data_15530 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Mj0056 ; _BMRB_accession_number 15530 _BMRB_flat_file_name bmr15530.str _Entry_type original _Submission_date 2007-10-18 _Accession_date 2007-10-18 _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 Coles M. . . 2 Truffault V. . . 3 Djuranovic S. . . 4 Martin J. . . 5 Lupas A. N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 826 "13C chemical shifts" 552 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-27 original author . stop_ _Original_release_date 2008-06-27 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'A CTP-dependent archaeal riboflavin kinase forms a bridge in the evolution of cradle-loop barrels' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18073108 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ammelburg M. . . 2 Hartmann M. D. . 3 Djuranovic S. . . 4 Alva V. . . 5 Koretke K. K. . 6 Martin J. . . 7 Sauer G. . . 8 Truffault V. . . 9 Zeth K. . . 10 Lupas A. N. . 11 Coles M. . . stop_ _Journal_abbreviation Structure _Journal_volume 15 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1577 _Page_last 1590 _Year 2007 _Details . loop_ _Keyword 'CTP-dependent kinase' 'riboflavin kinase' 'RIFT barrel' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name apo-Mj0056 _Enzyme_commission_number 2.7.1.26 loop_ _Mol_system_component_name _Mol_label 'Riboflavin Kinase MJ0056' $Riboflavin_Kinase_MJ0056 stop_ _System_molecular_weight 15700 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Riboflavin_Kinase_MJ0056 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Riboflavin_Kinase_MJ0056 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'riboflavin kinase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; MVKLMIIEGEVVSGLGEGRY FLSLPPYKEIFKKILGFEPY EGTLNLKLDREFDINKFKYI ETEDFEFNGKRFFGVKVLPI KILIGNKKIDGAIVVPKKTY HSSEIIEIIAPMKLREQFNL KDGDVIKILIKGDKDE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 LYS 4 LEU 5 MET 6 ILE 7 ILE 8 GLU 9 GLY 10 GLU 11 VAL 12 VAL 13 SER 14 GLY 15 LEU 16 GLY 17 GLU 18 GLY 19 ARG 20 TYR 21 PHE 22 LEU 23 SER 24 LEU 25 PRO 26 PRO 27 TYR 28 LYS 29 GLU 30 ILE 31 PHE 32 LYS 33 LYS 34 ILE 35 LEU 36 GLY 37 PHE 38 GLU 39 PRO 40 TYR 41 GLU 42 GLY 43 THR 44 LEU 45 ASN 46 LEU 47 LYS 48 LEU 49 ASP 50 ARG 51 GLU 52 PHE 53 ASP 54 ILE 55 ASN 56 LYS 57 PHE 58 LYS 59 TYR 60 ILE 61 GLU 62 THR 63 GLU 64 ASP 65 PHE 66 GLU 67 PHE 68 ASN 69 GLY 70 LYS 71 ARG 72 PHE 73 PHE 74 GLY 75 VAL 76 LYS 77 VAL 78 LEU 79 PRO 80 ILE 81 LYS 82 ILE 83 LEU 84 ILE 85 GLY 86 ASN 87 LYS 88 LYS 89 ILE 90 ASP 91 GLY 92 ALA 93 ILE 94 VAL 95 VAL 96 PRO 97 LYS 98 LYS 99 THR 100 TYR 101 HIS 102 SER 103 SER 104 GLU 105 ILE 106 ILE 107 GLU 108 ILE 109 ILE 110 ALA 111 PRO 112 MET 113 LYS 114 LEU 115 ARG 116 GLU 117 GLN 118 PHE 119 ASN 120 LEU 121 LYS 122 ASP 123 GLY 124 ASP 125 VAL 126 ILE 127 LYS 128 ILE 129 LEU 130 ILE 131 LYS 132 GLY 133 ASP 134 LYS 135 ASP 136 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 2OYN "Crystal Structure Of Cdp-Bound Protein Mj0056 From Methanococcus Jannaschii, Pfam Duf120" 100.00 146 99.26 100.00 1.11e-86 PDB 2P3M "Solution Structure Of Mj0056" 100.00 136 100.00 100.00 8.56e-87 PDB 2VBS "Riboflavin Kinase Mj0056 From Methanocaldococcus Jannaschii In Complex With Po4" 100.00 136 100.00 100.00 8.56e-87 PDB 2VBT "Riboflavin Kinase Mj0056 From Methanocaldococcus Jannaschii In Complex With Cdp And Po4" 100.00 136 100.00 100.00 8.56e-87 PDB 2VBU "Riboflavin Kinase Mj0056 From Methanocaldococcus Jannaschii In Complex With Cdp" 100.00 136 100.00 100.00 8.56e-87 PDB 2VBV "Riboflavin Kinase Mj0056 From Methanocaldococcus Jannaschii In Complex With Cdp And Fmn" 100.00 136 100.00 100.00 8.56e-87 GB AAB98036 "conserved hypothetical protein [Methanocaldococcus jannaschii DSM 2661]" 100.00 136 100.00 100.00 8.56e-87 SP Q60365 "RecName: Full=Riboflavin kinase; Short=RFK; AltName: Full=CTP-dependent riboflavin kinase; AltName: Full=CTP:riboflavin 5'-phos" 97.06 132 100.00 100.00 3.78e-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 _Gene_mnemonic $Riboflavin_Kinase_MJ0056 'Methanococcus jannaschii' 2190 Archaea . Methanococcus jannaschii Mj0056 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Riboflavin_Kinase_MJ0056 'recombinant technology' . Escherichia coli . Plasmid pET30b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.65 mM MJ0056 UNLABELLED 30 mM PHOSPHATE BUFFER; 150 MM NACL 90% H2O,10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Riboflavin_Kinase_MJ0056 0.65 mM 'natural abundance' 'sodium phosphate' 30 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.65 mM MJ0056 UNLABELLED 30 mM PHOSPHATE BUFFER; 150 MM NACL 90% H2O,10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Riboflavin_Kinase_MJ0056 0.65 mM '[U-100% 15N]' 'sodium phosphate' 30 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.65 mM MJ0056 UNLABELLED 30 mM PHOSPHATE BUFFER; 150 MM NACL 90% H2O,10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Riboflavin_Kinase_MJ0056 0.65 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 30 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.4 loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_3D_15N-SEPARATED__NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_15N-SEPARATED_ NOESY' _Sample_label $sample_2 save_ save_3D_NNH_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_NNH_NOESY _Sample_label $sample_2 save_ save_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_2 save_ save_HNHB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label $sample_2 save_ save_3D_13C-SEPARATED_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-SEPARATED_NOESY _Sample_label $sample_3 save_ save_3D_CNH_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_CNH_NOESY _Sample_label $sample_3 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_CCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _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' 150 . mM pH 7.4 . pH pressure 1 . atm temperature 300 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' '3D CCH-COSY' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Riboflavin Kinase MJ0056' _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 VAL HA H 3.72 0.02 1 2 2 2 VAL HB H 1.99 0.02 1 3 2 2 VAL HG1 H 0.95 0.02 2 4 2 2 VAL HG2 H 0.96 0.02 2 5 2 2 VAL C C 175.60 0.05 1 6 2 2 VAL CA C 62.37 0.05 1 7 2 2 VAL CB C 32.78 0.05 1 8 2 2 VAL CG1 C 20.56 0.05 2 9 2 2 VAL CG2 C 20.03 0.05 2 10 3 3 LYS H H 8.45 0.02 1 11 3 3 LYS HA H 4.36 0.02 1 12 3 3 LYS HB2 H 1.79 0.02 2 13 3 3 LYS HB3 H 1.69 0.02 2 14 3 3 LYS HD2 H 1.62 0.02 1 15 3 3 LYS HD3 H 1.62 0.02 1 16 3 3 LYS HE2 H 2.91 0.02 1 17 3 3 LYS HE3 H 2.91 0.02 1 18 3 3 LYS HG2 H 1.34 0.02 1 19 3 3 LYS HG3 H 1.34 0.02 1 20 3 3 LYS C C 175.51 0.05 1 21 3 3 LYS CA C 56.31 0.05 1 22 3 3 LYS CB C 33.36 0.05 1 23 3 3 LYS CD C 29.13 0.05 1 24 3 3 LYS CE C 