data_25061 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of De novo designed Protein, Northeast Structural Genomics Consortium (NESG) Target OR457 ; _BMRB_accession_number 25061 _BMRB_flat_file_name bmr25061.str _Entry_type original _Submission_date 2014-07-01 _Accession_date 2014-07-01 _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 Pulavarti 'Surya VSRK' . . 2 Nivon Lucas . . 3 Maglaqui Melissa . . 4 Janjua Haleema . . 5 Mao Lei . . 6 Xiao Rong . . 7 Kornhaber Gregory . . 8 Baker David . . 9 Montelione Gaetano . . 10 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 780 "13C chemical shifts" 583 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-15 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 25062 OR462 stop_ _Original_release_date 2014-09-15 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of De novo designed Protein, Northeast Structural Genomics Consortium (NESG) Target OR457' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pulavarti 'Surya VSRK' . . 2 Nivon Lucas . . 3 Maglaqui Melissa . . 4 Janjua Haleema . . 5 Mao Lei . . 6 Xiao Rong . . 7 Kornhaber Gregory . . 8 Baker David . . 9 Montelione Gaetano . . 10 Szyperski Thomas . . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Structure of De novo designed Protein OR457' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label OR457 $OR457 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_OR457 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common OR457 _Molecular_mass 15904.374 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; MGTVVIVVSNDERILEELLE VVLKSDPNVKTVRTDDKEKV KEEIEKARKQGRPIVIFIRG AYEEVVRDIVEYAQKEGLRV LVIKVAQDQELLERFYEQLK KDGVDVRVTDNEDEAKKRLK ELLEKVGSLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 THR 4 VAL 5 VAL 6 ILE 7 VAL 8 VAL 9 SER 10 ASN 11 ASP 12 GLU 13 ARG 14 ILE 15 LEU 16 GLU 17 GLU 18 LEU 19 LEU 20 GLU 21 VAL 22 VAL 23 LEU 24 LYS 25 SER 26 ASP 27 PRO 28 ASN 29 VAL 30 LYS 31 THR 32 VAL 33 ARG 34 THR 35 ASP 36 ASP 37 LYS 38 GLU 39 LYS 40 VAL 41 LYS 42 GLU 43 GLU 44 ILE 45 GLU 46 LYS 47 ALA 48 ARG 49 LYS 50 GLN 51 GLY 52 ARG 53 PRO 54 ILE 55 VAL 56 ILE 57 PHE 58 ILE 59 ARG 60 GLY 61 ALA 62 TYR 63 GLU 64 GLU 65 VAL 66 VAL 67 ARG 68 ASP 69 ILE 70 VAL 71 GLU 72 TYR 73 ALA 74 GLN 75 LYS 76 GLU 77 GLY 78 LEU 79 ARG 80 VAL 81 LEU 82 VAL 83 ILE 84 LYS 85 VAL 86 ALA 87 GLN 88 ASP 89 GLN 90 GLU 91 LEU 92 LEU 93 GLU 94 ARG 95 PHE 96 TYR 97 GLU 98 GLN 99 LEU 100 LYS 101 LYS 102 ASP 103 GLY 104 VAL 105 ASP 106 VAL 107 ARG 108 VAL 109 THR 110 ASP 111 ASN 112 GLU 113 ASP 114 GLU 115 ALA 116 LYS 117 LYS 118 ARG 119 LEU 120 LYS 121 GLU 122 LEU 123 LEU 124 GLU 125 LYS 126 VAL 127 GLY 128 SER 129 LEU 130 GLU 131 HIS 132 HIS 133 HIS 134 HIS 135 HIS 136 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-09 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 2MR5 "Solution Nmr Structure Of De Novo Designed Protein, Northeast Structural Genomics Consortium (nesg) Target Or457" 100.00 136 100.00 100.00 2.57e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $OR457 . . . . . . 