 24 5 5 ALA H H 8.24 0.02 1 25 5 5 ALA HA H 4.26 0.02 1 26 5 5 ALA HB H 1.34 0.02 1 27 5 5 ALA C C 178.2 0.2 1 28 5 5 ALA CA C 52.7 0.2 1 29 5 5 ALA CB C 19.0 0.2 1 30 5 5 ALA N N 124.0 0.2 1 31 6 6 SER H H 8.37 0.02 1 32 6 6 SER HA H 4.40 0.02 1 33 6 6 SER HB2 H 3.90 0.02 1 34 6 6 SER C C 174.6 0.2 1 35 6 6 SER CA C 58.8 0.2 1 36 6 6 SER CB C 63.4 0.2 1 37 6 6 SER N N 114.9 0.2 1 38 7 7 ALA H H 8.23 0.02 1 39 7 7 ALA HA H 4.28 0.02 1 40 7 7 ALA HB H 1.32 0.02 1 41 7 7 ALA C C 178.3 0.2 1 42 7 7 ALA CA C 52.8 0.2 1 43 7 7 ALA CB C 19.0 0.2 1 44 7 7 ALA N N 125.4 0.2 1 45 8 8 GLY H H 8.13 0.02 1 46 8 8 GLY HA2 H 3.84 0.02 1 47 8 8 GLY HA3 H 3.74 0.02 1 48 8 8 GLY C C 175.6 0.2 1 49 8 8 GLY CA C 45.5 0.2 1 50 8 8 GLY N N 106.9 0.2 1 51 9 9 TRP H H 8.00 0.02 1 52 9 9 TRP HA H 4.71 0.02 1 53 9 9 TRP HB2 H 3.44 0.02 1 54 9 9 TRP HB3 H 3.14 0.02 1 55 9 9 TRP HD1 H 7.36 0.02 1 56 9 9 TRP HE1 H 9.88 0.02 1 57 9 9 TRP C C 177.9 0.2 1 58 9 9 TRP CA C 59.5 0.2 1 59 9 9 TRP CB C 29.7 0.2 1 60 9 9 TRP N N 121.4 0.2 1 61 10 10 GLN H H 8.68 0.02 1 62 10 10 GLN HA H 3.83 0.02 1 63 10 10 GLN HB2 H 2.34 0.02 1 64 10 10 GLN HB3 H 2.07 0.02 1 65 10 10 GLN HG2 H 2.52 0.02 1 66 10 10 GLN C C 177.6 0.2 1 67 10 10 GLN CA C 58.5 0.2 1 68 10 10 GLN CB C 27.7 0.2 1 69 10 10 GLN CG C 32.9 0.2 1 70 10 10 GLN N N 120.1 0.2 1 71 11 11 SER H H 7.92 0.02 1 72 11 11 SER HA H 4.18 0.02 1 73 11 11 SER HB2 H 3.75 0.02 1 74 11 11 SER HB3 H 3.69 0.02 1 75 11 11 SER C C 176.9 0.2 1 76 11 11 SER CA C 61.5 0.2 1 77 11 11 SER CB C 62.3 0.2 1 78 11 11 SER N N 113.8 0.2 1 79 12 12 TYR H H 7.39 0.02 1 80 12 12 TYR HA H 4.20 0.02 1 81 12 12 TYR HB2 H 3.35 0.02 1 82 12 12 TYR HB3 H 3.15 0.02 1 83 12 12 TYR HD1 H 7.30 0.02 1 84 12 12 TYR HE1 H 6.49 0.02 1 85 12 12 TYR C C 178.2 0.2 1 86 12 12 TYR CA C 61.8 0.2 1 87 12 12 TYR CB C 37.6 0.2 1 88 12 12 TYR N N 121.5 0.2 1 89 13 13 VAL H H 7.13 0.02 1 90 13 13 VAL HA H 3.47 0.02 1 91 13 13 VAL HB H 2.36 0.02 1 92 13 13 VAL HG1 H 0.90 0.02 1 93 13 13 VAL C C 177.4 0.2 1 94 13 13 VAL CA C 67.4 0.2 1 95 13 13 VAL CB C 31.3 0.2 1 96 13 13 VAL CG1 C 23.6 0.2 1 97 13 13 VAL N N 120.4 0.2 1 98 14 14 ASP H H 8.54 0.02 1 99 14 14 ASP HA H 4.25 0.02 1 100 14 14 ASP HB2 H 2.70 0.02 1 101 14 14 ASP HB3 H 2.61 0.02 1 102 14 14 ASP C C 179.5 0.2 1 103 14 14 ASP CA C 57.4 0.2 1 104 14 14 ASP CB C 39.4 0.2 1 105 14 14 ASP N N 119.1 0.2 1 106 15 15 ASN H H 7.90 0.02 1 107 15 15 ASN HA H 4.40 0.02 1 108 15 15 ASN HB2 H 2.82 0.02 1 109 15 15 ASN HB3 H 2.62 0.02 1 110 15 15 ASN C C 178.2 0.2 1 111 15 15 ASN CA C 56.8 0.2 1 112 15 15 ASN CB C 39.2 0.2 1 113 15 15 ASN N N 119.1 0.2 1 114 16 16 LEU H H 7.90 0.02 1 115 16 16 LEU HA H 4.09 0.02 1 116 16 16 LEU HB2 H 2.13 0.02 1 117 16 16 LEU HB3 H 1.26 0.02 1 118 16 16 LEU HD1 H 0.82 0.02 2 119 16 16 LEU HG H 0.84 0.02 1 120 16 16 LEU C C 178.5 0.2 1 121 16 16 LEU CA C 57.8 0.2 1 122 16 16 LEU CB C 42.3 0.2 1 123 16 16 LEU CD1 C 23.3 0.2 1 124 16 16 LEU CG C 26.7 0.2 1 125 16 16 LEU N N 120.8 0.2 1 126 17 17 MET H H 7.73 0.02 1 127 17 17 MET HA H 4.54 0.02 1 128 17 17 MET HB2 H 1.99 0.02 1 129 17 17 MET HG2 H 2.51 0.02 1 130 17 17 MET HG3 H 2.43 0.02 1 131 17 17 MET C C 179.6 0.2 1 132 17 17 MET CA C 55.0 0.2 1 133 17 17 MET CB C 32.1 0.2 1 134 17 17 MET CG C 35.2 0.2 1 135 17 17 MET N N 114.8 0.2 1 136 18 18 CYS H H 7.56 0.02 1 137 18 18 CYS HA H 4.23 0.02 1 138 18 18 CYS HB2 H 3.13 0.02 1 139 18 18 CYS HB3 H 3.08 0.02 1 140 18 18 CYS C C 175.8 0.2 1 141 18 18 CYS CA C 62.8 0.2 1 142 18 18 CYS CB C 27.0 0.2 1 143 18 18 CYS N N 120.1 0.2 1 144 19 19 ASP HA H 4.52 0.02 1 145 19 19 ASP HB2 H 3.17 0.02 1 146 19 19 ASP HB3 H 2.68 0.02 1 147 19 19 ASP CA C 54.3 0.2 1 148 19 19 ASP CB C 40.0 0.2 1 149 20 20 GLY H H 7.69 0.02 1 150 20 20 GLY HA2 H 4.22 0.02 1 151 20 20 GLY HA3 H 4.14 0.02 1 152 20 20 GLY C C 175.4 0.2 1 153 20 20 GLY CA C 46.6 0.2 1 154 20 20 GLY N N 107.0 0.2 1 155 21 21 CYS H H 8.00 0.02 1 156 21 21 CYS HA H 4.70 0.02 1 157 21 21 CYS HB2 H 3.05 0.02 1 158 21 21 CYS C C 174.9 0.2 1 159 21 21 CYS CA C 60.3 0.2 1 160 21 21 CYS CB C 28.3 0.2 1 161 21 21 CYS N N 116.1 0.2 1 162 22 22 CYS H H 8.46 0.02 1 163 22 22 CYS HA H 5.05 0.02 1 164 22 22 CYS HB2 H 3.12 0.02 1 165 22 22 CYS HB3 H 2.96 0.02 1 166 22 22 CYS C C 174.1 0.2 1 167 22 22 CYS CA C 59.3 0.2 1 168 22 22 CYS CB C 29.5 0.2 1 169 22 22 CYS N N 117.2 0.2 1 170 23 23 GLN H H 9.08 0.02 1 171 23 23 GLN HA H 4.26 0.02 1 172 23 23 GLN HB2 H 1.95 0.02 1 173 23 23 GLN HB3 H 1.44 0.02 1 174 23 23 GLN HG2 H 1.89 0.02 1 175 23 23 GLN C C 175.3 0.2 1 176 23 23 GLN CA C 56.0 0.2 1 177 23 23 GLN CB C 30.8 0.2 1 178 23 23 GLN CG C 32.8 0.2 1 179 23 23 GLN N N 121.8 0.2 1 180 24 24 GLU H H 7.38 0.02 1 181 24 24 GLU HA H 4.93 0.02 1 182 24 24 GLU HB2 H 2.38 0.02 1 183 24 24 GLU HB3 H 1.68 0.02 1 184 24 24 GLU HG2 H 1.80 0.02 1 185 24 24 GLU HG3 H 1.52 0.02 1 186 24 24 GLU C C 174.7 0.2 1 187 24 24 GLU CA C 56.0 0.2 1 188 24 24 GLU CB C 35.3 0.2 1 189 24 24 GLU CG C 35.8 0.2 1 190 24 24 GLU N N 112.1 0.2 1 191 25 25 ALA H H 8.49 0.02 1 192 25 25 ALA HA H 5.51 0.02 1 193 25 25 ALA HB H 1.56 0.02 1 194 25 25 ALA C C 175.4 0.2 1 195 25 25 ALA CA C 51.3 0.2 1 196 25 25 ALA CB C 24.3 0.2 1 197 25 25 ALA N N 119.7 0.2 1 198 26 26 ALA H H 9.11 0.02 1 199 26 26 ALA HA H 5.13 0.02 1 200 26 26 ALA HB