42.01 0.05 1 25 3 3 LYS CG C 24.81 0.05 1 26 3 3 LYS N N 125.85 0.05 1 27 4 4 LEU H H 8.25 0.02 1 28 4 4 LEU HA H 4.63 0.02 1 29 4 4 LEU HB2 H 1.59 0.02 1 30 4 4 LEU HB3 H 1.41 0.02 1 31 4 4 LEU HD1 H 0.83 0.02 1 32 4 4 LEU HD2 H 0.81 0.02 1 33 4 4 LEU HG H 1.54 0.02 1 34 4 4 LEU C C 176.03 0.05 1 35 4 4 LEU CA C 54.67 0.05 1 36 4 4 LEU CB C 43.31 0.05 1 37 4 4 LEU CD1 C 25.08 0.05 1 38 4 4 LEU CD2 C 24.35 0.05 1 39 4 4 LEU CG C 27.00 0.05 1 40 4 4 LEU N N 123.94 0.05 1 41 5 5 MET H H 8.83 0.02 1 42 5 5 MET HA H 4.62 0.02 1 43 5 5 MET HB2 H 2.08 0.02 1 44 5 5 MET HB3 H 2.08 0.02 1 45 5 5 MET HG2 H 2.49 0.02 1 46 5 5 MET HG3 H 2.49 0.02 1 47 5 5 MET C C 173.44 0.05 1 48 5 5 MET CA C 55.09 0.05 1 49 5 5 MET CB C 34.61 0.05 1 50 5 5 MET CG C 31.78 0.05 1 51 5 5 MET N N 124.22 0.05 1 52 6 6 ILE H H 8.15 0.02 1 53 6 6 ILE HA H 5.09 0.02 1 54 6 6 ILE HB H 1.63 0.02 1 55 6 6 ILE HD1 H 0.74 0.02 1 56 6 6 ILE HG12 H 1.45 0.02 2 57 6 6 ILE HG13 H 0.86 0.02 2 58 6 6 ILE HG2 H 0.71 0.02 1 59 6 6 ILE C C 176.15 0.05 1 60 6 6 ILE CA C 59.86 0.05 1 61 6 6 ILE CB C 39.58 0.05 1 62 6 6 ILE CD1 C 13.21 0.05 1 63 6 6 ILE CG1 C 28.21 0.05 1 64 6 6 ILE CG2 C 17.65 0.05 1 65 6 6 ILE N N 124.85 0.05 1 66 7 7 ILE H H 8.96 0.02 1 67 7 7 ILE HA H 4.46 0.02 1 68 7 7 ILE HB H 1.56 0.02 1 69 7 7 ILE HD1 H 0.74 0.02 1 70 7 7 ILE HG12 H 1.31 0.02 2 71 7 7 ILE HG13 H 0.95 0.02 2 72 7 7 ILE HG2 H 0.86 0.02 1 73 7 7 ILE C C 173.97 0.05 1 74 7 7 ILE CA C 59.14 0.05 1 75 7 7 ILE CB C 41.60 0.05 1 76 7 7 ILE CD1 C 13.65 0.05 1 77 7 7 ILE CG1 C 26.96 0.05 1 78 7 7 ILE CG2 C 18.08 0.05 1 79 7 7 ILE N N 127.02 0.05 1 80 8 8 GLU H H 8.41 0.02 1 81 8 8 GLU HA H 4.99 0.02 1 82 8 8 GLU HB2 H 1.82 0.02 1 83 8 8 GLU HB3 H 1.82 0.02 1 84 8 8 GLU HG2 H 2.11 0.02 2 85 8 8 GLU HG3 H 1.95 0.02 2 86 8 8 GLU C C 175.27 0.05 1 87 8 8 GLU CA C 55.06 0.05 1 88 8 8 GLU CB C 32.18 0.05 1 89 8 8 GLU CG C 37.23 0.05 1 90 8 8 GLU N N 123.95 0.05 1 91 9 9 GLY H H 8.58 0.02 1 92 9 9 GLY HA2 H 4.70 0.02 1 93 9 9 GLY HA3 H 3.18 0.02 1 94 9 9 GLY C C 169.89 0.05 1 95 9 9 GLY CA C 45.17 0.05 1 96 9 9 GLY N N 107.18 0.05 1 97 10 10 GLU H H 8.48 0.02 1 98 10 10 GLU HA H 5.05 0.02 1 99 10 10 GLU HB2 H 1.85 0.02 1 100 10 10 GLU HB3 H 1.85 0.02 1 101 10 10 GLU HG2 H 2.02 0.02 1 102 10 10 GLU HG3 H 2.02 0.02 1 103 10 10 GLU C C 176.32 0.05 1 104 10 10 GLU CA C 53.65 0.05 1 105 10 10 GLU CB C 33.10 0.05 1 106 10 10 GLU CG C 36.22 0.05 1 107 10 10 GLU N N 121.42 0.05 1 108 11 11 VAL H H 9.25 0.02 1 109 11 11 VAL HA H 3.97 0.02 1 110 11 11 VAL HB H 2.23 0.02 1 111 11 11 VAL HG1 H 0.81 0.02 1 112 11 11 VAL HG2 H 0.85 0.02 1 113 11 11 VAL C C 176.36 0.05 1 114 11 11 VAL CA C 64.62 0.05 1 115 11 11 VAL CB C 31.90 0.05 1 116 11 11 VAL CG1 C 21.84 0.05 1 117 11 11 VAL CG2 C 22.78 0.05 1 118 11 11 VAL N N 127.11 0.05 1 119 12 12 VAL H H 8.11 0.02 1 120 12 12 VAL HA H 4.63 0.02 1 121 12 12 VAL HB H 2.16 0.02 1 122 12 12 VAL HG1 H 0.86 0.02 1 123 12 12 VAL HG2 H 0.66 0.02 1 124 12 12 VAL C C 174.62 0.05 1 125 12 12 VAL CA C 59.40 0.05 1 126 12 12 VAL CB C 36.06 0.05 1 127 12 12 VAL CG1 C 22.01 0.05 1 128 12 12 VAL CG2 C 19.01 0.05 1 129 12 12 VAL N N 123.17 0.05 1 130 13 13 SER H H 8.24 0.02 1 131 13 13 SER HA H 4.47 0.02 1 132 13 13 SER HB2 H 3.87 0.02 2 133 13 13 SER HB3 H 3.84 0.02 2 134 13 13 SER CA C 59.19 0.05 1 135 13 13 SER CB C 64.21 0.05 1 136 13 13 SER N N 116.45 0.05 1 137 15 15 LEU HA H 4.43 0.02 1 138 15 15 LEU HB2 H 1.83 0.02 2 139 15 15 LEU HB3 H 0.99 0.02 2 140 15 15 LEU HD1 H 0.60 0.02 2 141 15 15 LEU HD2 H 0.56 0.02 2 142 15 15 LEU HG H 1.60 0.02 1 143 15 15 LEU CA C 53.14 0.05 1 144 15 15 LEU CB C 42.99 0.05 1 145 15 15 LEU CD1 C 23.04 0.05 2 146 15 15 LEU CD2 C 25.49 0.05 2 147 15 15 LEU CG C 26.85 0.05 1 148 20 20 TYR HA H 4.51 0.02 1 149 20 20 TYR HB2 H 2.94 0.02 2 150 20 20 TYR HB3 H 2.83 0.02 2 151 20 20 TYR HD1 H 7.00 0.02 1 152 20 20 TYR HD2 H 7.00 0.02 1 153 20 20 TYR HE1 H 6.73 0.02 1 154 20 20 TYR HE2 H 6.73 0.02 1 155 20 20 TYR CA C 57.92 0.05 1 156 20 20 TYR CB C 39.03 0.05 1 157 22 22 LEU HA H 4.03 0.02 1 158 22 22 LEU HB2 H 1.42 0.02 2 159 22 22 LEU HB3 H 1.23 0.02 2 160 22 22 LEU HD1 H 0.53 0.02 2 161 22 22 LEU HD2 H 0.59 0.02 2 162 22 22 LEU HG H 1.05 0.02 1 163 22 22 LEU CA C 55.25 0.05 1 164 22 22 LEU CB C 42.22 0.05 1 165 22 22 LEU CD1 C 23.09 0.05 2 166 22 22 LEU CD2 C 25.50 0.05 2 167 22 22 LEU CG C 26.55 0.05 1 168 23 23 SER HA H 4.36 0.02 1 169 23 23 SER HB2 H 3.78 0.02 2 170 23 23 SER HB3 H 3.74 0.02 2 171 23 23 SER CA C 58.44 0.05 1 172 23 23 SER CB C 64.26 0.05 1 173 24 24 LEU H H 8.26 0.02 1 174 24 24 LEU HA H 4.38 0.02 1 175 24 24 LEU HB2 H 1.56 0.02 2 176 24 24 LEU HB3 H 1.54 0.02 2 177 24 24 LEU HD1 H 0.78 0.02 2 178 24 24 LEU HD2 H 0.79 0.02 2 179 24 24 LEU HG H 1.53 0.02 1 180 24 24 LEU CA C 54.89 0.05 1 181 24 24 LEU CB C 42.55 0.05 1 182 24 24 LEU CD1 C 23.37 0.05 2 183 24 24 LEU CD2 C 25.18 0.05 2 184 24 24 LEU CG C 26.96 0.05 1 185 25 25 PRO HA H 4.13 0.02 1 186 25 25 PRO HB2 H 1.83 0.02 1 187 25 25 PRO HB3 H 2.28 0.02 1 188 25 25 PRO HD2 H 3.21 0.02 1 189 25 25 PRO HD3 H 4.07 0.02 1 190 25 25 PRO HG2 H 2.22 0.02 2 191 25 25 PRO HG3 H 2.02 0.02 2 192 25 25 PRO CA C 67.07 0.05 1 193 25 25 PRO CB C 29.20 0.05 1 194 25 25 PRO CD C 50.62 0.05 1 195 25 25 PRO CG C 27.52 0.05 1 196 26 26 PRO HA H 4.68 0.02 1 197 26 26 PRO HB2 H 1.40 0.02 2 198 26 26 PRO HB3 H 0.33 0.02 2 199 26 26 PRO HD2 H 2.88 0.02 1 200 26 26 PRO HD3 H 2.60 0.02 1 201 26 26 PRO HG2 H 1.28 0.02 2 202 26 26 PRO HG3 H 1.05 0.02 2 203 26 26 PRO CA C 65.33 0.05 1 204 26 26 PRO CB C 29.92 0.05 1 205 26 26 PRO CD C 49.34 0.05 1 206 26 26 PRO CG C 28.24 0.05 1 207 27 27 TYR H H 6.85 0.02 1 208 27 27 TYR HA H 3.81 0.02 1 209 27 27 TYR HB2 H 2.78 0.02 1 210 27 27 TYR HB3 H 2.90 0.02 1 211 27 27 TYR HD1 H 6.77 0.02 1 212 27 27 TYR HD2 H 6.77 0.02 1 213 27 27 TYR HE1 H 6.85 0.02 1 214 27 27 TYR HE2 H 6.85 0.02 1 215 27 27 TYR C C 176.78 0.05 1 216 27 27 TYR CA C 61.26 0.05 1 217 27 27 TYR CB C 38.01 0.05 1 218 27 27 TYR CD1 C 116.99 0.05 1 219 27 27 TYR CD2 C 116.99 0.05 1 220 27 27 TYR CE1 C 132.21 0.05 1 221 27 27 TYR CE2 C 132.21 0.05 1 222 27 27 TYR N N 112.14 0.05 1 223 28 28 LYS H H 7.47 0.02 1 224 28 28 LYS HA H 3.80 0.02 1 225 28 28 LYS HB2 H 1.88 0.02 2 226 28 28 LYS HB3 H 1.73 0.02 2 227 28 28 LYS HD2 H 1.60 0.02 1 228 28 28 LYS HD3 H 1.60 0.02 1 229 28 28 LYS HE2 H 2.87 0.02 1 230 28 28 LYS HE3 H 2.87 0.02 1 231 28 28 LYS HG2 H 1.41 0.02 1 232 28 28 LYS HG3 H 1.41 0.02 1 233 28 28 LYS C C 178.40 0.05 1 234 28 28 LYS CA C 61.47 0.05 1 235 28 28 LYS CB C 32.16 0.05 1 236 28 28 LYS CD C 29.45 0.05 1 237 28 28 LYS CE C 41.32 0.05 1 238 28 28 LYS CG C 25.45 0.05 1 239 28 28 LYS N N 119.28 0.05 1 240 29 29 GLU H H 7.66 0.02 1 241 29 29 GLU HA H 3.90 0.02 1 242 29 29 GLU HB2 H 1.82 0.02 1 243 29 29 GLU HB3 H 1.82 0.02 1 244 29 29 GLU HG2 H 2.19 0.02 2 245 29 29 GLU HG3 H 2.10 0.02 2 