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 $OR457 'recombinant technology' . Escherichia coli BL21(DE3)pMgK pET21_NESG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.85 mM OR457.004, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $OR457 0.85 mM [U-13C,15N] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.8 mM OR457.003, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $OR457 0.8 mM '[5% 13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis,peak picking,chemical shift assignment' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address 'Peter Guntert' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'UB High-field NMR facility' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details 'UB High-field NMR facility' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_GFT-4,3d_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT-4,3d HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY aromatic' _Sample_label $sample_2 save_ save_3D_simultaneous_(13C-Aliphatic,_aromatic_&15-N)_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simultaneous (13C-Aliphatic, aromatic &15-N) NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na 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 $AutoAssign $VNMRJ $PROSA $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HN(CA)CO' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D simultaneous (13C-Aliphatic, aromatic &15-N) NOESY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name OR457 _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 GLY HA2 H 3.568 0.030 2 2 2 2 GLY HA3 H 3.447 0.030 2 3 2 2 GLY CA C 45.319 0.450 1 4 3 3 THR HA H 4.820 0.030 1 5 3 3 THR HB H 3.723 0.030 1 6 3 3 THR HG2 H 0.997 0.030 1 7 3 3 THR C C 172.374 0.450 1 8 3 3 THR CA C 62.760 0.450 1 9 3 3 THR CB C 71.441 0.450 1 10 3 3 THR CG2 C 21.672 0.450 1 11 4 4 VAL H H 9.097 0.030 1 12 4 4 VAL HA H 4.568 0.030 1 13 4 4 VAL HB H 1.938 0.030 1 14 4 4 VAL HG1 H 0.722 0.030 2 15 4 4 VAL HG2 H 0.857 0.030 2 16 4 4 VAL C C 173.116 0.450 1 17 4 4 VAL CA C 60.455 0.450 1 18 4 4 VAL CB C 33.800 0.450 1 19 4 4 VAL CG1 C 20.934 0.450 1 20 4 4 VAL CG2 C 22.126 0.450 1 21 4 4 VAL N N 126.881 0.450 1 22 5 5 VAL H H 8.811 0.030 1 23 5 5 VAL HA H 4.887 0.030 1 24 5 5 VAL HB H 1.999 0.030 1 25 5 5 VAL HG1 H 0.770 0.030 2 26 5 5 VAL HG2 H 0.711 0.030 2 27 5 5 VAL C C 174.091 0.450 1 28 5 5 VAL CA C 60.118 0.450 1 29 5 5 VAL CB C 32.935 0.450 1 30 5 5 VAL CG1 C 21.038 0.450 1 31 5 5 VAL CG2 C 20.579 0.450 1 32 5 5 VAL N N 127.172 0.450 1 33 6 