H 1.25 0.02 1 201 26 26 ALA C C 174.4 0.2 1 202 26 26 ALA CA C 52.6 0.2 1 203 26 26 ALA CB C 23.8 0.2 1 204 26 26 ALA N N 117.6 0.2 1 205 27 27 ILE H H 8.83 0.02 1 206 27 27 ILE HA H 4.83 0.02 1 207 27 27 ILE HB H 1.84 0.02 1 208 27 27 ILE HD1 H 0.85 0.02 1 209 27 27 ILE HG12 H 1.67 0.02 1 210 27 27 ILE HG13 H 1.56 0.02 1 211 27 27 ILE HG2 H 0.31 0.02 1 212 27 27 ILE C C 175.5 0.2 1 213 27 27 ILE CA C 58.5 0.2 1 214 27 27 ILE CB C 38.4 0.2 1 215 27 27 ILE CD1 C 10.5 0.2 1 216 27 27 ILE CG1 C 26.5 0.2 1 217 27 27 ILE CG2 C 16.4 0.2 1 218 27 27 ILE N N 119.9 0.2 1 219 28 28 VAL H H 8.90 0.02 1 220 28 28 VAL HA H 4.17 0.02 1 221 28 28 VAL HB H 1.84 0.02 1 222 28 28 VAL HG1 H 0.69 0.02 2 223 28 28 VAL HG2 H 0.71 0.02 2 224 28 28 VAL C C 174.3 0.2 1 225 28 28 VAL CA C 60.6 0.2 1 226 28 28 VAL CB C 36.7 0.2 1 227 28 28 VAL CG1 C 22.5 0.2 1 228 28 28 VAL CG2 C 21.2 0.2 1 229 28 28 VAL N N 127.6 0.2 1 230 29 29 GLY H H 7.90 0.02 1 231 29 29 GLY HA2 H 3.93 0.02 1 232 29 29 GLY HA3 H 4.63 0.02 1 233 29 29 GLY C C 172.8 0.2 1 234 29 29 GLY CA C 46.4 0.2 1 235 29 29 GLY N N 115.5 0.2 1 236 30 30 TYR H H 7.34 0.02 1 237 30 30 TYR HA H 5.13 0.02 1 238 30 30 TYR HB2 H 2.18 0.02 1 239 30 30 TYR HB3 H 3.13 0.02 1 240 30 30 TYR HD1 H 6.66 0.02 1 241 30 30 TYR C C 173.3 0.2 1 242 30 30 TYR CA C 55.9 0.2 1 243 30 30 TYR CB C 39.9 0.2 1 244 30 30 TYR N N 112.0 0.2 1 245 31 31 CYS H H 7.83 0.02 1 246 31 31 CYS HA H 4.56 0.02 1 247 31 31 CYS HB2 H 2.81 0.02 1 248 31 31 CYS HB3 H 2.69 0.02 1 249 31 31 CYS C C 173.3 0.2 1 250 31 31 CYS CA C 58.6 0.2 1 251 31 31 CYS CB C 26.9 0.2 1 252 31 31 CYS N N 120.4 0.2 1 253 32 32 ASP HA H 4.41 0.02 1 254 32 32 ASP HB2 H 2.83 0.02 1 255 32 32 ASP HB3 H 2.65 0.02 1 256 32 32 ASP CA C 55.1 0.2 1 257 32 32 ASP CB C 40.3 0.2 1 258 33 33 ALA H H 7.41 0.02 1 259 33 33 ALA HA H 4.52 0.02 1 260 33 33 ALA HB H 1.28 0.02 1 261 33 33 ALA C C 175.5 0.2 1 262 33 33 ALA CA C 51.0 0.2 1 263 33 33 ALA CB C 18.0 0.2 1 264 33 33 ALA N N 125.5 0.2 1 265 34 34 LYS H H 8.02 0.02 1 266 34 34 LYS HA H 4.05 0.02 1 267 34 34 LYS HB2 H 1.73 0.02 1 268 34 34 LYS HB3 H 1.50 0.02 1 269 34 34 LYS HE2 H 2.91 0.02 1 270 34 34 LYS HE3 H 2.85 0.02 1 271 34 34 LYS HG2 H 1.27 0.02 1 272 34 34 LYS C C 172.9 0.2 1 273 34 34 LYS CA C 55.3 0.2 1 274 34 34 LYS CB C 30.8 0.2 1 275 34 34 LYS CE C 41.1 0.2 1 276 34 34 LYS CG C 25.2 0.2 1 277 34 34 LYS N N 125.2 0.2 1 278 35 35 TYR H H 7.63 0.02 1 279 35 35 TYR HA H 4.69 0.02 1 280 35 35 TYR HB2 H 3.41 0.02 1 281 35 35 TYR HB3 H 3.03 0.02 1 282 35 35 TYR HD1 H 6.89 0.02 1 283 35 35 TYR HE1 H 6.86 0.02 1 284 35 35 TYR C C 174.3 0.2 1 285 35 35 TYR CA C 55.3 0.2 1 286 35 35 TYR CB C 38.2 0.2 1 287 35 35 TYR N N 119.8 0.2 1 288 36 36 VAL H H 8.90 0.02 1 289 36 36 VAL HA H 3.76 0.02 1 290 36 36 VAL HB H 2.24 0.02 1 291 36 36 VAL HG1 H 0.86 0.02 2 292 36 36 VAL HG2 H 1.04 0.02 2 293 36 36 VAL C C 175.9 0.2 1 294 36 36 VAL CA C 64.8 0.2 1 295 36 36 VAL CB C 32.1 0.2 1 296 36 36 VAL CG1 C 22.5 0.2 1 297 36 36 VAL CG2 C 22.2 0.2 1 298 36 36 VAL N N 120.5 0.2 1 299 37 37 TRP H H 9.09 0.02 1 300 37 37 TRP HA H 4.89 0.02 1 301 37 37 TRP HB2 H 2.82 0.02 1 302 37 37 TRP HB3 H 2.61 0.02 1 303 37 37 TRP HD1 H 6.62 0.02 1 304 37 37 TRP HE1 H 9.50 0.02 1 305 37 37 TRP C C 177.1 0.2 1 306 37 37 TRP CA C 57.7 0.2 1 307 37 37 TRP CB C 28.9 0.2 1 308 37 37 TRP N N 131.8 0.2 1 309 38 38 ALA H H 8.05 0.02 1 310 38 38 ALA HA H 4.73 0.02 1 311 38 38 ALA HB H 1.44 0.02 1 312 38 38 ALA C C 174.8 0.2 1 313 38 38 ALA CA C 52.5 0.2 1 314 38 38 ALA CB C 22.5 0.2 1 315 38 38 ALA N N 118.4 0.2 1 316 39 39 ALA H H 8.62 0.02 1 317 39 39 ALA HA H 5.32 0.02 1 318 39 39 ALA HB H 1.47 0.02 1 319 39 39 ALA C C 176.6 0.2 1 320 39 39 ALA CA C 51.8 0.2 1 321 39 39 ALA CB C 23.0 0.2 1 322 39 39 ALA N N 121.3 0.2 1 323 40 40 THR H H 8.37 0.02 1 324 40 40 THR HA H 4.20 0.02 1 325 40 40 THR HB H 3.94 0.02 1 326 40 40 THR HG2 H 1.45 0.02 1 327 40 40 THR C C 174.4 0.2 1 328 40 40 THR CA C 63.6 0.2 1 329 40 40 THR CB C 70.9 0.2 1 330 40 40 THR CG2 C 21.6 0.2 1 331 40 40 THR N N 117.9 0.2 1 332 41 41 ALA H H 8.95 0.02 1 333 41 41 ALA HA H 4.23 0.02 1 334 41 41 ALA HB H 1.43 0.02 1 335 41 41 ALA C C 179.5 0.2 1 336 41 41 ALA CA C 53.4 0.2 1 337 41 41 ALA CB C 18.4 0.2 1 338 41 41 ALA N N 131.4 0.2 1 339 42 42 GLY H H 8.50 0.02 1 340 42 42 GLY HA2 H 4.06 0.02 1 341 42 42 GLY HA3 H 3.77 0.02 1 342 42 42 GLY C C 174.4 0.2 1 343 42 42 GLY CA C 46.0 0.2 1 344 42 42 GLY N N 109.4 0.2 1 345 43 43 GLY H H 7.15 0.02 1 346 43 43 GLY HA2 H 4.25 0.02 1 347 43 43 GLY HA3 H 3.50 0.02 1 348 43 43 GLY C C 173.9 0.2 1 349 43 43 GLY CA C 44.0 0.2 1 350 43 43 GLY N N 107.7 0.2 1 351 44 44 VAL H H 10.93 0.02 1 352 44 44 VAL HA H 3.86 0.02 1 353 44 44 VAL HB H 1.74 0.02 1 354 44 44 VAL HG1 H 0.67 0.02 2 355 44 44 VAL HG2 H 0.65 0.02 2 356 44 44 VAL C C 179.4 0.2 1 357 44 44 VAL CA C 64.6 0.2 1 358 44 44 VAL CB C 32.3 0.2 1 359 44 44 VAL CG1 C 21.6 0.2 1 360 44 44 VAL CG2 C 21.4 0.2 1 361 44 44 VAL N N 123.6 0.2 1 362 45 45 PHE H H 9.81 0.02 1 363 45 45 PHE HA H 4.16 0.02 1 364 45 45 PHE HB2 H 3.05 0.02 1 365 45 45 PHE HB3 H 2.60 0.02 1 366 45 45 PHE HD1 H 6.59 0.02 1 367 45 45 PHE C C 178.2 0.2 1 368 45 45 PHE CA C 55.9 0.2 1 369 45 45 PHE CB C 36.9 0.2 1 370 45 45 PHE N N 120.8 0.2 1 371 46 46 GLN H H 8.68 0.02 