246 29 29 GLU C C 179.10 0.05 1 247 29 29 GLU CA C 58.95 0.05 1 248 29 29 GLU CB C 29.57 0.05 1 249 29 29 GLU CG C 36.11 0.05 1 250 29 29 GLU N N 115.50 0.05 1 251 30 30 ILE H H 7.31 0.02 1 252 30 30 ILE HA H 3.76 0.02 1 253 30 30 ILE HB H 1.56 0.02 1 254 30 30 ILE HD1 H 0.44 0.02 1 255 30 30 ILE HG12 H 1.32 0.02 2 256 30 30 ILE HG13 H 1.02 0.02 2 257 30 30 ILE HG2 H 0.69 0.02 1 258 30 30 ILE C C 177.99 0.05 1 259 30 30 ILE CA C 63.82 0.05 1 260 30 30 ILE CB C 38.17 0.05 1 261 30 30 ILE CD1 C 13.49 0.05 1 262 30 30 ILE CG1 C 29.35 0.05 1 263 30 30 ILE CG2 C 17.66 0.05 1 264 30 30 ILE N N 120.70 0.05 1 265 31 31 PHE H H 8.38 0.02 1 266 31 31 PHE HA H 4.27 0.02 1 267 31 31 PHE HB2 H 2.93 0.02 1 268 31 31 PHE HB3 H 2.78 0.02 1 269 31 31 PHE HD1 H 7.04 0.02 1 270 31 31 PHE HD2 H 7.04 0.02 1 271 31 31 PHE HE1 H 7.11 0.02 1 272 31 31 PHE HE2 H 7.11 0.02 1 273 31 31 PHE HZ H 6.75 0.02 1 274 31 31 PHE C C 177.74 0.05 1 275 31 31 PHE CA C 60.36 0.05 1 276 31 31 PHE CB C 37.70 0.05 1 277 31 31 PHE N N 118.69 0.05 1 278 32 32 LYS H H 8.07 0.02 1 279 32 32 LYS HA H 3.82 0.02 1 280 32 32 LYS HB2 H 1.82 0.02 2 281 32 32 LYS HB3 H 1.67 0.02 2 282 32 32 LYS HD2 H 1.59 0.02 1 283 32 32 LYS HD3 H 1.59 0.02 1 284 32 32 LYS HE2 H 2.92 0.02 2 285 32 32 LYS HE3 H 2.83 0.02 2 286 32 32 LYS HG2 H 1.21 0.02 1 287 32 32 LYS HG3 H 1.21 0.02 1 288 32 32 LYS C C 179.43 0.05 1 289 32 32 LYS CA C 59.34 0.05 1 290 32 32 LYS CB C 32.21 0.05 1 291 32 32 LYS CD C 29.30 0.05 1 292 32 32 LYS CE C 42.10 0.05 1 293 32 32 LYS CG C 25.10 0.05 1 294 32 32 LYS N N 120.12 0.05 1 295 33 33 LYS H H 7.53 0.02 1 296 33 33 LYS HA H 3.98 0.02 1 297 33 33 LYS HB2 H 1.90 0.02 1 298 33 33 LYS HB3 H 1.90 0.02 1 299 33 33 LYS HD2 H 1.58 0.02 1 300 33 33 LYS HD3 H 1.58 0.02 1 301 33 33 LYS HE2 H 2.86 0.02 1 302 33 33 LYS HE3 H 2.86 0.02 1 303 33 33 LYS HG2 H 1.32 0.02 1 304 33 33 LYS HG3 H 1.32 0.02 1 305 33 33 LYS C C 178.40 0.05 1 306 33 33 LYS CA C 59.45 0.05 1 307 33 33 LYS CB C 32.83 0.05 1 308 33 33 LYS CD C 29.46 0.05 1 309 33 33 LYS CE C 42.13 0.05 1 310 33 33 LYS CG C 25.23 0.05 1 311 33 33 LYS N N 118.96 0.05 1 312 34 34 ILE H H 7.98 0.02 1 313 34 34 ILE HA H 4.02 0.02 1 314 34 34 ILE HB H 1.74 0.02 1 315 34 34 ILE HD1 H 0.69 0.02 1 316 34 34 ILE HG12 H 1.60 0.02 2 317 34 34 ILE HG13 H 1.30 0.02 2 318 34 34 ILE HG2 H 0.85 0.02 1 319 34 34 ILE C C 177.23 0.05 1 320 34 34 ILE CA C 64.02 0.05 1 321 34 34 ILE CB C 39.54 0.05 1 322 34 34 ILE CD1 C 14.23 0.05 1 323 34 34 ILE CG1 C 27.43 0.05 1 324 34 34 ILE CG2 C 17.49 0.05 1 325 34 34 ILE N N 114.03 0.05 1 326 35 35 LEU H H 8.56 0.02 1 327 35 35 LEU HA H 4.36 0.02 1 328 35 35 LEU HB2 H 1.19 0.02 1 329 35 35 LEU HB3 H 0.88 0.02 1 330 35 35 LEU HD1 H 0.31 0.02 1 331 35 35 LEU HD2 H 0.72 0.02 1 332 35 35 LEU HG H 1.50 0.02 1 333 35 35 LEU C C 178.12 0.05 1 334 35 35 LEU CA C 54.67 0.05 1 335 35 35 LEU CB C 42.55 0.05 1 336 35 35 LEU CD1 C 26.54 0.05 1 337 35 35 LEU CD2 C 22.44 0.05 1 338 35 35 LEU CG C 26.74 0.05 1 339 35 35 LEU N N 116.46 0.05 1 340 36 36 GLY H H 7.68 0.02 1 341 36 36 GLY HA2 H 3.80 0.02 1 342 36 36 GLY HA3 H 4.21 0.02 1 343 36 36 GLY C C 173.07 0.05 1 344 36 36 GLY CA C 45.50 0.05 1 345 36 36 GLY N N 105.90 0.05 1 346 37 37 PHE H H 6.76 0.02 1 347 37 37 PHE HA H 4.88 0.02 1 348 37 37 PHE HB2 H 2.94 0.02 1 349 37 37 PHE HB3 H 3.05 0.02 1 350 37 37 PHE HD1 H 6.68 0.02 1 351 37 37 PHE HD2 H 6.68 0.02 1 352 37 37 PHE HE1 H 6.72 0.02 1 353 37 37 PHE HE2 H 6.72 0.02 1 354 37 37 PHE HZ H 6.66 0.02 1 355 37 37 PHE C C 171.39 0.05 1 356 37 37 PHE CA C 54.60 0.05 1 357 37 37 PHE CB C 40.90 0.05 1 358 37 37 PHE N N 112.58 0.05 1 359 38 38 GLU H H 8.73 0.02 1 360 38 38 GLU HA H 4.59 0.02 1 361 38 38 GLU HB2 H 1.91 0.02 1 362 38 38 GLU HB3 H 1.99 0.02 1 363 38 38 GLU HG2 H 2.10 0.02 1 364 38 38 GLU HG3 H 2.10 0.02 1 365 38 38 GLU CA C 52.50 0.05 1 366 38 38 GLU CB C 30.67 0.05 1 367 38 38 GLU CG C 36.41 0.05 1 368 38 38 GLU N N 120.05 0.05 1 369 39 39 PRO HA H 4.38 0.02 1 370 39 39 PRO HB2 H 1.97 0.02 1 371 39 39 PRO HB3 H 2.01 0.02 1 372 39 39 PRO HD2 H 4.06 0.02 2 373 39 39 PRO HD3 H 3.71 0.02 2 374 39 39 PRO HG2 H 1.84 0.02 2 375 39 39 PRO HG3 H 1.46 0.02 2 376 39 39 PRO CA C 62.67 0.05 1 377 39 39 PRO CB C 32.17 0.05 1 378 39 39 PRO CD C 50.40 0.05 1 379 39 39 PRO CG C 27.78 0.05 1 380 40 40 TYR H H 8.66 0.02 1 381 40 40 TYR HA H 4.31 0.02 1 382 40 40 TYR HB2 H 2.81 0.02 1 383 40 40 TYR HB3 H 2.53 0.02 1 384 40 40 TYR HD1 H 7.10 0.02 1 385 40 40 TYR HD2 H 7.10 0.02 1 386 40 40 TYR HE1 H 6.79 0.02 1 387 40 40 TYR HE2 H 6.79 0.02 1 388 40 40 TYR C C 176.11 0.05 1 389 40 40 TYR CA C 58.49 0.05 1 390 40 40 TYR CB C 38.54 0.05 1 391 40 40 TYR N N 123.99 0.05 1 392 41 41 GLU H H 7.53 0.02 1 393 41 41 GLU HA H 3.83 0.02 1 394 41 41 GLU HB2 H 1.59 0.02 1 395 41 41 GLU HB3 H 1.72 0.02 1 396 41 41 GLU HG2 H 2.03 0.02 2 397 41 41 GLU HG3 H 1.91 0.02 2 398 41 41 GLU C C 173.84 0.05 1 399 41 41 GLU CA C 56.83 0.05 1 400 41 41 GLU CB C 27.57 0.05 1 401 41 41 GLU CG C 35.95 0.05 1 402 41 41 GLU N N 127.00 0.05 1 403 42 42 GLY H H 7.52 0.02 1 404 42 42 GLY HA2 H 4.04 0.02 1 405 42 42 GLY HA3 H 3.93 0.02 1 406 42 42 GLY C C 171.97 0.05 1 407 42 42 GLY CA C 44.87 0.05 1 408 42 42 GLY N N 112.11 0.05 1 409 43 43 THR H H 8.23 0.02 1 410 43 43 THR HA H 4.91 0.02 1 411 43 43 THR HB H 4.12 0.02 1 412 43 43 THR HG2 H 0.98 0.02 1 413 43 43 THR C C 173.82 0.05 1 414 43 43 THR CA C 59.88 0.05 1 415 43 43 THR CB C 71.54 0.05 1 416 43 43 THR CG2 C 22.52 0.05 1 417 43 43 THR N N 110.99 0.05 1 418 44 44 LEU H H 8.67 0.02 1 419 44 44 LEU HA H 4.63 0.02 1 420 44 44 LEU HB2 H 1.32 0.02 1 421 44 44 LEU HB3 H 1.57 0.02 1 422 44 44 LEU HD1 H 0.92 0.02 1 423 44 44 LEU HD2 H 0.60 0.02 1 424 44 44 LEU HG H 1.38 0.02 1 425 44 44 LEU C C 174.29 0.05 1 426 44 44 LEU CA C 53.67 0.05 1 427 44 44 LEU CB C 45.15 0.05 1 428 44 44 LEU CD1 C 24.65 0.05 1 429 44 44 LEU CD2 C 26.73 0.05 1 430 44 44 LEU CG C 27.44 0.05 1 431 44 44 LEU N N 122.79 0.05 1 432 45 45 ASN H H 8.98 0.02 1 433 45 45 ASN HA H 5.67 0.02 1 434 45 45 ASN HB2 H 2.69 0.02 1 435 45 45 ASN HB3 H 2.06 0.02 1 436 45 45 ASN HD21 H 6.57 0.02 1 437 45 45 ASN HD22 H 6.78 0.02 1 438 45 45 ASN C C 173.37 0.05 1 439 45 45 ASN CA C 52.11 0.05 1 440 45 45 ASN CB C 40.33 0.05 1 441 45 45 ASN N N 126.09 0.05 1 442 45 45 ASN ND2 N 109.10 0.05 1 443 46 46 LEU H H 8.49 0.02 1 444 46 46 LEU HA H 5.11 0.02 1 445 46 46 LEU HB2 H 1.22 0.02 1 446 46 46 LEU HB3 H 0.90 0.02 1 447 46 46 LEU HD1 H 0.46 0.02 1 448 46 46 LEU HD2 H 0.51 0.02 1 449 46 46 LEU HG H 1.21 0.02 1 450 46 46 LEU C C 174.55 0.05 1 451 46 46 LEU CA C 52.04 0.05 1 452 46 46 LEU CB C 46.53 0.05 1 453 46 46 LEU CD1 C 25.62 0.05 1 454 46 46 LEU CD2 C 23.91 0.05 1 455 46 46 LEU CG C 26.65 0.05 1 456 46 46 LEU N N 119.47 0.05 1 457 47 47 LYS H H 9.53 0.02 1 458 47 47 LYS HA H 4.86 0.02 1 459 47 47 LYS HB2 H 1.77 0.02 1 460 47 47 LYS HB3 H 1.47 0.02 1 461 47 47 LYS HD2 H 1.50 0.02 1 462 47 47 LYS HD3 H 1.50 0.02 1 463 47 47 LYS HE2 H 2.82 0.02 1 464 47 47 LYS HE3 H 2.82 0.02 1 465 47 47 LYS HG2 H 1.31 0.02 2 466 47 47 LYS HG3 H 1.22 0.02 2 467 47 47 LYS C C 176.32 0.05 1 468 47 47 LYS CA C 55.13 0.05 1 469 47 47 LYS CB C 34.74 0.05 1 470 47 47 LYS CD C 29.50 0.05 1 471 47 47 LYS CE C 41.81 0.05 1 472 47 47 LYS CG C 24.70 0.05 1 473 47 47 LYS N N 123.37 0.05 1 474 48 48 LEU H H 9.40 0.02 1 475 48 48 LEU HA H 4.80 0.02 1 476 48 48 LEU HB2 H 2.33 0.02 1 477 48 48 LEU HB3 H 1.70 0.02 1 478 48 48 LEU HD1 H 0.79 0.02 1 479 48 48 LEU HD2 H 0.56 0.02 1 480 48 48 LEU HG H 1.74 0.02 1 481 48 48 LEU C C 176.21 0.05 1 482 48 48 LEU CA C 53.70 0.05 1 483 48 48 LEU CB C 43.18 0.05 1 484 48 48 LEU CD1 C 26.22 0.05 1 485 48 48 LEU CD2 C 22.21 0.05 1 486 48 48 LEU CG C 26.40 0.05 1 487 48 48 LEU N N 129.60 0.05 1 488 49 49 ASP H H 8.46 0.02 1 489 49 49 ASP HA H 4.43 0.02 1 490 49 49 ASP HB2 H 2.86 0.02 1 491 49 49 ASP HB3 H 2.64 0.02 1 492 49 49 ASP C C 175.32 0.05 1 493 49 49 ASP CA C 54.65 0.05 1 494 49 49 ASP CB C 40.68 0.05 1 495 49 49 ASP N N 117.91 0.05 1 496 50 50 ARG H H 7.42 0.02 1 497 50 50 ARG HA H 4.55 0.02 1 498 50 50 ARG HB2 H 1.78 0.02 1 499 50 50 ARG HB3 H 1.91 0.02 1 500 50 50 ARG HD2 H 3.18 0.02 1 501 50 50 ARG HD3 H 3.18 0.02 1 502 50 50 ARG HG2 H 1.55 0.02 1 503 50 50 ARG HG3 H 1.55 0.02 1 504 50 50 ARG C C 173.96 0.05 1 505 50 50 ARG CA C 53.83 0.05 1 506 50 50 ARG CB C 32.31 0.05 1 507 50 50 ARG CD C 43.48 0.05 1 508 50 50 ARG CG C 25.25 0.05 1 509 50 50 ARG N N 115.32 0.05 1 510 51 51 GLU H H 8.41 0.02 1 511 51 51 GLU HA H 3.70 0.02 1 512 51 51 GLU HB2 H 1.78 0.02 1 513 51 51 GLU HB3 H 1.78 0.02 1 514 51 51 GLU HG2 H 2.21 0.02 2 515 51 51 GLU HG3 H 2.05 0.02 2 516 51 51 GLU C C 175.44 0.05 1 517 51 51 GLU CA C 57.55 0.05 1 518 51 51 GLU CB C 29.97 0.05 1 519 51 51 GLU CG C 36.53 0.05 1 520 51 51 GLU N N 117.62 0.05 1 521 52 52 PHE H H 8.41 0.02 1 522 52 52 PHE HA H 4.47 0.02 1 523 52 52 PHE HB2 H 2.96 0.02 1 524 52 52 PHE HB3 H 2.83 0.02 1 525 52 52 PHE HD1 H 7.05 0.02 1 526 52 52 PHE HD2 H 7.05 0.02 1 527 52 52 PHE HE1 H 6.71 0.02 1 528 52 52 PHE HE2 H 6.71 0.02 1 529 52 52 PHE HZ H 6.47 0.02 1 530 52 52 PHE CA C 57.72 0.05 1 531 52 52 PHE CB C 41.60 0.05 1 532 52 52 PHE N N 125.57 0.05 1 533 53 53 ASP HA H 4.81 0.02 1 534 53 53 ASP HB2 H 2.60 0.02 2 535 53 53 ASP HB3 H 2.31 0.02 2 536 53 53 ASP CA C 51.53 0.05 1 537 53 53 ASP CB C 41.72 0.05 1 538 54 54 ILE H H 8.73 0.02 1 539 54 54 ILE HA H 3.78 0.02 1 540 54 54 ILE HB H 1.79 0.02 1 541 54 54 ILE HD1 H 0.71 0.02 1 542 54 54 ILE HG12 H 1.54 0.02 2 543 54 54 ILE HG13 H 1.28 0.02 2 544 54 54 ILE HG2 H 0.54 0.02 1 545 54 54 ILE C C 174.55 0.05 1 546 54 54 ILE CA C 63.44 0.05 1 547 54 54 ILE CB C 38.89 0.05 1 548 54 54 ILE CD1 C 14.55 0.05 1 549 54 54 ILE CG1 C 30.52 0.05 1 550 54 54 ILE CG2 C 16.63 0.05 1 551 54 54 ILE N N 126.07 0.05 1 552 55 55 ASN H H 7.94 0.02 1 553 55 55 ASN HA H 4.70 0.02 1 554 55 55 ASN HB2 H 2.90 0.02 1 555 55 55 ASN HB3 H 2.77 0.02 1 556 55 55 ASN HD21 H 7.88 0.02 1 557 55 55 ASN HD22 H 6.75 0.02 1 558 55 55 ASN C C 176.34 0.05 1 559 55 55 ASN CA C 54.98 0.05 1 560 55 55 ASN CB C 38.10 0.05 1 561 55 55 ASN N N 115.32 0.05 1 562 55 55 ASN ND2 N 114.78 0.05 1 563 56 56 LYS H H 7.37 0.02 1 564 56 56 LYS HA H 4.01 0.02 1 565 56 56 LYS HB2 H 1.18 0.02 1 566 56 56 LYS HB3 H 1.33 0.02 1 567 56 56 LYS HD2 H 1.44 0.02 1 568 56 56 LYS HD3 H 1.44 0.02 1 569 56 56 LYS HE2 H 2.84 0.02 2 570 56 56 LYS HE3 H 2.61 0.02 2 571 56 56 LYS HG2 H 1.21 0.02 2 572 56 56 LYS HG3 H 1.06 0.02 2 573 56 56 LYS C C 174.89 0.05 1 574 56 56 LYS CA C 56.15 0.05 1 575 56 56 LYS CB C 31.63 0.05 1 576 56 56 LYS CD C 28.61 0.05 1 577 56 56 LYS CE C 41.87 0.05 1 578 56 56 LYS CG C 25.27 0.05 1 579 56 56 LYS N N 117.54 0.05 1 580 57 57 PHE H H 7.90 0.02 1 581 57 57 PHE HA H 4.75 0.02 1 582 57 57 PHE HB2 H 2.78 0.02 1 583 57 57 PHE HB3 H 3.37 0.02 1 584 57 57 PHE HD1 H 7.19 0.02 1 585 57 57 PHE HD2 H 7.19 0.02 1 586 57 57 PHE HE1 H 6.98 0.02 1 587 57 57 PHE HE2 H 6.98 0.02 1 588 57 57 PHE C C 174.68 0.05 1 589 57 57 PHE CA C 56.61 0.05 1 590 57 57 PHE CB C 43.31 0.05 1 591 57 57 PHE N N 118.85 0.05 1 592 58 58 LYS H H 8.95 0.02 1 593 58 58 LYS HA H 4.35 0.02 1 594 58 58 LYS HB2 H 1.69 0.02 1 595 58 58 LYS HB3 H 1.84 0.02 1 596 58 58 LYS HD2 H 1.62 0.02 1 597 58 58 LYS HD3 H 1.62 0.02 1 598 58 58 LYS HE3 H 2.93 0.02 2 599 58 58 LYS HG2 H 1.35 0.02 1 600 58 58 LYS HG3 H 1.35 0.02 1 601 58 58 LYS C C 175.09 0.05 1 602 58 58 LYS CA C 55.05 0.05 1 603 58 58 LYS CB C 29.86 0.05 1 604 58 58 LYS CD C 29.16 0.05 1 605 58 58 LYS CE C 42.25 0.05 1 606 58 58 LYS CG C 24.69 0.05 1 607 58 58 LYS N N 122.74 0.05 1 608 59 59 TYR H H 7.26 0.02 1 609 59 59 TYR HA H 4.89 0.02 1 610 59 59 TYR HB2 H 3.04 0.02 1 611 59 59 TYR HB3 H 2.61 0.02 1 612 59 59 TYR HD1 H 7.09 0.02 1 613 59 59 TYR HD2 H 7.09 0.02 1 614 59 59 TYR HE1 H 6.98 0.02 1 615 59 59 TYR HE2 H 6.98 0.02 1 616 59 59 TYR C C 174.21 0.05 1 617 59 59 TYR CA C 55.97 0.05 1 618 59 59 TYR CB C 39.69 0.05 1 619 59 59 TYR N N 119.72 0.05 1 620 60 60 ILE H H 9.40 0.02 1 621 60 60 ILE HA H 4.30 0.02 1 622 60 60 ILE HB H 1.70 0.02 1 623 60 60 ILE HD1 H 0.86 0.02 1 624 60 60 ILE HG12 H 1.59 0.02 2 625 60 60 ILE HG13 H 1.15 0.02 2 626 60 60 ILE HG2 H 0.88 0.02 1 627 60 60 ILE C C 174.74 0.05 1 628 60 60 ILE CA C 61.18 0.05 1 629 60 60 ILE CB C 40.95 0.05 1 630 60 60 ILE CD1 C 14.59 0.05 1 631 60 60 ILE CG1 C 28.22 0.05 1 632 60 60 ILE CG2 C 18.51 0.05 1 633 60 60 ILE N N 122.14 0.05 1 634 61 61 GLU H H 9.01 0.02 1 635 61 61 GLU HA H 5.49 0.02 1 636 61 61 GLU HB2 H 2.03 0.02 1 637 61 61 GLU HB3 H 2.13 0.02 1 638 61 61 GLU HG2 H 2.32 0.02 2 639 61 61 GLU HG3 H 2.12 0.02 2 640 61 61 GLU C C 176.29 0.05 1 641 61 61 GLU CA C 54.79 0.05 1 642 61 61 GLU CB C 33.18 0.05 1 643 61 61 GLU CG C 37.38 0.05 1 644 61 61 GLU N N 128.88 0.05 1 645 62 62 THR H H 9.06 0.02 1 646 62 62 THR HA H 4.67 0.02 1 647 62 62 THR HB H 4.59 0.02 1 648 62 62 THR HG1 H 6.24 0.02 1 649 62 62 THR HG2 H 1.03 0.02 1 650 62 62 THR C C 174.01 0.05 1 651 62 62 THR CA C 60.83 0.05 1 652 62 62 THR CB C 69.78 0.05 1 653 62 62 THR CG2 C 21.48 0.05 1 654 62 62 THR N N 117.82 0.05 1 655 63 63 GLU H H 8.79 0.02 1 656 63 63 GLU HA H 4.37 0.02 1 657 63 63 GLU HB2 H 2.16 0.02 1 658 63 63 GLU HB3 H 1.95 0.02 1 659 63 63 GLU HG2 H 2.30 0.02 1 660 63 63 GLU HG3 H 2.30 0.02 1 661 63 63 GLU C C 176.45 0.05 1 662 63 63 GLU CA C 56.13 0.05 1 663 63 63 GLU CB C 31.32 0.05 1 664 63 63 GLU CG C 36.34 0.05 1 665 63 63 GLU N N 119.80 0.05 1 666 64 64 ASP H H 8.49 0.02 1 667 64 64 ASP HA H 4.71 0.02 1 668 64 64 ASP HB2 H 2.54 0.02 1 669 64 64 ASP HB3 H 2.75 0.02 1 670 64 64 ASP C C 175.70 0.05 1 671 64 64 ASP CA C 54.38 0.05 1 672 64 64 ASP CB C 40.74 0.05 1 673 64 64 ASP N N 122.04 0.05 1 674 65 65 PHE H H 8.24 0.02 1 675 65 65 PHE HA H 4.90 