1 372 46 46 GLN HA H 3.85 0.02 1 373 46 46 GLN HB2 H 2.07 0.02 1 374 46 46 GLN HB3 H 1.98 0.02 1 375 46 46 GLN HG2 H 2.52 0.02 1 376 46 46 GLN HG3 H 2.31 0.02 1 377 46 46 GLN C C 176.7 0.2 1 378 46 46 GLN CA C 57.9 0.2 1 379 46 46 GLN CB C 27.6 0.2 1 380 46 46 GLN CG C 32.7 0.2 1 381 46 46 GLN N N 115.3 0.2 1 382 47 47 SER H H 7.79 0.02 1 383 47 47 SER HA H 4.54 0.02 1 384 47 47 SER HB2 H 4.04 0.02 1 385 47 47 SER HB3 H 3.91 0.02 1 386 47 47 SER C C 173.7 0.2 1 387 47 47 SER CA C 58.0 0.2 1 388 47 47 SER CB C 63.6 0.2 1 389 47 47 SER N N 114.8 0.2 1 390 48 48 ILE H H 7.34 0.02 1 391 48 48 ILE HA H 4.22 0.02 1 392 48 48 ILE HB H 1.34 0.02 1 393 48 48 ILE HD1 H -0.15 0.02 1 394 48 48 ILE HG12 H 1.71 0.02 1 395 48 48 ILE HG13 H 0.65 0.02 1 396 48 48 ILE HG2 H 0.69 0.02 1 397 48 48 ILE C C 176.1 0.2 1 398 48 48 ILE CA C 63.0 0.2 1 399 48 48 ILE CB C 38.2 0.2 1 400 48 48 ILE CD1 C 12.7 0.2 1 401 48 48 ILE CG1 C 30.2 0.2 1 402 48 48 ILE CG2 C 17.7 0.2 1 403 48 48 ILE N N 124.4 0.2 1 404 49 49 THR H H 8.35 0.02 1 405 49 49 THR HA H 4.98 0.02 1 406 49 49 THR HB H 4.73 0.02 1 407 49 49 THR HG2 H 1.29 0.02 1 408 49 49 THR C C 174.1 0.2 1 409 49 49 THR CA C 58.8 0.2 1 410 49 49 THR CB C 69.5 0.2 1 411 49 49 THR CG2 C 22.2 0.2 1 412 49 49 THR N N 119.7 0.2 1 413 50 50 PRO HA H 4.15 0.02 1 414 50 50 PRO HB2 H 2.40 0.02 1 415 50 50 PRO HB3 H 2.08 0.02 1 416 50 50 PRO HD2 H 4.04 0.02 1 417 50 50 PRO HD3 H 3.99 0.02 1 418 50 50 PRO HG2 H 2.35 0.02 1 419 50 50 PRO HG3 H 2.26 0.02 1 420 50 50 PRO CA C 65.9 0.2 1 421 50 50 PRO CB C 32.1 0.2 1 422 50 50 PRO CD C 50.6 0.2 1 423 50 50 PRO CG C 28.1 0.2 1 424 51 51 ILE H H 7.17 0.02 1 425 51 51 ILE HA H 3.98 0.02 1 426 51 51 ILE HB H 1.73 0.02 1 427 51 51 ILE HD1 H 0.90 0.02 1 428 51 51 ILE HG12 H 1.60 0.02 1 429 51 51 ILE HG13 H 1.27 0.02 1 430 51 51 ILE HG2 H 0.93 0.02 1 431 51 51 ILE C C 178.9 0.2 1 432 51 51 ILE CA C 63.9 0.2 1 433 51 51 ILE CB C 38.2 0.2 1 434 51 51 ILE CD1 C 12.8 0.2 1 435 51 51 ILE CG1 C 28.8 0.2 1 436 51 51 ILE CG2 C 17.6 0.2 1 437 51 51 ILE N N 114.6 0.2 1 438 52 52 GLU H H 7.63 0.02 1 439 52 52 GLU HA H 4.07 0.02 1 440 52 52 GLU HB2 H 2.64 0.02 1 441 52 52 GLU HB3 H 1.92 0.02 1 442 52 52 GLU HG2 H 2.25 0.02 1 443 52 52 GLU HG3 H 2.25 0.02 1 444 52 52 GLU C C 180.8 0.2 1 445 52 52 GLU CA C 58.9 0.2 1 446 52 52 GLU CB C 29.9 0.2 1 447 52 52 GLU CG C 37.2 0.2 1 448 52 52 GLU N N 122.3 0.2 1 449 53 53 ILE H H 8.17 0.02 1 450 53 53 ILE HA H 3.29 0.02 1 451 53 53 ILE HB H 1.95 0.02 1 452 53 53 ILE HD1 H 0.61 0.02 1 453 53 53 ILE HG12 H 1.72 0.02 1 454 53 53 ILE HG13 H 0.42 0.02 1 455 53 53 ILE HG2 H 0.92 0.02 1 456 53 53 ILE C C 177.4 0.2 1 457 53 53 ILE CA C 66.3 0.2 1 458 53 53 ILE CB C 37.5 0.2 1 459 53 53 ILE CD1 C 13.4 0.2 1 460 53 53 ILE CG1 C 29.4 0.2 1 461 53 53 ILE CG2 C 17.4 0.2 1 462 53 53 ILE N N 121.5 0.2 1 463 54 54 ASP H H 8.29 0.02 1 464 54 54 ASP HA H 4.39 0.02 1 465 54 54 ASP HB2 H 2.86 0.02 1 466 54 54 ASP HB3 H 2.61 0.02 1 467 54 54 ASP C C 179.1 0.2 1 468 54 54 ASP CA C 57.4 0.2 1 469 54 54 ASP CB C 40.0 0.2 1 470 54 54 ASP N N 118.9 0.2 1 471 55 55 MET H H 7.63 0.02 1 472 55 55 MET HA H 4.38 0.02 1 473 55 55 MET HB2 H 2.36 0.02 1 474 55 55 MET HB3 H 2.19 0.02 1 475 55 55 MET HG2 H 2.71 0.02 1 476 55 55 MET HG3 H 2.81 0.02 1 477 55 55 MET C C 178.5 0.2 1 478 55 55 MET CA C 57.6 0.2 1 479 55 55 MET CB C 31.3 0.2 1 480 55 55 MET CG C 32.0 0.2 1 481 55 55 MET N N 117.6 0.2 1 482 56 56 ILE H H 7.60 0.02 1 483 56 56 ILE HA H 3.69 0.02 1 484 56 56 ILE HB H 2.14 0.02 1 485 56 56 ILE HD1 H 0.72 0.02 1 486 56 56 ILE HG12 H 1.48 0.02 1 487 56 56 ILE HG13 H 1.32 0.02 1 488 56 56 ILE HG2 H 0.72 0.02 1 489 56 56 ILE C C 178.0 0.2 1 490 56 56 ILE CA C 64.1 0.2 1 491 56 56 ILE CB C 36.9 0.2 1 492 56 56 ILE CD1 C 12.2 0.2 1 493 56 56 ILE CG1 C 29.1 0.2 1 494 56 56 ILE CG2 C 17.6 0.2 1 495 56 56 ILE N N 118.8 0.2 1 496 57 57 VAL H H 7.94 0.02 1 497 57 57 VAL HA H 4.45 0.02 1 498 57 57 VAL HB H 2.44 0.02 1 499 57 57 VAL HG1 H 0.44 0.02 2 500 57 57 VAL HG2 H 1.08 0.02 2 501 57 57 VAL C C 177.4 0.2 1 502 57 57 VAL CA C 61.2 0.2 1 503 57 57 VAL CB C 31.9 0.2 1 504 57 57 VAL CG1 C 22.3 0.2 1 505 57 57 VAL CG2 C 18.2 0.2 1 506 57 57 VAL N N 108.3 0.2 1 507 58 58 GLY H H 7.63 0.02 1 508 58 58 GLY HA2 H 4.14 0.02 1 509 58 58 GLY HA3 H 3.75 0.02 1 510 58 58 GLY C C 172.6 0.2 1 511 58 58 GLY CA C 46.0 0.2 1 512 58 58 GLY N N 112.9 0.2 1 513 59 59 LYS H H 8.15 0.02 1 514 59 59 LYS HA H 3.93 0.02 1 515 59 59 LYS HB2 H 1.72 0.02 1 516 59 59 LYS HD2 H 1.58 0.02 1 517 59 59 LYS HE2 H 2.90 0.02 1 518 59 59 LYS HG2 H 1.40 0.02 1 519 59 59 LYS C C 177.6 0.2 1 520 59 59 LYS CA C 57.7 0.2 1 521 59 59 LYS CB C 32.6 0.2 1 522 59 59 LYS CD C 28.8 0.2 1 523 59 59 LYS CE C 41.9 0.2 1 524 59 59 LYS CG C 24.6 0.2 1 525 59 59 LYS N N 116.6 0.2 1 526 60 60 ASP H H 7.78 0.02 1 527 60 60 ASP HA H 4.52 0.02 1 528 60 60 ASP HB2 H 2.77 0.02 1 529 60 60 ASP HB3 H 2.55 0.02 1 530 60 60 ASP C C 176.0 0.2 1 531 60 60 ASP CA C 53.6 0.2 1 532 60 60 ASP CB C 40.0 0.2 1 533 60 60 ASP N N 117.5 0.2 1 534 61 61 ARG H H 8.67 0.02 1 535 61 61 ARG HA H 4.00 0.02 1 536 61 61 ARG HB2 H 2.45 0.02 1 537 61 61 ARG HB3 H 1.69 0.02 1 538 61 61 ARG HD2 H 3.17 0.02 1 539 61 61 ARG HG2 H 1.59 0.02 1 540 61 61 ARG HG3 H 1.74 0.02 1 541 61 61 ARG C C 175.5 0.2 1 542 