0.02 1 676 65 65 PHE HB2 H 2.94 0.02 2 677 65 65 PHE HB3 H 2.90 0.02 2 678 65 65 PHE HD1 H 6.88 0.02 1 679 65 65 PHE HD2 H 6.88 0.02 1 680 65 65 PHE HE1 H 6.42 0.02 1 681 65 65 PHE HE2 H 6.42 0.02 1 682 65 65 PHE HZ H 5.93 0.02 1 683 65 65 PHE C C 172.42 0.05 1 684 65 65 PHE CA C 56.58 0.05 1 685 65 65 PHE CB C 41.11 0.05 1 686 65 65 PHE CD1 C 131.73 0.05 1 687 65 65 PHE CD2 C 131.73 0.05 1 688 65 65 PHE CE1 C 131.09 0.05 1 689 65 65 PHE CE2 C 131.09 0.05 1 690 65 65 PHE N N 116.62 0.05 1 691 66 66 GLU H H 8.61 0.02 1 692 66 66 GLU HA H 5.26 0.02 1 693 66 66 GLU HB2 H 1.80 0.02 1 694 66 66 GLU HB3 H 1.80 0.02 1 695 66 66 GLU HG2 H 2.02 0.02 2 696 66 66 GLU HG3 H 1.89 0.02 2 697 66 66 GLU C C 175.90 0.05 1 698 66 66 GLU CA C 54.57 0.05 1 699 66 66 GLU CB C 32.33 0.05 1 700 66 66 GLU CG C 36.59 0.05 1 701 66 66 GLU N N 120.18 0.05 1 702 67 67 PHE H H 9.34 0.02 1 703 67 67 PHE HA H 4.81 0.02 1 704 67 67 PHE HB2 H 3.11 0.02 1 705 67 67 PHE HB3 H 3.03 0.02 1 706 67 67 PHE HD1 H 7.23 0.02 1 707 67 67 PHE HD2 H 7.23 0.02 1 708 67 67 PHE HE1 H 7.35 0.02 1 709 67 67 PHE HE2 H 7.35 0.02 1 710 67 67 PHE HZ H 7.30 0.02 1 711 67 67 PHE CA C 58.01 0.05 1 712 67 67 PHE CB C 42.51 0.05 1 713 67 67 PHE N N 124.98 0.05 1 714 68 68 ASN H H 8.40 0.02 1 715 68 68 ASN HA H 4.09 0.02 1 716 68 68 ASN HB2 H 2.14 0.02 1 717 68 68 ASN HB3 H 2.94 0.02 1 718 68 68 ASN HD21 H 7.06 0.02 1 719 68 68 ASN HD22 H 6.56 0.02 1 720 68 68 ASN CA C 53.63 0.05 1 721 68 68 ASN CB C 37.22 0.05 1 722 68 68 ASN ND2 N 111.36 0.05 1 723 69 69 GLY H H 8.74 0.02 1 724 69 69 GLY HA2 H 4.03 0.02 1 725 69 69 GLY HA3 H 3.55 0.02 1 726 69 69 GLY C C 173.50 0.05 1 727 69 69 GLY CA C 45.54 0.05 1 728 69 69 GLY N N 103.43 0.05 1 729 70 70 LYS H H 7.70 0.02 1 730 70 70 LYS HA H 4.46 0.02 1 731 70 70 LYS HB2 H 1.67 0.02 1 732 70 70 LYS HB3 H 1.53 0.02 1 733 70 70 LYS HD2 H 1.57 0.02 1 734 70 70 LYS HD3 H 1.57 0.02 1 735 70 70 LYS HE2 H 2.84 0.02 1 736 70 70 LYS HE3 H 2.84 0.02 1 737 70 70 LYS HG2 H 1.22 0.02 2 738 70 70 LYS HG3 H 1.01 0.02 2 739 70 70 LYS C C 173.70 0.05 1 740 70 70 LYS CA C 54.37 0.05 1 741 70 70 LYS CB C 35.44 0.05 1 742 70 70 LYS CD C 29.07 0.05 1 743 70 70 LYS CE C 42.25 0.05 1 744 70 70 LYS CG C 24.89 0.05 1 745 70 70 LYS N N 121.39 0.05 1 746 71 71 ARG H H 8.02 0.02 1 747 71 71 ARG HA H 4.36 0.02 1 748 71 71 ARG HB2 H 1.38 0.02 1 749 71 71 ARG HB3 H 1.43 0.02 1 750 71 71 ARG HD2 H 2.92 0.02 2 751 71 71 ARG HD3 H 2.87 0.02 2 752 71 71 ARG HG2 H 1.22 0.02 2 753 71 71 ARG HG3 H 1.06 0.02 2 754 71 71 ARG C C 174.56 0.05 1 755 71 71 ARG CA C 55.54 0.05 1 756 71 71 ARG CB C 30.59 0.05 1 757 71 71 ARG CD C 42.92 0.05 1 758 71 71 ARG CG C 27.30 0.05 1 759 71 71 ARG N N 122.04 0.05 1 760 72 72 PHE H H 8.78 0.02 1 761 72 72 PHE HA H 4.08 0.02 1 762 72 72 PHE HB2 H 1.24 0.02 1 763 72 72 PHE HB3 H 2.61 0.02 1 764 72 72 PHE HD1 H 6.97 0.02 1 765 72 72 PHE HD2 H 6.97 0.02 1 766 72 72 PHE HE1 H 7.43 0.02 1 767 72 72 PHE HE2 H 7.43 0.02 1 768 72 72 PHE HZ H 7.32 0.02 1 769 72 72 PHE C C 174.65 0.05 1 770 72 72 PHE CA C 56.90 0.05 1 771 72 72 PHE CB C 41.24 0.05 1 772 72 72 PHE N N 125.10 0.05 1 773 73 73 PHE H H 8.19 0.02 1 774 73 73 PHE HA H 4.77 0.02 1 775 73 73 PHE HB2 H 3.00 0.02 1 776 73 73 PHE HB3 H 3.22 0.02 1 777 73 73 PHE HD1 H 7.30 0.02 1 778 73 73 PHE HD2 H 7.30 0.02 1 779 73 73 PHE HE1 H 7.23 0.02 1 780 73 73 PHE HE2 H 7.23 0.02 1 781 73 73 PHE HZ H 7.17 0.02 1 782 73 73 PHE C C 178.08 0.05 1 783 73 73 PHE CA C 56.93 0.05 1 784 73 73 PHE CB C 40.90 0.05 1 785 73 73 PHE N N 119.15 0.05 1 786 74 74 GLY H H 9.58 0.02 1 787 74 74 GLY HA2 H 4.19 0.02 1 788 74 74 GLY HA3 H 3.78 0.02 1 789 74 74 GLY C C 172.19 0.05 1 790 74 74 GLY CA C 45.09 0.05 1 791 74 74 GLY N N 109.09 0.05 1 792 75 75 VAL H H 8.33 0.02 1 793 75 75 VAL HA H 4.78 0.02 1 794 75 75 VAL HB H 1.87 0.02 1 795 75 75 VAL HG1 H 0.68 0.02 1 796 75 75 VAL HG2 H 0.73 0.02 1 797 75 75 VAL C C 174.26 0.05 1 798 75 75 VAL CA C 59.12 0.05 1 799 75 75 VAL CB C 35.95 0.05 1 800 75 75 VAL CG1 C 21.89 0.05 1 801 75 75 VAL CG2 C 19.37 0.05 1 802 75 75 VAL N N 110.50 0.05 1 803 76 76 LYS H H 8.66 0.02 1 804 76 76 LYS HA H 5.04 0.02 1 805 76 76 LYS HB2 H 1.55 0.02 1 806 76 76 LYS HB3 H 1.06 0.02 1 807 76 76 LYS HD2 H 1.22 0.02 2 808 76 76 LYS HD3 H 0.34 0.02 2 809 76 76 LYS HE2 H 2.66 0.02 2 810 76 76 LYS HE3 H 2.58 0.02 2 811 76 76 LYS HG2 H 1.05 0.02 2 812 76 76 LYS HG3 H 0.95 0.02 2 813 76 76 LYS C C 175.25 0.05 1 814 76 76 LYS CA C 55.85 0.05 1 815 76 76 LYS CB C 34.82 0.05 1 816 76 76 LYS CD C 30.03 0.05 1 817 76 76 LYS CE C 42.50 0.05 1 818 76 76 LYS CG C 26.47 0.05 1 819 76 76 LYS N N 119.79 0.05 1 820 77 77 VAL H H 9.45 0.02 1 821 77 77 VAL HA H 5.15 0.02 1 822 77 77 VAL HB H 2.02 0.02 1 823 77 77 VAL HG1 H 0.80 0.02 1 824 77 77 VAL HG2 H 0.89 0.02 1 825 77 77 VAL C C 174.39 0.05 1 826 77 77 VAL CA C 60.05 0.05 1 827 77 77 VAL CB C 35.36 0.05 1 828 77 77 VAL CG1 C 22.30 0.05 1 829 77 77 VAL CG2 C 22.27 0.05 1 830 77 77 VAL N N 119.78 0.05 1 831 78 78 LEU H H 9.20 0.02 1 832 78 78 LEU HA H 5.39 0.02 1 833 78 78 LEU HB2 H 1.11 0.02 1 834 78 78 LEU HB3 H 1.96 0.02 1 835 78 78 LEU HD1 H 0.98 0.02 1 836 78 78 LEU HD2 H 0.66 0.02 1 837 78 78 LEU HG H 1.53 0.02 1 838 78 78 LEU CA C 50.35 0.05 1 839 78 78 LEU CB C 47.10 0.05 1 840 78 78 LEU CD1 C 24.40 0.05 1 841 78 78 LEU CD2 C 27.57 0.05 1 842 78 78 LEU CG C 26.49 0.05 1 843 78 78 LEU N N 127.53 0.05 1 844 79 79 PRO HA H 4.66 0.02 1 845 79 79 PRO HB2 H 2.00 0.02 1 846 79 79 PRO HB3 H 2.56 0.02 1 847 79 79 PRO HD2 H 3.92 0.02 2 848 79 79 PRO HD3 H 3.87 0.02 2 849 79 79 PRO HG2 H 2.27 0.02 2 850 79 79 PRO HG3 H 1.72 0.02 2 851 79 79 PRO CA C 63.67 0.05 1 852 79 79 PRO CB C 32.59 0.05 1 853 79 79 PRO CD C 51.61 0.05 1 854 79 79 PRO CG C 27.78 0.05 1 855 80 80 ILE H H 8.23 0.02 1 856 80 80 ILE HA H 4.39 0.02 1 857 80 80 ILE HB H 1.85 0.02 1 858 80 80 ILE HD1 H 0.55 0.02 1 859 80 80 ILE HG12 H 0.88 0.02 2 860 80 80 ILE HG13 H 0.66 0.02 2 861 80 80 ILE HG2 H 0.80 0.02 1 862 80 80 ILE C C 175.70 0.05 1 863 80 80 ILE CA C 59.86 0.05 1 864 80 80 ILE CB C 43.53 0.05 1 865 80 80 ILE CD1 C 15.22 0.05 1 866 80 80 ILE CG1 C 25.44 0.05 1 867 80 80 ILE CG2 C 19.82 0.05 1 868 80 80 ILE N N 115.31 0.05 1 869 81 81 LYS H H 8.44 0.02 1 870 81 81 LYS HA H 5.13 0.02 1 871 81 81 LYS HB2 H 1.68 0.02 1 872 81 81 LYS HB3 H 1.99 0.02 1 873 81 81 LYS HD2 H 1.69 0.02 2 874 81 81 LYS HD3 H 1.37 0.02 2 875 81 81 LYS HE2 H 2.84 0.02 1 876 81 81 LYS HE3 H 2.84 0.02 1 877 81 81 LYS HG2 H 1.44 0.02 2 878 81 81 LYS HG3 H 1.30 0.02 2 879 81 81 LYS CA C 53.81 0.05 1 880 81 81 LYS CB C 35.41 0.05 1 881 81 81 LYS CD C 28.94 0.05 1 882 81 81 LYS CE C 42.44 0.05 1 883 81 81 LYS CG C 24.96 0.05 1 884 81 81 LYS N N 117.20 0.05 1 885 82 82 ILE H H 9.64 0.02 1 886 82 82 ILE HA H 4.14 0.02 1 887 82 82 ILE HB H 1.46 0.02 1 888 82 82 ILE HD1 H 0.61 0.02 1 889 82 82 ILE HG12 H 1.31 0.02 2 890 82 82 ILE HG13 H 0.53 0.02 2 891 82 82 ILE HG2 H 0.52 0.02 1 892 82 82 ILE C C 174.42 0.05 1 893 82 82 ILE CA C 60.97 0.05 1 894 82 82 ILE CB C 39.60 0.05 1 895 82 82 ILE CD1 C 15.61 0.05 1 896 82 82 ILE CG1 C 28.16 0.05 1 897 82 82 ILE CG2 C 18.33 0.05 1 898 82 82 ILE N N 124.36 0.05 1 899 83 83 LEU H H 8.77 0.02 1 900 83 83 LEU HA H 4.92 0.02 1 901 83 83 LEU HB2 H 1.50 0.02 1 902 83 83 LEU HB3 H 1.43 0.02 1 903 83 83 LEU HD1 H 0.64 0.02 2 904 83 83 LEU HD2 H 0.65 0.02 2 905 83 83 LEU HG H 1.39 0.02 1 906 83 83 LEU C C 175.65 0.05 1 907 83 83 LEU CA C 53.91 0.05 1 908 83 83 LEU CB C 41.38 0.05 1 909 83 83 LEU CD1 C 24.45 0.05 2 910 83 83 LEU CD2 C 24.99 0.05 2 911 83 83 LEU CG C 27.45 0.05 1 912 83 83 LEU N N 129.01 0.05 1 913 84 84 ILE H H 7.70 0.02 1 914 84 84 ILE HA H 4.06 0.02 1 915 84 84 ILE HB H 0.98 0.02 1 916 84 84 ILE HD1 H 0.12 0.02 1 917 84 84 ILE HG12 H 0.97 0.02 2 918 84 84 ILE HG13 H 0.54 0.02 2 919 84 84 ILE HG2 H 0.47 0.02 1 920 84 84 ILE CA C 60.02 0.05 1 921 84 84 ILE CB C 39.34 0.05 1 922 84 84 ILE CD1 C 13.62 0.05 1 923 84 84 ILE CG1 C 26.75 0.05 1 924 84 84 ILE CG2 C 17.25 0.05 1 925 84 84 ILE N N 124.88 0.05 1 926 85 85 GLY HA2 H 3.89 0.02 2 927 85 85 GLY HA3 H 3.63 0.02 2 928 85 85 GLY CA C 47.21 0.05 1 929 86 86 ASN HA H 4.68 0.02 1 930 86 86 ASN HB2 H 2.86 0.02 2 931 86 86 ASN HB3 H 2.81 0.02 2 932 86 86 ASN CA C 52.96 0.05 1 933 86 86 ASN CB C 38.45 0.05 1 934 87 87 LYS H H 8.18 0.02 1 935 87 87 LYS HA H 4.45 0.02 1 936 87 87 LYS HB2 H 1.88 0.02 1 937 87 87 LYS HB3 H 1.65 0.02 1 938 87 87 LYS HD3 H 1.64 0.02 2 939 87 87 LYS HE3 H 2.83 0.02 2 940 87 87 LYS HG3 H 1.45 0.02 2 941 87 87 LYS C C 175.21 0.05 1 942 87 87 LYS CA C 55.18 0.05 1 943 87 87 LYS CB C 33.97 0.05 1 944 87 87 LYS CD C 28.96 0.05 1 945 87 87 LYS CE C 41.96 0.05 1 946 87 87 LYS CG C 24.92 0.05 1 947 87 87 LYS N N 120.77 0.05 1 948 88 88 LYS H H 8.34 0.02 1 949 88 88 LYS HA H 4.97 0.02 1 950 88 88 LYS HB2 H 1.32 0.02 1 951 88 88 LYS HB3 H 1.64 0.02 1 952 88 88 LYS HD2 H 1.50 0.02 1 953 88 88 LYS HD3 H 1.50 0.02 1 954 88 88 LYS HG2 H 1.24 0.02 2 955 88 88 LYS HG3 H 1.08 0.02 2 956 88 88 LYS C C 175.41 0.05 1 957 88 88 LYS CA C 55.07 0.05 1 958 88 88 LYS CB C 34.18 0.05 1 959 88 88 LYS CD C 29.56 0.05 1 960 88 88 LYS CE C 41.85 0.05 1 961 88 88 LYS CG C 25.08 0.05 1 962 88 88 LYS N N 122.26 0.05 1 963 89 89 ILE H H 9.15 0.02 1 964 89 89 ILE HA H 4.23 0.02 1 965 89 89 ILE HB H 1.59 0.02 1 966 89 89 ILE HD1 H 0.46 0.02 1 967 89 89 ILE HG12 H 1.13 0.02 2 968 89 89 ILE HG13 H 1.03 0.02 2 969 89 89 ILE HG2 H 0.87 0.02 1 970 89 89 ILE C C 175.25 0.05 1 971 89 89 ILE CA C 59.46 0.05 1 972 89 89 ILE CB C 41.16 0.05 1 973 89 89 ILE CD1 C 14.01 0.05 1 974 89 89 ILE CG1 C 28.13 0.05 1 975 89 89 ILE CG2 C 18.23 0.05 1 976 89 89 ILE N N 126.37 0.05 1 977 90 90 ASP H H 8.41 0.02 1 978 90 90 ASP HA H 4.70 0.02 1 979 90 90 ASP HB2 H 2.27 0.02 1 980 90 90 ASP HB3 H 2.81 0.02 1 981 90 90 ASP C C 173.62 0.05 1 982 90 90 ASP CA C 56.31 0.05 1 983 90 90 ASP CB C 42.18 0.05 1 984 90 90 ASP N N 127.35 0.05 1 985 91 91 GLY H H 7.83 0.02 1 986 91 91 GLY HA2 H 4.75 0.02 1 987 91 91 GLY HA3 H 3.73 0.02 1 988 91 91 GLY C C 173.61 0.05 1 989 91 91 GLY CA C 45.61 0.05 1 990 91 91 GLY N N 102.66 0.05 1 991 92 92 ALA H H 8.66 0.02 1 992 92 92 ALA HA H 5.13 0.02 1 993 92 92 ALA HB H 1.11 0.02 1 994 92 92 ALA C C 175.29 0.05 1 995 92 92 ALA CA C 52.33 0.05 1 996 92 92 ALA CB C 22.65 0.05 1 997 92 92 ALA N N 120.10 0.05 1 998 93 93 ILE H H 8.61 0.02 1 999 93 93 ILE HA H 4.59 0.02 1 1000 93 93 ILE HB H 1.47 0.02 1 1001 93 93 ILE HD1 H 0.24 0.02 1 1002 93 93 ILE HG12 H 1.57 0.02 2 1003 93 93 ILE HG13 H 0.55 0.02 2 1004 93 93 ILE HG2 H 0.76 0.02 1 1005 93 93 ILE C C 175.49 0.05 1 1006 93 93 ILE CA C 61.33 0.05 1 1007 93 93 ILE CB C 40.69 0.05 1 1008 93 93 ILE CD1 C 14.84 0.05 1 1009 93 93 ILE CG1 C 28.54 0.05 1 1010 93 93 ILE CG2 C 17.38 0.05 1 1011 93 93 ILE N N 122.25 0.05 1 1012 94 94 VAL H H 8.18 0.02 1 1013 94 94 VAL HA H 5.08 0.02 1 1014 94 94 VAL HB H 1.54 0.02 1 1015 94 94 VAL HG1 H 0.49 0.02 1 1016 94 94 VAL HG2 H 0.60 0.02 1 1017 94 94 VAL C C 174.87 0.05 1 1018 94 94 VAL CA C 59.50 0.05 1 1019 94 94 VAL CB C 34.69 0.05 1 1020 94 94 VAL CG1 C 21.05 0.05 1 1021 94 94 VAL CG2 C 20.86 0.05 1 1022 94 94 VAL N N 123.60 0.05 1 1023 95 95 VAL H H 8.98 0.02 1 1024 95 95 VAL HA H 4.66 0.02 1 1025 95 95 VAL HB H 1.87 0.02 1 1026 95 95 VAL HG1 H 0.97 0.02 1 1027 95 95 VAL HG2 H 0.50 0.02 1 1028 95 95 VAL CA C 58.88 0.05 1 1029 95 95 VAL CB C 35.98 0.05 1 1030 95 95 VAL CG1 C 20.73 0.05 1 1031 95 95 VAL CG2 C 18.07 0.05 1 1032 95 95 VAL N N 126.31 0.05 1 1033 96 96 PRO HA H 4.51 0.02 1 1034 96 96 PRO HB2 H 1.93 0.02 1 1035 96 96 PRO HB3 H 2.37 0.02 1 1036 96 96 PRO HD2 H 3.78 0.02 2 1037 96 96 PRO HD3 H 3.57 0.02 2 1038 96 96 PRO HG2 H 2.03 0.02 2 1039 96 96 PRO HG3 H 1.78 0.02 2 1040 96 96 PRO CA C 62.77 0.05 1 1041 96 96 PRO CB C 32.66 0.05 1 1042 96 96 PRO CD C 51.36 0.05 1 1043 96 96 PRO CG C 27.96 0.05 1 1044 97 97 LYS H H 8.22 0.02 1 1045 97 97 LYS HA H 3.88 0.02 1 1046 97 97 LYS HB2 H 1.68 0.02 1 1047 97 97 LYS HB3 H 1.68 0.02 1 1048 97 97 LYS HD2 H 1.84 0.02 1 1049 97 97 LYS HD3 H 1.84 0.02 1 1050 97 97 LYS HE2 H 2.99 0.02 1 1051 97 97 LYS HE3 H 2.99 0.02 1 1052 97 97 LYS HG2 H 1.30 0.02 1 1053 97 97 LYS HG3 H 1.30 0.02 1 1054 97 97 LYS C C 176.57 0.05 1 1055 97 97 LYS CA C 58.86 0.05 1 1056 97 97 LYS CB C 32.89 0.05 1 1057 97 97 LYS CD C 29.68 0.05 1 1058 97 97 LYS CE C 41.72 0.05 1 1059 97 97 LYS CG C 25.75 0.05 1 1060 97 97 LYS N N 120.35 0.05 1 1061 98 98 LYS H H 8.00 0.02 1 1062 98 98 LYS HA H 3.67 0.02 1 1063 98 98 LYS CA C 55.77 0.05 1 1064 98 98 LYS CE C 42.60 0.05 1 1065 98 98 LYS N N 116.94 0.05 1 1066 99 99 THR HA H 4.16 0.02 1 1067 99 99 THR HB H 3.98 0.02 1 1068 99 99 THR HG2 H 1.07 0.02 1 1069 99 99 THR CA C 61.74 0.05 1 1070 99 99 THR CB C 69.71 0.05 1 1071 99 99 THR CG2 C 21.59 0.05 1 1072 100 100 TYR HA H 4.33 0.02 1 1073 100 100 TYR HB2 H 3.05 0.02 2 1074 100 100 TYR HB3 H 2.91 0.02 2 1075 100 100 TYR HD1 H 7.06 0.02 1 1076 100 100 TYR HD2 H 7.06 0.02 1 1077 100 100 TYR HE1 H 6.92 0.02 1 1078 100 100 TYR HE2 H 6.92 0.02 1 1079 100 100 TYR CA C 59.33 0.05 1 1080 100 100 TYR CB C 37.83 0.05 1 1081 101 101 HIS HA H 4.64 0.02 1 1082 101 101 HIS HB2 H 3.13 0.02 2 1083 101 101 HIS HB3 H 3.06 0.02 2 1084 101 101 HIS HD2 H 7.01 0.02 1 1085 101 101 HIS HE1 H 8.06 0.02 1 1086 101 101 HIS CA C 55.10 0.05 1 1087 101 101 HIS CB C 31.63 0.05 1 1088 102 102 SER HA H 4.53 0.02 1 1089 102 102 SER HB2 H 3.81 0.02 2 1090 102 102 SER HB3 H 3.74 0.02 2 1091 102 102 SER CA C 58.15 0.05 1 1092 102 102 SER CB C 63.84 0.05 1 1093 102 102 SER N N 116.00 0.05 1 1094 103 103 SER H H 8.36 0.02 1 1095 103 103 SER HA H 4.68 0.02 1 1096 103 103 SER HB2 H 3.99 0.02 2 1097 103 103 SER HB3 H 3.86 0.02 2 1098 103 103 SER C C 174.14 0.05 1 1099 103 103 SER CA C 58.40 0.05 1 1100 