61 61 ARG CA C 53.1 0.2 1 543 61 61 ARG CB C 27.1 0.2 1 544 61 61 ARG CD C 41.9 0.2 1 545 61 61 ARG CG C 24.5 0.2 1 546 61 61 ARG N N 126.0 0.2 1 547 62 62 GLU H H 8.21 0.02 1 548 62 62 GLU HA H 4.56 0.02 1 549 62 62 GLU HB2 H 2.06 0.02 1 550 62 62 GLU HB3 H 1.92 0.02 1 551 62 62 GLU HG2 H 2.24 0.02 1 552 62 62 GLU C C 179.2 0.2 1 553 62 62 GLU CA C 57.4 0.2 1 554 62 62 GLU CB C 32.1 0.2 1 555 62 62 GLU CG C 36.3 0.2 1 556 62 62 GLU N N 117.3 0.2 1 557 63 63 GLY H H 9.07 0.02 1 558 63 63 GLY HA2 H 3.90 0.02 1 559 63 63 GLY HA3 H 3.74 0.02 1 560 63 63 GLY C C 176.8 0.2 1 561 63 63 GLY CA C 47.7 0.2 1 562 63 63 GLY N N 112.8 0.2 1 563 64 64 PHE H H 7.95 0.02 1 564 64 64 PHE HA H 4.56 0.02 1 565 64 64 PHE HB2 H 2.92 0.02 1 566 64 64 PHE HB3 H 2.81 0.02 1 567 64 64 PHE HD1 H 6.69 0.02 1 568 64 64 PHE C C 179.3 0.2 1 569 64 64 PHE CA C 56.9 0.2 1 570 64 64 PHE CB C 37.3 0.2 1 571 64 64 PHE N N 116.2 0.2 1 572 65 65 PHE H H 8.14 0.02 1 573 65 65 PHE HA H 4.54 0.02 1 574 65 65 PHE HB2 H 3.37 0.02 1 575 65 65 PHE HB3 H 3.26 0.02 1 576 65 65 PHE HD1 H 7.10 0.02 1 577 65 65 PHE C C 176.4 0.2 1 578 65 65 PHE CA C 62.2 0.2 1 579 65 65 PHE CB C 37.5 0.2 1 580 65 65 PHE N N 121.2 0.2 1 581 66 66 THR H H 7.73 0.02 1 582 66 66 THR HA H 4.34 0.02 1 583 66 66 THR HB H 4.18 0.02 1 584 66 66 THR HG2 H 1.25 0.02 1 585 66 66 THR C C 175.7 0.2 1 586 66 66 THR CA C 64.2 0.2 1 587 66 66 THR CB C 69.3 0.2 1 588 66 66 THR CG2 C 22.1 0.2 1 589 66 66 THR N N 113.1 0.2 1 590 67 67 ASN H H 8.53 0.02 1 591 67 67 ASN HA H 4.81 0.02 1 592 67 67 ASN HB2 H 2.84 0.02 1 593 67 67 ASN HB3 H 2.66 0.02 1 594 67 67 ASN C C 176.4 0.2 1 595 67 67 ASN CA C 54.1 0.2 1 596 67 67 ASN CB C 40.0 0.2 1 597 67 67 ASN N N 117.2 0.2 1 598 68 68 GLY H H 7.39 0.02 1 599 68 68 GLY HA2 H 4.44 0.02 1 600 68 68 GLY HA3 H 4.01 0.02 1 601 68 68 GLY C C 170.8 0.2 1 602 68 68 GLY CA C 44.9 0.2 1 603 68 68 GLY N N 107.5 0.2 1 604 69 69 LEU H H 7.90 0.02 1 605 69 69 LEU HA H 4.74 0.02 1 606 69 69 LEU HB2 H 1.77 0.02 1 607 69 69 LEU HD1 H 0.37 0.02 2 608 69 69 LEU HD2 H 0.44 0.02 2 609 69 69 LEU HG H 1.15 0.02 1 610 69 69 LEU C C 175.6 0.2 1 611 69 69 LEU CA C 54.2 0.2 1 612 69 69 LEU CB C 42.9 0.2 1 613 69 69 LEU CD1 C 26.4 0.2 1 614 69 69 LEU CD2 C 24.3 0.2 1 615 69 69 LEU CG C 26.2 0.2 1 616 69 69 LEU N N 113.9 0.2 1 617 70 70 THR H H 8.05 0.02 1 618 70 70 THR HA H 5.27 0.02 1 619 70 70 THR HB H 3.51 0.02 1 620 70 70 THR HG2 H 0.92 0.02 1 621 70 70 THR C C 173.1 0.2 1 622 70 70 THR CA C 59.7 0.2 1 623 70 70 THR CB C 71.8 0.2 1 624 70 70 THR CG2 C 20.9 0.2 1 625 70 70 THR N N 110.1 0.2 1 626 71 71 LEU H H 7.95 0.02 1 627 71 71 LEU HA H 4.24 0.02 1 628 71 71 LEU HB2 H 1.50 0.02 1 629 71 71 LEU HB3 H 0.76 0.02 1 630 71 71 LEU HD1 H 0.76 0.02 2 631 71 71 LEU HG H 0.87 0.02 1 632 71 71 LEU C C 176.5 0.2 1 633 71 71 LEU CA C 53.2 0.2 1 634 71 71 LEU CB C 44.6 0.2 1 635 71 71 LEU CD1 C 23.4 0.2 1 636 71 71 LEU CG C 26.4 0.2 1 637 71 71 LEU N N 119.1 0.2 1 638 72 72 GLY H H 10.69 0.02 1 639 72 72 GLY HA2 H 3.72 0.02 1 640 72 72 GLY HA3 H 3.36 0.02 1 641 72 72 GLY C C 176.7 0.2 1 642 72 72 GLY CA C 47.7 0.2 1 643 72 72 GLY N N 118.5 0.2 1 644 73 73 ALA H H 9.40 0.02 1 645 73 73 ALA HA H 3.52 0.02 1 646 73 73 ALA HB H 1.58 0.02 1 647 73 73 ALA C C 175.8 0.2 1 648 73 73 ALA CA C 54.2 0.2 1 649 73 73 ALA CB C 18.1 0.2 1 650 73 73 ALA N N 113.3 0.2 1 651 74 74 LYS H H 8.07 0.02 1 652 74 74 LYS HA H 4.44 0.02 1 653 74 74 LYS HB2 H 2.08 0.02 1 654 74 74 LYS HB3 H 1.77 0.02 1 655 74 74 LYS HD2 H 1.70 0.02 1 656 74 74 LYS HE2 H 3.07 0.02 1 657 74 74 LYS HG2 H 1.47 0.02 1 658 74 74 LYS HG3 H 1.40 0.02 1 659 74 74 LYS C C 176.8 0.2 1 660 74 74 LYS CA C 55.1 0.2 1 661 74 74 LYS CB C 31.8 0.2 1 662 74 74 LYS CD C 28.8 0.2 1 663 74 74 LYS CE C 41.8 0.2 1 664 74 74 LYS CG C 24.2 0.2 1 665 74 74 LYS N N 123.8 0.2 1 666 75 75 LYS H H 8.95 0.02 1 667 75 75 LYS HA H 4.18 0.02 1 668 75 75 LYS HB2 H 1.92 0.02 1 669 75 75 LYS HB3 H 1.81 0.02 1 670 75 75 LYS HD2 H 1.67 0.02 1 671 75 75 LYS HD3 H 1.67 0.02 1 672 75 75 LYS HE2 H 2.98 0.02 1 673 75 75 LYS HG2 H 1.64 0.02 1 674 75 75 LYS HG3 H 1.40 0.02 1 675 75 75 LYS C C 176.6 0.2 1 676 75 75 LYS CA C 58.6 0.2 1 677 75 75 LYS CB C 32.6 0.2 1 678 75 75 LYS CD C 29.1 0.2 1 679 75 75 LYS CE C 41.8 0.2 1 680 75 75 LYS CG C 25.4 0.2 1 681 75 75 LYS N N 127.4 0.2 1 682 76 76 CYS H H 8.84 0.02 1 683 76 76 CYS HA H 5.13 0.02 1 684 76 76 CYS HB2 H 2.57 0.02 1 685 76 76 CYS C C 173.4 0.2 1 686 76 76 CYS CA C 58.4 0.2 1 687 76 76 CYS CB C 32.9 0.2 1 688 76 76 CYS N N 119.1 0.2 1 689 77 77 SER H H 9.64 0.02 1 690 77 77 SER HA H 4.96 0.02 1 691 77 77 SER HB2 H 3.76 0.02 1 692 77 77 SER HB3 H 3.62 0.02 1 693 77 77 SER C C 173.1 0.2 1 694 77 77 SER CA C 56.7 0.2 1 695 77 77 SER CB C 65.3 0.2 1 696 77 77 SER N N 117.4 0.2 1 697 78 78 VAL H H 9.08 0.02 1 698 78 78 VAL HA H 3.81 0.02 1 699 78 78 VAL HB H 1.22 0.02 1 700 78 78 VAL HG1 H 0.21 0.02 2 701 78 78 VAL HG2 H 0.15 0.02 2 702 78 78 VAL C C 173.9 0.2 1 703 78 78 VAL CA C 63.1 0.2 1 704 78 78 VAL CB C 31.9 0.2 1 705 78 78 VAL CG1 C 21.4 0.2 1 706 78 78 VAL N N 123.4 0.2 1 707 79 79 ILE H H 8.85 0.02 1 708 79 79 ILE HA H 4.16 0.02 1 709 79 79 ILE HB H 1.65 0.02 1 710 79 79 ILE HD1 H 0.65 0.02 1 711 79 79 ILE HG12 H 1.30 0.02 1 712 79 79 ILE HG13 H 1.18 0.02 1 713 79 79 ILE HG2 H 0.93 0.02 1 714 79 79 ILE C C 176.7 0.2 1 715 79 79 ILE CA C 60.8 0.2 1 716 79 79 ILE CB C 37.6 0.2 1 717 79 79 ILE CD1 C 10.5 0.2 1 718 79 79 ILE CG1 C 27.3 0.2 1 719 79 79 ILE CG2 C 17.2 0.2 1 720 79 79 ILE N N 127.6 0.2 1 721 80 80 ARG H H 8.06 0.02 1 722 80 80 ARG HA H 4.60 0.02 1 723 80 80 ARG HB2 H 1.99 0.02 1 724 80 80 ARG HB3 H 1.84 0.02 1 725 80 80 ARG HD2 H 3.16 0.02 1 726 80 80 ARG HG2 H 1.64 0.02 1 727 80 80 ARG HG3 H 1.52 0.02 1 728 80 80 ARG C C 173.4 0.2 1 729 80 80 ARG CA C 56.4 0.2 1 730 80 80 ARG CB C 34.1 0.2 1 731 80 80 ARG CD C 43.2 0.2 1 732 80 80 ARG CG C 27.3 0.2 1 733 80 80 ARG N N 119.2 0.2 1 734 81 81 ASP H H 9.64 0.02 1 735 81 81 ASP HA H 5.13 0.02 1 736 81 81 ASP HB2 H 3.22 0.02 1 737 81 81 ASP HB3 H 2.45 0.02 1 738 81 81 ASP C C 173.9 0.2 1 739 81 81 ASP CA C 53.5 0.2 1 740 81 81 ASP CB C 43.4 0.2 1 741 81 81 ASP N N 124.6 0.2 1 742 82 82 SER H H 8.21 0.02 1 743 82 82 SER HA H 4.90 0.02 1 744 82 82 SER HB2 H 4.09 0.02 1 745 82 82 SER HB3 H 3.69 0.02 1 746 82 82 SER C C 177.6 0.2 1 747 82 82 SER CA C 56.1 0.2 1 748 82 82 SER CB C 64.2 0.2 1 749 82 82 SER N N 123.7 0.2 1 750 83 83 LEU H H 7.88 0.02 1 751 83 83 LEU HA H 3.08 0.02 1 752 83 83 LEU HB2 H 1.44 0.02 1 753 83 83 LEU HB3 H 1.29 0.02 1 754 83 83 LEU HD1 H 0.46 0.02 2 755 83 83 LEU HD2 H 0.27 0.02 2 756 83 83 LEU HG H 0.87 0.02 1 757 83 83 LEU C C 178.3 0.2 1 758 83 83 LEU CA C 58.3 0.2 1 759 83 83 LEU CB C 42.5 0.2 1 760 83 83 LEU CD1 C 26.5 0.2 1 761 83 83 LEU CD2 C 23.3 0.2 1 762 83 83 LEU CG C 26.7 0.2 1 763 83 83 LEU N N 124.6 0.2 1 764 84 84 TYR H H 9.15 0.02 1 765 84 84 TYR HA H 4.50 0.02 1 766 84 84 TYR HB2 H 3.47 0.02 1 767 84 84 TYR HB3 H 2.52 0.02 1 768 84 84 TYR HD1 H 7.01 0.02 1 769 84 84 TYR C C 175.0 0.2 1 770 84 84 TYR CA C 58.0 0.2 1 771 84 84 TYR CB C 36.7 0.2 1 772 84 84 TYR N N 114.0 0.2 1 773 85 85 VAL H H 7.27 0.02 1 774 85 85 VAL HA H 4.09 0.02 1 775 85 85 VAL HB H 2.26 0.02 1 776 85 85 VAL HG1 H 1.08 0.02 2 777 85 85 VAL HG2 H 1.03 0.02 2 778 85 85 VAL C C 175.6 0.2 1 779 85 85 VAL CA C 62.1 0.2 1 780 85 85 VAL CB C 31.9 0.2 1 781 85 85 VAL CG1 C 21.1 0.2 1 782 85 85 VAL CG2 C 20.4 0.2 1 783 85 85 VAL N N 123.2 0.2 1 784 86 86 ASP H H 8.83 0.02 1 785 86 86 ASP HA H 4.27 0.02 1 786 86 86 ASP HB2 H 2.60 0.02 1 787 86 86 ASP C C 177.0 0.2 1 788 86 86 ASP CA C 56.4 0.2 1 789 86 86 ASP CB C 40.5 0.2 1 790 86 86 ASP N N 130.0 0.2 1 791 87 87 GLY H H 8.86 0.02 1 792 87 87 GLY HA2 H 4.23 0.02 1 793 87 87 GLY HA3 H 3.78 0.02 1 794 87 87 GLY C C 172.9 0.2 1 795 87 87 GLY CA C 45.3 0.2 1 796 87 87 GLY N N 112.1 0.2 1 797 88 88 ASP H H 8.21 0.02 1 798 88 88 ASP HA H 4.84 0.02 1 799 88 88 ASP HB2 H 2.82 0.02 1 800 88 88 ASP HB3 H 2.48 0.02 1 801 88 88 ASP C C 173.9 0.2 1 802 88 88 ASP CA C 55.9 0.2 1 803 88 88 ASP CB C 42.5 0.2 1 804 88 88 ASP N N 120.6 0.2 1 805 89 89 CYS H H 8.10 0.02 1 806 89 89 CYS HA H 4.39 0.02 1 807 89 89 CYS HB2 H 3.37 0.02 1 808 89 89 CYS HB3 H 3.26 0.02 1 809 89 89 CYS C C 174.0 0.2 1 810 89 89 CYS CA C 59.2 0.2 1 811 89 89 CYS CB C 25.5 0.2 1 812 89 89 CYS N N 107.3 0.2 1 813 90 90 THR H H 7.10 0.02 1 814 90 90 THR HA H 5.89 0.02 1 815 90 90 THR HB H 3.99 0.02 1 816 90 90 THR HG2 H 1.25 0.02 1 817 90 90 THR C C 174.3 0.2 1 818 90 90 THR CA C 59.7 0.2 1 819 90 90 THR CB C 74.6 0.2 1 820 90 90 THR CG2 C 20.1 0.2 1 821 90 90 THR N N 107.8 0.2 1 822 91 91 MET H H 8.45 0.02 1 823 91 91 MET HA H 4.70 0.02 1 824 91 91 MET HB2 H 2.02 0.02 1 825 91 91 MET HB3 H 1.71 0.02 1 826 91 91 MET HG2 H 2.58 0.02 1 827 91 91 MET HG3 H 2.31 0.02 1 828 91 91 MET C C 173.4 0.2 1 829 91 91 MET CA C 55.5 0.2 1 830 91 91 MET CB C 38.8 0.2 1 831 91 91 MET CG C 32.3 0.2 1 832 91 91 MET N N 113.8 0.2 1 833 92 92 ASP H H 8.78 0.02 1 834 92 92 ASP HA H 5.47 0.02 1 835 92 92 ASP HB2 H 2.85 0.02 1 836 92 92 ASP HB3 H 2.45 0.02 1 837 92 92 ASP C C 174.3 0.2 1 838 92 92 ASP CA C 54.6 0.2 1 839 92 92 ASP CB C 43.7 0.2 1 840 92 92 ASP N N 121.1 0.2 1 841 93 93 ILE H H 9.57 0.02 1 842 93 93 ILE HA H 4.78 0.02 1 843 93 93 ILE HB H 1.40 0.02 1 844 93 93 ILE HD1 H 0.64 0.02 1 845 93 93 ILE HG12 H 0.82 0.02 1 846 93 93 ILE HG13 H 1.40 0.02 1 847 93 93 ILE HG2 H 0.82 0.02 1 848 93 93 ILE C C 172.6 0.2 1 849 93 93 ILE CA C 59.5 0.2 1 850 93 93 ILE CB C 44.0 0.2 1 851 93 93 ILE CD1 C 14.8 0.2 1 852 93 93 ILE CG1 C 29.4 0.2 1 853 93 93 ILE CG2 C 18.0 0.2 1 854 93 93 ILE N N 127.5 0.2 1 855 94 94 ARG H H 9.00 0.02 1 856 94 94 ARG HA H 5.44 0.02 1 857 94 94 ARG HB2 H 1.80 0.02 1 858 94 94 ARG HB3 H 1.69 0.02 1 859 94 94 ARG HD2 H 3.18 0.02 1 860 94 94 ARG HD3 H 3.11 0.02 1 861 94 94 ARG HG2 H 2.00 0.02 1 862 94 94 ARG HG3 H 1.56 0.02 1 863 94 94 ARG C C 176.1 0.2 1 864 94 94 ARG CA C 55.3 0.2 1 865 94 94 ARG CB C 34.5 0.2 1 866 94 94 ARG CD C 43.7 0.2 1 867 94 94 ARG CG C 26.4 0.2 1 868 94 94 ARG N N 127.3 0.2 1 869 95 95 THR H H 9.29 0.02 1 870 95 95 THR HA H 4.78 0.02 1 871 95 95 THR HB H 4.53 0.02 1 872 95 95 THR HG2 H 1.39 0.02 1 873 95 95 THR C C 173.6 0.2 1 874 95 95 THR CA C 63.3 0.2 1 875 95 95 THR CB C 69.2 0.2 1 876 95 95 THR CG2 C 22.0 0.2 1 877 95 95 THR N N 117.6 0.2 1 878 96 96 LYS H H 8.35 0.02 1 879 96 96 LYS HA H 4.46 0.02 1 880 96 96 LYS HB2 H 1.69 0.02 1 881 96 96 LYS HB3 H 1.46 0.02 1 882 96 96 LYS HD2 H 1.55 0.02 1 883 96 96 LYS HE2 H 2.92 0.02 1 884 96 96 LYS