103 103 SER CB C 64.72 0.05 1 1101 103 103 SER N N 116.00 0.05 1 1102 104 104 GLU H H 9.35 0.02 1 1103 104 104 GLU HA H 4.57 0.02 1 1104 104 104 GLU HB2 H 1.99 0.02 1 1105 104 104 GLU HB3 H 1.99 0.02 1 1106 104 104 GLU HG2 H 2.19 0.02 2 1107 104 104 GLU HG3 H 2.09 0.02 2 1108 104 104 GLU C C 173.87 0.05 1 1109 104 104 GLU CA C 57.03 0.05 1 1110 104 104 GLU CB C 29.38 0.05 1 1111 104 104 GLU CG C 36.20 0.05 1 1112 104 104 GLU N N 124.50 0.05 1 1113 105 105 ILE H H 8.00 0.02 1 1114 105 105 ILE HA H 5.16 0.02 1 1115 105 105 ILE HB H 1.69 0.02 1 1116 105 105 ILE HD1 H 0.77 0.02 1 1117 105 105 ILE HG12 H 1.46 0.02 2 1118 105 105 ILE HG13 H 1.03 0.02 2 1119 105 105 ILE HG2 H 0.59 0.02 1 1120 105 105 ILE C C 176.80 0.05 1 1121 105 105 ILE CA C 59.17 0.05 1 1122 105 105 ILE CB C 38.60 0.05 1 1123 105 105 ILE CD1 C 12.24 0.05 1 1124 105 105 ILE CG1 C 27.95 0.05 1 1125 105 105 ILE CG2 C 17.38 0.05 1 1126 105 105 ILE N N 119.81 0.05 1 1127 106 106 ILE H H 8.82 0.02 1 1128 106 106 ILE HA H 4.71 0.02 1 1129 106 106 ILE HB H 1.47 0.02 1 1130 106 106 ILE HD1 H 0.33 0.02 1 1131 106 106 ILE HG12 H 1.30 0.02 2 1132 106 106 ILE HG13 H 0.83 0.02 2 1133 106 106 ILE HG2 H 0.49 0.02 1 1134 106 106 ILE C C 173.75 0.05 1 1135 106 106 ILE CA C 58.84 0.05 1 1136 106 106 ILE CB C 41.99 0.05 1 1137 106 106 ILE CD1 C 14.27 0.05 1 1138 106 106 ILE CG1 C 25.71 0.05 1 1139 106 106 ILE CG2 C 18.13 0.05 1 1140 106 106 ILE N N 120.14 0.05 1 1141 107 107 GLU H H 8.77 0.02 1 1142 107 107 GLU HA H 4.77 0.02 1 1143 107 107 GLU HB2 H 2.05 0.02 1 1144 107 107 GLU HB3 H 1.90 0.02 1 1145 107 107 GLU HG3 H 2.06 0.02 2 1146 107 107 GLU C C 174.61 0.05 1 1147 107 107 GLU CA C 55.95 0.05 1 1148 107 107 GLU CB C 32.19 0.05 1 1149 107 107 GLU CG C 37.02 0.05 1 1150 107 107 GLU N N 122.88 0.05 1 1151 108 108 ILE H H 8.80 0.02 1 1152 108 108 ILE HA H 5.19 0.02 1 1153 108 108 ILE HB H 1.77 0.02 1 1154 108 108 ILE HD1 H 0.48 0.02 1 1155 108 108 ILE HG12 H 1.25 0.02 2 1156 108 108 ILE HG13 H 0.86 0.02 2 1157 108 108 ILE HG2 H 0.65 0.02 1 1158 108 108 ILE C C 176.24 0.05 1 1159 108 108 ILE CA C 58.83 0.05 1 1160 108 108 ILE CB C 41.31 0.05 1 1161 108 108 ILE CD1 C 14.09 0.05 1 1162 108 108 ILE CG1 C 27.64 0.05 1 1163 108 108 ILE CG2 C 17.97 0.05 1 1164 108 108 ILE N N 120.55 0.05 1 1165 109 109 ILE H H 8.81 0.02 1 1166 109 109 ILE HA H 4.90 0.02 1 1167 109 109 ILE HB H 1.86 0.02 1 1168 109 109 ILE HD1 H -0.06 0.02 1 1169 109 109 ILE HG12 H 1.23 0.02 2 1170 109 109 ILE HG13 H 0.87 0.02 2 1171 109 109 ILE HG2 H 0.75 0.02 1 1172 109 109 ILE C C 174.17 0.05 1 1173 109 109 ILE CA C 59.02 0.05 1 1174 109 109 ILE CB C 41.57 0.05 1 1175 109 109 ILE CD1 C 13.33 0.05 1 1176 109 109 ILE CG1 C 25.76 0.05 1 1177 109 109 ILE CG2 C 18.46 0.05 1 1178 109 109 ILE N N 117.25 0.05 1 1179 110 110 ALA H H 8.97 0.02 1 1180 110 110 ALA HA H 4.64 0.02 1 1181 110 110 ALA HB H 1.41 0.02 1 1182 110 110 ALA CA C 51.25 0.05 1 1183 110 110 ALA CB C 20.82 0.05 1 1184 110 110 ALA N N 121.62 0.05 1 1185 111 111 PRO HA H 4.62 0.02 1 1186 111 111 PRO HB2 H 1.88 0.02 1 1187 111 111 PRO HB3 H 1.95 0.02 1 1188 111 111 PRO HD2 H 3.25 0.02 1 1189 111 111 PRO HD3 H 2.59 0.02 1 1190 111 111 PRO HG2 H 1.57 0.02 2 1191 111 111 PRO HG3 H 0.96 0.02 2 1192 111 111 PRO CA C 63.85 0.05 1 1193 111 111 PRO CB C 31.77 0.05 1 1194 111 111 PRO CD C 51.20 0.05 1 1195 111 111 PRO CG C 26.43 0.05 1 1196 112 112 MET H H 7.20 0.02 1 1197 112 112 MET HA H 4.66 0.02 1 1198 112 112 MET HB2 H 1.78 0.02 1 1199 112 112 MET HB3 H 1.99 0.02 1 1200 112 112 MET HG2 H 2.25 0.02 2 1201 112 112 MET HG3 H 2.00 0.02 2 1202 112 112 MET CA C 53.83 0.05 1 1203 112 112 MET CB C 33.93 0.05 1 1204 112 112 MET CG C 31.05 0.05 1 1205 112 112 MET N N 114.55 0.05 1 1206 113 113 LYS HA H 3.56 0.02 1 1207 113 113 LYS HB2 H 1.56 0.02 2 1208 113 113 LYS HB3 H 0.66 0.02 2 1209 113 113 LYS HD2 H 1.48 0.02 2 1210 113 113 LYS HD3 H 1.43 0.02 2 1211 113 113 LYS HE2 H 2.89 0.02 2 1212 113 113 LYS HE3 H 2.79 0.02 2 1213 113 113 LYS HG2 H 0.94 0.02 2 1214 113 113 LYS HG3 H 0.59 0.02 2 1215 113 113 LYS CA C 55.87 0.05 1 1216 113 113 LYS CB C 30.72 0.05 1 1217 113 113 LYS CD C 29.62 0.05 1 1218 113 113 LYS CE C 42.11 0.05 1 1219 113 113 LYS CG C 25.27 0.05 1 1220 114 114 LEU H H 7.57 0.02 1 1221 114 114 LEU HA H 3.80 0.02 1 1222 114 114 LEU HB2 H 1.70 0.02 1 1223 114 114 LEU HB3 H 1.16 0.02 1 1224 114 114 LEU HD1 H 0.70 0.02 1 1225 114 114 LEU HD2 H 0.70 0.02 1 1226 114 114 LEU HG H 1.67 0.02 1 1227 114 114 LEU C C 178.10 0.05 1 1228 114 114 LEU CA C 58.72 0.05 1 1229 114 114 LEU CB C 43.39 0.05 1 1230 114 114 LEU CD1 C 26.81 0.05 1 1231 114 114 LEU CD2 C 24.27 0.05 1 1232 114 114 LEU CG C 26.60 0.05 1 1233 114 114 LEU N N 128.45 0.05 1 1234 115 115 ARG H H 8.97 0.02 1 1235 115 115 ARG HA H 3.72 0.02 1 1236 115 115 ARG HB2 H 1.63 0.02 1 1237 115 115 ARG HB3 H 1.76 0.02 1 1238 115 115 ARG HD2 H 3.24 0.02 2 1239 115 115 ARG HD3 H 3.05 0.02 2 1240 115 115 ARG HG2 H 1.66 0.02 2 1241 115 115 ARG HG3 H 1.33 0.02 2 1242 115 115 ARG C C 177.71 0.05 1 1243 115 115 ARG CA C 60.08 0.05 1 1244 115 115 ARG CB C 30.31 0.05 1 1245 115 115 ARG CD C 43.49 0.05 1 1246 115 115 ARG CG C 28.69 0.05 1 1247 115 115 ARG N N 115.47 0.05 1 1248 116 116 GLU H H 7.12 0.02 1 1249 116 116 GLU HA H 4.11 0.02 1 1250 116 116 GLU HB2 H 1.83 0.02 1 1251 116 116 GLU HB3 H 1.83 0.02 1 1252 116 116 GLU HG3 H 2.10 0.02 2 1253 116 116 GLU C C 178.33 0.05 1 1254 116 116 GLU CA C 58.17 0.05 1 1255 116 116 GLU CB C 30.80 0.05 1 1256 116 116 GLU CG C 36.55 0.05 1 1257 116 116 GLU N N 115.43 0.05 1 1258 117 117 GLN H H 8.02 0.02 1 1259 117 117 GLN HA H 3.68 0.02 1 1260 117 117 GLN HB2 H 1.61 0.02 1 1261 117 117 GLN HB3 H 1.18 0.02 1 1262 117 117 GLN HE21 H 7.07 0.02 1 1263 117 117 GLN HE22 H 6.64 0.02 1 1264 117 117 GLN HG2 H 1.60 0.02 1 1265 117 117 GLN HG3 H 1.60 0.02 1 1266 117 117 GLN C C 176.65 0.05 1 1267 117 117 GLN CA C 58.14 0.05 1 1268 117 117 GLN CB C 28.52 0.05 1 1269 117 117 GLN CG C 33.42 0.05 1 1270 117 117 GLN N N 117.13 0.05 1 1271 117 117 GLN NE2 N 111.87 0.05 1 1272 118 118 PHE H H 7.39 0.02 1 1273 118 118 PHE HA H 4.59 0.02 1 1274 118 118 PHE HB2 H 2.51 0.02 1 1275 118 118 PHE HB3 H 3.36 0.02 1 1276 118 118 PHE HD1 H 7.20 0.02 1 1277 118 118 PHE HD2 H 7.20 0.02 1 1278 118 118 PHE HE1 H 7.11 0.02 1 1279 118 118 PHE HE2 H 7.11 0.02 1 1280 118 118 PHE HZ H 7.05 0.02 1 1281 118 118 PHE C C 173.68 0.05 1 1282 118 118 PHE CA C 57.25 0.05 1 1283 118 118 PHE CB C 38.63 0.05 1 1284 118 118 PHE N N 111.30 0.05 1 1285 119 119 ASN H H 7.28 0.02 1 1286 119 119 ASN HA H 4.36 0.02 1 1287 119 119 ASN HB2 H 2.58 0.02 1 1288 119 119 ASN HB3 H 2.98 0.02 1 1289 119 119 ASN HD21 H 7.48 0.02 2 1290 119 119 ASN HD22 H 6.70 0.02 2 1291 119 119 ASN C C 174.19 0.05 1 1292 119 119 ASN CA C 54.26 0.05 1 1293 119 119 ASN CB C 37.00 0.05 1 1294 119 119 ASN N N 117.71 0.05 1 1295 119 119 ASN ND2 N 112.10 0.05 1 1296 120 120 LEU H H 7.81 0.02 1 1297 120 120 LEU HA H 4.52 0.02 1 1298 120 120 LEU HB2 H 1.55 0.02 1 1299 120 120 LEU HB3 H 1.24 0.02 1 1300 120 120 LEU HD1 H 0.59 0.02 1 1301 120 120 LEU HD2 H 0.74 0.02 1 1302 120 120 LEU HG H 1.56 0.02 1 1303 120 120 LEU C C 176.36 0.05 1 1304 120 120 LEU CA C 54.34 0.05 1 1305 120 120 LEU CB C 44.16 0.05 1 1306 120 120 LEU CD1 C 26.17 0.05 1 1307 120 120 LEU CD2 C 22.68 0.05 1 1308 120 120 LEU CG C 26.36 0.05 1 1309 120 120 LEU N N 115.49 0.05 1 1310 121 121 LYS H H 8.91 0.02 1 1311 121 121 LYS HA H 4.43 0.02 1 1312 121 121 LYS HB2 H 1.67 0.02 1 1313 121 121 LYS HB3 H 1.67 0.02 1 1314 121 121 LYS HD2 H 1.60 0.02 1 1315 121 121 LYS HD3 H 1.60 0.02 1 1316 121 121 LYS HE2 H 2.95 0.02 1 1317 121 121 LYS HE3 H 2.95 0.02 1 1318 121 121 LYS HG2 H 1.40 0.02 2 1319 121 121 LYS HG3 H 1.27 0.02 2 1320 121 121 LYS C C 175.23 0.05 1 1321 121 121 LYS CA C 53.66 0.05 1 1322 121 121 LYS CB C 35.31 0.05 1 1323 121 121 LYS CD C 28.89 0.05 1 1324 121 121 LYS CE C 42.11 0.05 1 1325 121 121 LYS CG C 23.75 0.05 1 1326 121 121 LYS N N 122.83 0.05 1 1327 122 122 ASP H H 8.39 0.02 1 1328 122 122 ASP HA H 4.16 0.02 1 1329 122 122 ASP HB2 H 2.42 0.02 1 1330 122 122 ASP HB3 H 2.56 0.02 1 1331 122 122 ASP C C 177.74 0.05 1 1332 122 122 ASP CA C 56.00 0.05 1 1333 122 122 ASP CB C 39.01 0.05 1 1334 122 122 ASP N N 121.07 0.05 1 1335 123 123 GLY H H 9.31 0.02 1 1336 123 123 GLY HA2 H 3.72 0.02 1 1337 123 123 GLY HA3 H 4.44 0.02 1 1338 123 123 GLY C C 174.62 0.05 1 1339 123 123 GLY CA C 44.68 0.05 1 1340 123 123 GLY N N 113.67 0.05 1 1341 124 124 ASP H H 8.10 0.02 1 1342 124 124 ASP HA H 4.56 0.02 1 1343 124 124 ASP HB2 H 2.77 0.02 1 1344 124 124 ASP HB3 H 2.48 0.02 1 1345 124 124 ASP C C 174.96 0.05 1 1346 124 124 ASP CA C 55.41 0.05 1 1347 124 124 ASP CB C 41.02 0.05 1 1348 124 124 ASP N N 122.38 0.05 1 1349 125 125 VAL H H 8.28 0.02 1 1350 125 125 VAL HA H 4.88 0.02 1 1351 125 125 VAL HB H 1.81 0.02 1 1352 125 125 VAL HG1 H 0.78 0.02 1 1353 125 125 VAL HG2 H 0.89 0.02 1 1354 125 125 VAL C C 176.87 0.05 1 1355 125 125 VAL CA C 61.63 0.05 1 1356 125 125 VAL CB C 33.03 0.05 1 1357 125 125 VAL CG1 C 21.26 0.05 1 1358 125 125 VAL CG2 C 21.21 0.05 1 1359 125 125 VAL N N 120.40 0.05 1 1360 126 126 ILE H H 8.79 0.02 1 1361 126 126 ILE HA H 4.60 0.02 1 1362 126 126 ILE HB H 1.73 0.02 1 1363 126 126 ILE HD1 H 0.48 0.02 1 1364 126 126 ILE HG12 H 0.96 0.02 2 1365 126 126 ILE HG13 H 0.88 0.02 2 1366 126 126 ILE HG2 H 0.63 0.02 1 1367 126 126 ILE C C 173.32 0.05 1 1368 126 126 ILE CA C 58.83 0.05 1 1369 126 126 ILE CB C 40.53 0.05 1 1370 126 126 ILE CD1 C 13.16 0.05 1 1371 126 126 ILE CG1 C 26.07 0.05 1 1372 126 126 ILE CG2 C 18.16 0.05 1 1373 126 126 ILE N N 124.03 0.05 1 1374 127 127 LYS H H 7.47 0.02 1 1375 127 127 LYS HA H 5.14 0.02 1 1376 127 127 LYS HB2 H 1.69 0.02 1 1377 127 127 LYS HB3 H 1.51 0.02 1 1378 127 127 LYS HD2 H 1.49 0.02 1 1379 127 127 LYS HD3 H 1.49 0.02 1 1380 127 127 LYS HE2 H 2.83 0.02 1 1381 127 127 LYS HE3 H 2.83 0.02 1 1382 127 127 LYS HG2 H 1.42 0.02 2 1383 127 127 LYS HG3 H 1.20 0.02 2 1384 127 127 LYS C C 174.35 0.05 1 1385 127 127 LYS CA C 54.83 0.05 1 1386 127 127 LYS CB C 36.34 0.05 1 1387 127 127 LYS CD C 29.85 0.05 1 1388 127 127 LYS CE C 42.10 0.05 1 1389 127 127 LYS CG C 26.22 0.05 1 1390 127 127 LYS N N 118.89 0.05 1 1391 128 128 ILE H H 8.95 0.02 1 1392 128 128 ILE HA H 4.82 0.02 1 1393 128 128 ILE HB H 1.63 0.02 1 1394 128 128 ILE HD1 H 0.40 0.02 1 1395 128 128 ILE HG12 H 1.13 0.02 2 1396 128 128 ILE HG13 H 0.90 0.02 2 1397 128 128 ILE HG2 H 0.51 0.02 1 1398 128 128 ILE C C 173.13 0.05 1 1399 128 128 ILE CA C 58.46 0.05 1 1400 128 128 ILE CB C 40.55 0.05 1 1401 128 128 ILE CD1 C 13.64 0.05 1 1402 128 128 ILE CG1 C 26.45 0.05 1 1403 128 128 ILE CG2 C 18.08 0.05 1 1404 128 128 ILE N N 117.16 0.05 1 1405 129 129 LEU H H 9.01 0.02 1 1406 129 129 LEU HA H 5.10 0.02 1 1407 129 129 LEU HB2 H 1.52 0.02 2 1408 129 129 LEU HB3 H 1.33 0.02 2 1409 129 129 LEU HD1 H 0.71 0.02 2 1410 129 129 LEU HD2 H 0.76 0.02 2 1411 129 129 LEU HG H 1.37 0.02 1 1412 129 129 LEU C C 175.98 0.05 1 1413 129 129 LEU CA C 53.64 0.05 1 1414 129 129 LEU CB C 45.29 0.05 1 1415 129 129 LEU CD1 C 25.41 0.05 2 1416 129 129 LEU CD2 C 25.42 0.05 2 1417 129 129 LEU CG C 27.70 0.05 1 1418 129 129 LEU N N 125.15 0.05 1 1419 130 130 ILE H H 8.96 0.02 1 1420 130 130 ILE HA H 4.18 0.02 1 1421 130 130 ILE HB H 1.71 0.02 1 1422 130 130 ILE HD1 H 0.36 0.02 1 1423 130 130 ILE HG12 H 1.31 0.02 2 1424 130 130 ILE HG13 H 0.80 0.02 2 1425 130 130 ILE HG2 H 0.74 0.02 1 1426 130 130 ILE C C 175.01 0.05 1 1427 130 130 ILE CA C 60.83 0.05 1 1428 130 130 ILE CB C 39.92 0.05 1 1429 130 130 ILE CD1 C 13.49 0.05 1 1430 130 130 ILE CG1 C 27.70 0.05 1 1431 130 130 ILE CG2 C 18.24 0.05 1 1432 130 130 ILE N N 126.50 0.05 1 1433 131 131 LYS H H 8.21 0.02 1 1434 131 131 LYS HA H 4.47 0.02 1 1435 131 131 LYS HB2 H 1.69 0.02 1 1436 131 131 LYS HB3 H 1.84 0.02 1 1437 131 131 LYS HD2 H 1.62 0.02 1 1438 131 131 LYS HD3 H 1.62 0.02 1 1439 131 131 LYS HE3 H 2.82 0.02 2 1440 131 131 LYS HG2 H 1.39 0.02 1 1441 131 131 LYS HG3 H 1.39 0.02 1 1442 131 131 LYS C C 176.46 0.05 1 1443 131 131 LYS CA C 56.71 0.05 1 1444 131 131 LYS CB C 33.46 0.05 1 1445 131 131 LYS CD C 29.75 0.05 1 1446 131 131 LYS CE C 42.02 0.05 1 1447 131 131 LYS CG C 25.35 0.05 1 1448 131 131 LYS N N 127.53 0.05 1 1449 132 132 GLY H H 8.55 0.02 1 1450 132 132 GLY HA2 H 4.27 0.02 1 1451 132 132 GLY HA3 H 3.88 0.02 1 1452 132 132 GLY C C 173.23 0.05 1 1453 132 132 GLY CA C 45.10 0.05 1 1454 132 132 GLY N N 111.52 0.05 1 1455 133 133 ASP H H 8.31 0.02 1 1456 133 133 ASP HA H 4.64 0.02 1 1457 133 133 ASP HB2 H 2.62 0.02 1 1458 133 133 ASP HB3 H 2.62 0.02 1 1459 133 133 ASP C C 175.95 0.05 1 1460 133 133 ASP CA C 54.59 0.05 1 1461 133 133 ASP CB C 42.16 0.05 1 1462 133 133 ASP N N 120.21 0.05 1 1463 134 134 LYS H H 8.28 0.02 1 1464 134 134 LYS HA H 4.29 0.02 1 1465 134 134 LYS HB3 H 1.81 0.02 2 1466 134 134 LYS HD3 H 1.64 0.02 2 1467 134 134 LYS HE2 H 2.93 0.02 1 1468 134 134 LYS HE3 H 2.93 0.02 1 1469 134 134 LYS HG2 H 1.40 0.02 2 1470 134 134 LYS HG3 H 1.34 0.02 2 1471 134 134 LYS CA C 56.35 0.05 1 1472 134 134 LYS CB C 33.44 0.05 1 1473 134 134 LYS CD C 29.13 0.05 1 1474 134 134 LYS CE C 41.50 0.05 1 1475 134 134 LYS CG C 24.25 0.05 1 1476 134 134 LYS N N 120.19 0.05 1 1477 135 135 ASP HA H 4.60 0.02 1 1478 135 135 ASP HB2 H 2.68 0.02 2 1479 135 135 ASP HB3 H 2.49 0.02 2 1480 135 135 ASP CA C 54.65 0.05 1 1481 135 135 ASP CB C 41.28 0.05 1 1482 136 136 GLU H H 7.79 0.02 1 1483 136 136 GLU HA H 4.07 0.02 1 1484 136 136 GLU HB2 H 1.97 0.02 2 1485 136 136 GLU HB3 H 1.83 0.02 2 1486 136 136 GLU HG2 H 2.13 0.02 1 1487 136 136 GLU HG3 H 2.13 0.02 1 1488 136 136 GLU CA C 58.00 0.05 1 1489 136 136 GLU CB C 31.50 0.05 1 1490 136 136 GLU CG C 36.63 0.05 1 1491 136 136 GLU N N 125.79 0.05 1 stop_ save_