HE3 H 2.85 0.02 1 885 96 96 LYS HG2 H 1.28 0.02 1 886 96 96 LYS C C 176.9 0.2 1 887 96 96 LYS CA C 55.5 0.2 1 888 96 96 LYS CB C 33.6 0.2 1 889 96 96 LYS CD C 29.6 0.2 1 890 96 96 LYS CE C 41.9 0.2 1 891 96 96 LYS CG C 25.7 0.2 1 892 96 96 LYS N N 119.5 0.2 1 893 97 97 SER H H 8.73 0.02 1 894 97 97 SER HA H 4.44 0.02 1 895 97 97 SER HB2 H 3.64 0.02 1 896 97 97 SER C C 174.9 0.2 1 897 97 97 SER CA C 57.4 0.2 1 898 97 97 SER CB C 63.7 0.2 1 899 97 97 SER N N 119.7 0.2 1 900 98 98 GLN H H 9.51 0.02 1 901 98 98 GLN HA H 4.51 0.02 1 902 98 98 GLN HB2 H 2.14 0.02 1 903 98 98 GLN HB3 H 2.05 0.02 1 904 98 98 GLN HG2 H 2.37 0.02 1 905 98 98 GLN C C 177.0 0.2 1 906 98 98 GLN CA C 56.0 0.2 1 907 98 98 GLN CB C 30.3 0.2 1 908 98 98 GLN CG C 33.9 0.2 1 909 98 98 GLN N N 127.2 0.2 1 910 99 99 GLY H H 9.31 0.02 1 911 99 99 GLY HA2 H 4.16 0.02 1 912 99 99 GLY HA3 H 3.75 0.02 1 913 99 99 GLY CA C 46.3 0.2 1 914 99 99 GLY N N 110.7 0.2 1 915 100 100 GLY H H 8.32 0.02 1 916 100 100 GLY HA2 H 4.10 0.02 1 917 100 100 GLY HA3 H 3.68 0.02 1 918 100 100 GLY C C 174.1 0.2 1 919 100 100 GLY CA C 43.7 0.2 1 920 100 100 GLY N N 114.8 0.2 1 921 101 101 GLU H H 8.62 0.02 1 922 101 101 GLU HA H 4.59 0.02 1 923 101 101 GLU HB2 H 2.19 0.02 1 924 101 101 GLU HB3 H 2.12 0.02 1 925 101 101 GLU HG2 H 2.51 0.02 1 926 101 101 GLU HG3 H 2.43 0.02 1 927 101 101 GLU C C 173.9 0.2 1 928 101 101 GLU CA C 55.0 0.2 1 929 101 101 GLU CB C 27.3 0.2 1 930 101 101 GLU CG C 35.5 0.2 1 931 101 101 GLU N N 122.8 0.2 1 932 102 102 PRO HA H 4.32 0.02 1 933 102 102 PRO HB2 H 2.05 0.02 1 934 102 102 PRO HB3 H 1.34 0.02 1 935 102 102 PRO HD2 H 3.84 0.02 1 936 102 102 PRO HD3 H 3.59 0.02 1 937 102 102 PRO HG2 H 1.90 0.02 1 938 102 102 PRO CA C 63.0 0.2 1 939 102 102 PRO CB C 32.1 0.2 1 940 102 102 PRO CD C 50.6 0.2 1 941 102 102 PRO CG C 27.5 0.2 1 942 103 103 THR H H 7.77 0.02 1 943 103 103 THR HA H 3.84 0.02 1 944 103 103 THR HB H 4.09 0.02 1 945 103 103 THR HG2 H 1.07 0.02 1 946 103 103 THR C C 172.3 0.2 1 947 103 103 THR CA C 60.2 0.2 1 948 103 103 THR CB C 70.9 0.2 1 949 103 103 THR CG2 C 21.9 0.2 1 950 103 103 THR N N 111.2 0.2 1 951 104 104 TYR H H 8.37 0.02 1 952 104 104 TYR HA H 4.70 0.02 1 953 104 104 TYR HB2 H 3.21 0.02 1 954 104 104 TYR HB3 H 2.55 0.02 1 955 104 104 TYR HD1 H 7.01 0.02 1 956 104 104 TYR HE1 H 6.64 0.02 1 957 104 104 TYR C C 175.2 0.2 1 958 104 104 TYR CA C 56.2 0.2 1 959 104 104 TYR CB C 40.8 0.2 1 960 104 104 TYR N N 119.0 0.2 1 961 105 105 ASN H H 9.04 0.02 1 962 105 105 ASN HA H 5.31 0.02 1 963 105 105 ASN HB2 H 3.06 0.02 1 964 105 105 ASN HB3 H 2.48 0.02 1 965 105 105 ASN C C 173.6 0.2 1 966 105 105 ASN CA C 53.7 0.2 1 967 105 105 ASN CB C 40.0 0.2 1 968 105 105 ASN N N 120.9 0.2 1 969 106 106 VAL H H 9.20 0.02 1 970 106 106 VAL HA H 5.34 0.02 1 971 106 106 VAL HB H 1.64 0.02 1 972 106 106 VAL HG1 H 1.04 0.02 2 973 106 106 VAL HG2 H 0.99 0.02 2 974 106 106 VAL C C 177.5 0.2 1 975 106 106 VAL CA C 60.0 0.2 1 976 106 106 VAL CB C 36.2 0.2 1 977 106 106 VAL CG1 C 21.9 0.2 1 978 106 106 VAL CG2 C 20.4 0.2 1 979 106 106 VAL N N 123.3 0.2 1 980 107 107 ALA H H 8.96 0.02 1 981 107 107 ALA HA H 5.54 0.02 1 982 107 107 ALA HB H 1.32 0.02 1 983 107 107 ALA C C 174.9 0.2 1 984 107 107 ALA CA C 50.2 0.2 1 985 107 107 ALA CB C 22.5 0.2 1 986 107 107 ALA N N 127.7 0.2 1 987 108 108 VAL H H 8.21 0.02 1 988 108 108 VAL HA H 5.01 0.02 1 989 108 108 VAL HB H 1.28 0.02 1 990 108 108 VAL HG1 H 0.22 0.02 2 991 108 108 VAL HG2 H -0.02 0.02 2 992 108 108 VAL C C 175.2 0.2 1 993 108 108 VAL CA C 58.3 0.2 1 994 108 108 VAL CB C 35.0 0.2 1 995 108 108 VAL CG1 C 22.3 0.2 1 996 108 108 VAL CG2 C 21.1 0.2 1 997 108 108 VAL N N 119.1 0.2 1 998 109 109 GLY H H 9.04 0.02 1 999 109 109 GLY HA2 H 5.01 0.02 1 1000 109 109 GLY HA3 H 2.98 0.02 1 1001 109 109 GLY C C 171.6 0.2 1 1002 109 109 GLY CA C 43.1 0.2 1 1003 109 109 GLY N N 110.9 0.2 1 1004 110 110 ARG H H 8.75 0.02 1 1005 110 110 ARG HA H 4.51 0.02 1 1006 110 110 ARG HB2 H 1.68 0.02 1 1007 110 110 ARG HB3 H 0.74 0.02 1 1008 110 110 ARG C C 174.2 0.2 1 1009 110 110 ARG CA C 55.9 0.2 1 1010 110 110 ARG CB C 33.4 0.2 1 1011 110 110 ARG N N 125.3 0.2 1 1012 111 111 ALA H H 8.94 0.02 1 1013 111 111 ALA HA H 4.64 0.02 1 1014 111 111 ALA HB H 1.63 0.02 1 1015 111 111 ALA C C 175.5 0.2 1 1016 111 111 ALA CA C 50.8 0.2 1 1017 111 111 ALA CB C 18.5 0.2 1 1018 111 111 ALA N N 133.2 0.2 1 1019 112 112 GLY H H 11.06 0.02 1 1020 112 112 GLY HA2 H 3.88 0.02 1 1021 112 112 GLY HA3 H 3.81 0.02 1 1022 112 112 GLY C C 175.4 0.2 1 1023 112 112 GLY CA C 47.8 0.2 1 1024 112 112 GLY N N 118.6 0.2 1 1025 113 113 ARG H H 10.20 0.02 1 1026 113 113 ARG HA H 4.17 0.02 1 1027 113 113 ARG HB2 H 1.85 0.02 1 1028 113 113 ARG HB3 H 1.75 0.02 1 1029 113 113 ARG HD2 H 3.31 0.02 1 1030 113 113 ARG HD3 H 3.24 0.02 1 1031 113 113 ARG HG2 H 1.62 0.02 1 1032 113 113 ARG HG3 H 1.55 0.02 1 1033 113 113 ARG C C 176.4 0.2 1 1034 113 113 ARG CA C 55.7 0.2 1 1035 113 113 ARG CB C 33.1 0.2 1 1036 113 113 ARG CD C 44.0 0.2 1 1037 113 113 ARG CG C 27.0 0.2 1 1038 113 113 ARG N N 117.4 0.2 1 1039 114 114 VAL H H 7.01 0.02 1 1040 114 114 VAL HA H 4.87 0.02 1 1041 114 114 VAL HB H 1.33 0.02 1 1042 114 114 VAL HG1 H 0.41 0.02 2 1043 114 114 VAL HG2 H -0.34 0.02 2 1044 114 114 VAL C C 172.9 0.2 1 1045 114 114 VAL CA C 58.4 0.2 1 1046 114 114 VAL CB C 36.0 0.2 1 1047 114 114 VAL CG1 C 19.5 0.2 1 1048 114 114 VAL CG2 C 20.9 0.2 1 1049 114 114 VAL N N 112.9 0.2 1 1050 115 115 LEU H H 9.42 0.02 1 1051 115 115 LEU HA H 4.91 0.02 1 1052 115 115 LEU HB2 H 1.60 0.02 1 1053 115 115 LEU HB3 H 0.69 0.02 1 1054 115 115 LEU HD1 H 0.52 0.02 2 1055 115 115 LEU HD2 H -0.01 0.02 2 1056 115 115 LEU HG H 1.39 0.02 1 1057 115 115 LEU C C 175.4 0.2 1 1058 115 115 LEU CA C 52.3 0.2 1 1059 115 115 LEU CB C 45.4 0.2 1 1060 115 115 LEU CD1 C 25.7 0.2 1 1061 115 115 LEU CD2 C 22.5 0.2 1 1062 115 115 LEU CG C 26.2 0.2 1 1063 115 115 LEU N N 120.2 0.2 1 1064 116 116 VAL H H 9.08 0.02 1 1065 116 116 VAL HA H 4.50 0.02 1 1066 116 116 VAL HB H 1.75 0.02 1 1067 116 116 VAL HG1 H 0.85 0.02 2 1068 116 116 VAL HG2 H 0.67 0.02 2 1069 116 116 VAL C C 174.0 0.2 1 1070 116 116 VAL CA C 60.3 0.2 1 1071 116 116 VAL CB C 33.9 0.2 1 1072 116 116 VAL CG1 C 21.4 0.2 1 1073 116 116 VAL CG2 C 20.9 0.2 1 1074 116 116 VAL N N 120.9 0.2 1 1075 117 117 PHE H H 9.03 0.02 1 1076 117 117 PHE HA H 5.09 0.02 1 1077 117 117 PHE HB2 H 1.90 0.02 1 1078 117 117 PHE HB3 H 1.65 0.02 1 1079 117 117 PHE HD1 H 6.41 0.02 1 1080 117 117 PHE C C 175.9 0.2 1 1081 117 117 PHE CA C 56.4 0.2 1 1082 117 117 PHE CB C 42.2 0.2 1 1083 117 117 PHE N N 124.0 0.2 1 1084 118 118 VAL H H 8.85 0.02 1 1085 118 118 VAL HA H 5.21 0.02 1 1086 118 118 VAL HB H 2.57 0.02 1 1087 118 118 VAL HG1 H 1.05 0.02 2 1088 118 118 VAL HG2 H 1.03 0.02 2 1089 118 118 VAL C C 173.7 0.2 1 1090 118 118 VAL CA C 60.2 0.2 1 1091 118 118 VAL CB C 35.7 0.2 1 1092 118 118 VAL CG1 C 24.9 0.2 1 1093 118 118 VAL CG2 C 20.9 0.2 1 1094 118 118 VAL N N 111.8 0.2 1 1095 119 119 MET H H 8.75 0.02 1 1096 119 119 MET HA H 5.53 0.02 1 1097 119 119 MET HB2 H 2.04 0.02 1 1098 119 119 MET HB3 H 1.58 0.02 1 1099 119 119 MET HG2 H 2.52 0.02 1 1100 119 119 MET HG3 H 2.30 0.02 1 1101 119 119 MET C C 176.8 0.2 1 1102 119 119 MET CA C 53.7 0.2 1 1103 119 119 MET CB C 37.4 0.2 1 1104 119 119 MET CG C 30.2 0.2 1 1105 119 119 MET N N 122.9 0.2 1 1106 120 120 GLY H H 9.78 0.02 1 1107 120 120 GLY HA2 H 4.62 0.02 1 1108 120 120 GLY HA3 H 3.96 0.02 1 1109 120 120 GLY C C 173.7 0.2 1 1110 120 120 GLY CA C 46.5 0.2 1 1111 120 120 GLY N N 117.1 0.2 1 1112 121 121 LYS H H 7.66 0.02 1 1113 121 121 LYS HA H 4.34 0.02 1 1114 121 121 LYS HB2 H 2.11 0.02 1 1115 121 121 LYS HB3 H 1.66 0.02 1 1116 121 121 LYS HD2 H 1.70 0.02 1 1117 121 121 LYS HE2 H 2.89 0.02 1 1118 121 121 LYS HE3 H 2.70 0.02 1 1119 121 121 LYS HG2 H 1.33 0.02 1 1120 121 121 LYS HG3 H 1.12 0.02 1 1121 121 121 LYS C C 176.6 0.2 1 1122 121 121 LYS CA C 57.4 0.2 1 1123 121 121 LYS CB C 34.4 0.2 1 1124 121 121 LYS CD C 29.6 0.2 1 1125 121 121 LYS CE C 42.4 0.2 1 1126 121 121 LYS CG C 27.5 0.2 1 1127 121 121 LYS N N 118.1 0.2 1 1128 122 122 GLU H H 9.22 0.02 1 1129 122 122 GLU HA H 4.01 0.02 1 1130 122 122 GLU HB2 H 2.09 0.02 1 1131 122 122 GLU HB3 H 2.02 0.02 1 1132 122 122 GLU HG2 H 2.22 0.02 1 1133 122 122 GLU C C 177.5 0.2 1 1134 122 122 GLU CA C 58.8 0.2 1 1135 122 122 GLU CB C 29.4 0.2 1 1136 122 122 GLU CG C 35.8 0.2 1 1137 122 122 GLU N N 123.3 0.2 1 1138 123 123 GLY H H 9.15 0.02 1 1139 123 123 GLY HA2 H 4.19 0.02 1 1140 123 123 GLY HA3 H 3.67 0.02 1 1141 123 123 GLY C C 174.4 0.2 1 1142 123 123 GLY CA C 45.5 0.2 1 1143 123 123 GLY N N 114.3 0.2 1 1144 124 124 VAL H H 7.64 0.02 1 1145 124 124 VAL HB H 1.21 0.02 1 1146 124 124 VAL HG1 H 0.21 0.02 2 1147 124 124 VAL HG2 H 0.15 0.02 2 1148 124 124 VAL C C 176.7 0.2 1 1149 124 124 VAL CA C 63.5 0.2 1 1150 124 124 VAL CB C 31.6 0.2 1 1151 124 124 VAL CG1 C 21.6 0.2 1 1152 124 124 VAL CG2 C 21.4 0.2 1 1153 124 124 VAL N N 121.3 0.2 1 1154 125 125 HIS H H 8.88 0.02 1 1155 125 125 HIS HA H 4.29 0.02 1 1156 125 125 HIS HB2 H 3.31 0.02 1 1157 125 125 HIS HB3 H 3.22 0.02 1 1158 125 125 HIS C C 176.3 0.2 1 1159 125 125 HIS CA C 58.2 0.2 1 1160 125 125 HIS CB C 32.0 0.2 1 1161 125 125 HIS N N 130.1 0.2 1 1162 126 126 GLY H H 8.83 0.02 1 1163 126 126 GLY HA2 H 4.03 0.02 1 1164 126 126 GLY HA3 H 3.77 0.02 1 1165 126 126 GLY C C 176.8 0.2 1 1166 126 126 GLY CA C 47.0 0.2 1 1167 126 126 GLY N N 110.7 0.2 1 1168 127 127 GLY H H 9.31 0.02 1 1169 127 127 GLY HA2 H 4.00 0.02 1 1170 127 127 GLY HA3 H 3.89 0.02 1 1171 127 127 GLY C C 177.0 0.2 1 1172 127 127 GLY CA C 47.9 0.2 1 1173 127 127 GLY N N 112.5 0.2 1 1174 128 128 GLY H H 8.10 0.02 1 1175 128 128 GLY HA2 H 4.01 0.02 1 1176 128 128 GLY HA3 H 3.91 0.02 1 1177 128 128 GLY C C 177.4 0.2 1 1178 128 128 GLY CA C 46.8 0.2 1 1179 128 128 GLY N N 109.7 0.2 1 1180 129 129 LEU H H 6.98 0.02 1 1181 129 129 LEU HA H 3.96 0.02 1 1182 129 129 LEU HB2 H 1.91 0.02 1 1183 129 129 LEU HB3 H 1.43 0.02 1 1184 129 129 LEU HD1 H 0.86 0.02 2 1185 129 129 LEU HD2 H 0.76 0.02 2 1186 129 129 LEU HG H 1.84 0.02 1 1187 129 129 LEU C C 177.6 0.2 1 1188 129 129 LEU CA C 57.1 0.2 1 1189 129 129 LEU CB C 41.0 0.2 1 1190 129 129 LEU CD1 C 27.2 0.2 1 1191 129 129 LEU CD2 C 23.0 0.2 1 1192 129 129 LEU CG C 25.9 0.2 1 1193 129 129 LEU N N 121.1 0.2 1 1194 130 130 ASN H H 8.40 0.02 1 1195 130 130 ASN HA H 3.89 0.02 1 1196 130 130 ASN HB2 H 2.94 0.02 1 1197 130 130 ASN HB3 H 2.76 0.02 1 1198 130 130 ASN C C 176.6 0.2 1 1199 130 130 ASN CA C 58.8 0.2 1 1200 130 130 ASN CB C 39.7 0.2 1 1201 130 130 ASN N N 119.1 0.2 1 1202 131 131 LYS H H 7.72 0.02 1 1203 131 131 LYS HA H 4.13 0.02 1 1204 131 131 LYS HB2 H 1.95 0.02 1 1205 131 131 LYS HD2 H 1.60 0.02 1 1206 131 131 LYS HD3 H 1.54 0.02 1 1207 131 131 LYS HE2 H 2.93 0.02 1 1208 131 131 LYS HG2 H 1.66 0.02 1 1209 131 131 LYS C C 179.3 0.2 1 1210 131 131 LYS CA C 59.1 0.2 1 1211 131 131 LYS CB C 31.9 0.2 1 1212 131 131 LYS CD C 24.6 0.2 1 1213 131 131 LYS CE C 41.9 0.2 1 1214 131 131 LYS CG C 28.8 0.2 1 1215 131 131 LYS N N 116.6 0.2 1 1216 132 132 LYS H H 7.61 0.02 1 1217 132 132 LYS HA H 4.11 0.02 1 1218 132 132 LYS HB2 H 2.07 0.02 1 1219 132 132 LYS HB3 H 1.82 0.02 1 1220 132 132 LYS HD2 H 1.81 0.02 1 1221 132 132 LYS HD3 H 1.56 0.02 1 1222 132 132 LYS HE2 H 3.12 0.02 1 1223 132 132 LYS HG2 H 1.75 0.02 1 1224 132 132 LYS HG3 H 1.44 0.02 1 1225 132 132 LYS C C 178.9 0.2 1 1226 132 132 LYS CA C 59.7 0.2 1 1227 132 132 LYS CB C 32.6 0.2 1 1228 132 132 LYS CD C 30.2 0.2 1 1229 132 132 LYS CE C 40.5 0.2 1 1230 132 132 LYS CG C 23.8 0.2 1 1231 132 132 LYS N N 120.2 0.2 1 1232 133 133 ALA H H 8.13 0.02 1 1233 133 133 ALA HA H 3.78 0.02 1 1234 133 133 ALA HB H 1.18 0.02 1 1235 133 133 ALA C C 178.7 0.2 1 1236 133 133 ALA CA C 55.7 0.2 1 1237 133 133 ALA CB C 17.6 0.2 1 1238 133 133 ALA N N 122.3 0.2 1 1239 134 134 TYR H H 9.34 0.02 1 1240 134 134 TYR HA H 3.75 0.02 1 1241 134 134 TYR HB2 H 3.18 0.02 1 1242 134 134 TYR HB3 H 3.10 0.02 1 1243 134 134 TYR HD1 H 7.28 0.02 1 1244 134 134 TYR HE1 H 6.93 0.02 1 1245 134 134 TYR C C 178.2 0.2 1 1246 134 134 TYR CA C 61.4 0.2 1 1247 134 134 TYR CB C 38.6 0.2 1 1248 134 134 TYR N N 118.3 0.2 1 1249 135 135 SER H H 8.62 0.02 1 1250 135 135 SER HA H 3.86 0.02 1 1251 135 135 SER HB2 H 4.05 0.02 1 1252 135 135 SER C C 177.2 0.2 1 1253 135 135 SER CA C 61.9 0.2 1 1254 135 135 SER CB C 62.8 0.2 1 1255 135 135 SER N N 115.0 0.2 1 1256 136 136 MET H H 8.02 0.02 1 1257 136 136 MET HA H 4.76 0.02 1 1258 136 136 MET HB2 H 2.33 0.02 1 1259 136 136 MET HB3 H 2.01 0.02 1 1260 136 136 MET HG2 H 2.52 0.02 1 1261 136 136 MET C C 177.4 0.2 1 1262 136 136 MET CA C 56.9 0.2 1 1263 136 136 MET CB C 30.8 0.2 1 1264 136 136 MET CG C 32.3 0.2 1 1265 136 136 MET N N 121.8 0.2 1 1266 137 137 ALA H H 8.42 0.02 1 1267 137 137 ALA HA H 3.78 0.02 1 1268 137 137 ALA HB H 1.08 0.02 1 1269 137 137 ALA C C 178.3 0.2 1 1270 137 137 ALA CA C 55.9 0.2 1 1271 137 137 ALA CB C 16.6 0.2 1 1272 137 137 ALA N N 121.6 0.2 1 1273 138 138 LYS H H 7.86 0.02 1 1274 138 138 LYS HA H 3.77 0.02 1 1275 138 138 LYS HB2 H 1.65 0.02 1 1276 138 138 LYS HB3 H 1.26 0.02 1 1277 138 138 LYS HD2 H 1.61 0.02 1 1278 138 138 LYS HD3 H 1.54 0.02 1 1279 138 138 LYS HE2 H 3.06 0.02 1 1280 138 138 LYS HE3 H 3.01 0.02 1 1281 138 138 LYS HG2 H 1.29 0.02 1 1282 138 138 LYS C C 177.1 0.2 1 1283 138 138 LYS CA C 59.6 0.2 1 1284 138 138 LYS CB C 32.1 0.2 1 1285 138 138 LYS CD C 29.1 0.2 1 1286 138 138 LYS CE C 42.4 0.2 1 1287 138 138 LYS CG C 24.6 0.2 1 1288 138 138 LYS N N 118.4 0.2 1 1289 139 139 TYR H H 7.87 0.02 1 1290 139 139 TYR HA H 4.29 0.02 1 1291 139 139 TYR HB2 H 3.22 0.02 1 1292 139 139 TYR HD1 H 7.10 0.02 1 1293 139 139 TYR HE1 H 6.87 0.02 1 1294 139 139 TYR C C 179.4 0.2 1 1295 139 139 TYR CA C 61.3 0.2 1 1296 139 139 TYR CB C 38.2 0.2 1 1297 139 139 TYR N N 119.7 0.2 1 1298 140 140 LEU H H 8.63 0.02 1 1299 140 140 LEU HA H 3.92 0.02 1 1300 140 140 LEU HB2 H 1.85 0.02 1 1301 140 140 LEU HB3 H 1.16 0.02 1 1302 140 140 LEU HD1 H 0.56 0.02 2 1303 140 140 LEU HD2 H 0.62 0.02 2 1304 140 140 LEU HG H 1.87 0.02 1 1305 140 140 LEU C C 179.0 0.2 1 1306 140 140 LEU CA C 58.1 0.2 1 1307 140 140 LEU CB C 41.0 0.2 1 1308 140 140 LEU CD1 C 25.9 0.2 1 1309 140 140 LEU CD2 C 22.2 0.2 1 1310 140 140 LEU CG C 27.0 0.2 1 1311 140 140 LEU N N 120.8 0.2 1 1312 141 141 ARG H H 8.96 0.02 1 1313 141 141 ARG HA H 4.57 0.02 1 1314 141 141 ARG HB2 H 1.98 0.02 1 1315 141 141 ARG HD2 H 3.37 0.02 1 1316 141 141 ARG HD3 H 3.25 0.02 1 1317 141 141 ARG HG2 H 1.79 0.02 1 1318 141 141 ARG HG3 H 1.57 0.02 1 1319 141 141 ARG C C 181.5 0.2 1 1320 141 141 ARG CA C 59.3 0.2 1 1321 141 141 ARG CB C 30.3 0.2 1 1322 141 141 ARG CD C 43.5 0.2 1 1323 141 141 ARG CG C 28.0 0.2 1 1324 141 141 ARG N N 123.4 0.2 1 1325 142 142 ASP H H 8.91 0.02 1 1326 142 142 ASP HA H 4.38 0.02 1 1327 142 142 ASP HB2 H 2.80 0.02 1 1328 142 142 ASP HB3 H 2.65 0.02 1 1329 142 142 ASP C C 177.4 0.2 1 1330 142 142 ASP CA C 56.8 0.2 1 1331 142 142 ASP CB C 39.6 0.2 1 1332 142 142 ASP N N 122.0 0.2 1 1333 143 143 SER H H 7.56 0.02 1 1334 143 143 SER HA H 4.46 0.02 1 1335 143 143 SER HB2 H 4.02 0.02 1 1336 143 143 SER HB3 H 4.02 0.02 1 1337 143 143 SER C C 173.2 0.2 1 1338 143 143 SER CA C 58.6 0.2 1 1339 143 143 SER CB C 63.7 0.2 1 1340 143 143 SER N N 113.8 0.2 1 1341 144 144 GLY H H 7.73 0.02 1 1342 144 144 GLY HA2 H 4.03 0.02 1 1343 144 144 GLY HA3 H 3.67 0.02 1 1344 144 144 GLY C C 173.7 0.2 1 1345 144 144 GLY CA C 45.3 0.2 1 1346 144 144 GLY N N 107.5 0.2 1 1347 145 145 PHE H H 8.53 0.02 1 1348 145 145 PHE HA H 4.42 0.02 1 1349 145 145 PHE HB2 H 3.50 0.02 1 1350 145 145 PHE HB3 H 2.56 0.02 1 1351 145 145 PHE HD1 H 7.21 0.02 1 1352 145 145 PHE HE1 H 7.23 0.02 1 1353 145 145 PHE C C 179.2 0.2 1 1354 145 145 PHE CA C 59.4 0.2 1 1355 145 145 PHE CB C 41.6 0.2 1 1356 145 145 PHE N N 126.8 0.2 1 stop_ save_