6 ILE H H 9.210 0.030 1 34 6 6 ILE HA H 4.620 0.030 1 35 6 6 ILE HB H 1.749 0.030 1 36 6 6 ILE HG12 H 1.538 0.030 2 37 6 6 ILE HG13 H 0.727 0.030 2 38 6 6 ILE HG2 H 0.767 0.030 1 39 6 6 ILE HD1 H 0.696 0.030 1 40 6 6 ILE C C 173.328 0.450 1 41 6 6 ILE CA C 59.832 0.450 1 42 6 6 ILE CB C 39.930 0.450 1 43 6 6 ILE CG1 C 27.831 0.450 1 44 6 6 ILE CG2 C 18.106 0.450 1 45 6 6 ILE CD1 C 15.045 0.450 1 46 6 6 ILE N N 127.577 0.450 1 47 7 7 VAL H H 9.294 0.030 1 48 7 7 VAL HA H 4.805 0.030 1 49 7 7 VAL HB H 1.594 0.030 1 50 7 7 VAL HG1 H 0.783 0.030 2 51 7 7 VAL HG2 H 0.420 0.030 2 52 7 7 VAL C C 173.561 0.450 1 53 7 7 VAL CA C 60.849 0.450 1 54 7 7 VAL CB C 32.360 0.450 1 55 7 7 VAL CG1 C 21.614 0.450 1 56 7 7 VAL CG2 C 21.280 0.450 1 57 7 7 VAL N N 129.024 0.450 1 58 8 8 VAL H H 8.898 0.030 1 59 8 8 VAL HA H 5.396 0.030 1 60 8 8 VAL HB H 1.780 0.030 1 61 8 8 VAL HG1 H 0.957 0.030 2 62 8 8 VAL HG2 H 0.919 0.030 2 63 8 8 VAL C C 175.723 0.450 1 64 8 8 VAL CA C 59.617 0.450 1 65 8 8 VAL CB C 34.915 0.450 1 66 8 8 VAL CG1 C 21.076 0.450 1 67 8 8 VAL CG2 C 20.856 0.450 1 68 8 8 VAL N N 125.318 0.450 1 69 9 9 SER H H 7.833 0.030 1 70 9 9 SER HA H 4.724 0.030 1 71 9 9 SER HB2 H 3.885 0.030 2 72 9 9 SER HB3 H 3.341 0.030 2 73 9 9 SER C C 174.552 0.450 1 74 9 9 SER CA C 57.419 0.450 1 75 9 9 SER CB C 64.998 0.450 1 76 9 9 SER N N 116.544 0.450 1 77 10 10 ASN HA H 4.912 0.030 1 78 10 10 ASN HB2 H 2.981 0.030 2 79 10 10 ASN HB3 H 2.770 0.030 2 80 10 10 ASN HD21 H 7.040 0.030 2 81 10 10 ASN HD22 H 7.662 0.030 2 82 10 10 ASN C C 176.170 0.450 1 83 10 10 ASN CA C 54.141 0.450 1 84 10 10 ASN CB C 38.626 0.450 1 85 10 10 ASN ND2 N 112.460 0.450 1 86 11 11 ASP H H 8.142 0.030 1 87 11 11 ASP HA H 4.843 0.030 1 88 11 11 ASP HB2 H 2.412 0.030 1 89 11 11 ASP HB3 H 2.872 0.030 1 90 11 11 ASP C C 176.148 0.450 1 91 11 11 ASP CA C 52.620 0.450 1 92 11 11 ASP CB C 42.631 0.450 1 93 11 11 ASP N N 120.164 0.450 1 94 12 12 GLU H H 9.152 0.030 1 95 12 12 GLU HA H 3.853 0.030 1 96 12 12 GLU HB2 H 2.079 0.030 1 97 12 12 GLU HB3 H 2.079 0.030 1 98 12 12 GLU HG2 H 2.370 0.030 1 99 12 12 GLU HG3 H 2.370 0.030 1 100 12 12 GLU C C 177.853 0.450 1 101 12 12 GLU CA C 59.547 0.450 1 102 12 12 GLU CB C 29.819 0.450 1 103 12 12 GLU CG C 36.017 0.450 1 104 12 12 GLU N N 127.184 0.450 1 105 13 13 ARG H H 8.389 0.030 1 106 13 13 ARG HA H 4.103 0.030 1 107 13 13 ARG HB2 H 1.969 0.030 2 108 13 13 ARG HB3 H 1.855 0.030 2 109 13 13 ARG HG2 H 1.847 0.030 2 110 13 13 ARG HG3 H 1.612 0.030 2 111 13 13 ARG HD2 H 3.128 0.030 1 112 13 13 ARG HD3 H 3.128 0.030 1 113 13 13 ARG C C 179.151 0.450 1 114 13 13 ARG CA C 58.943 0.450 1 115 13 13 ARG CB C 28.757 0.450 1 116 13 13 ARG CG C 26.587 0.450 1 117 13 13 ARG CD C 42.568 0.450 1 118 13 13 ARG N N 119.026 0.450 1 119 14 14 ILE H H 7.254 0.030 1 120 14 14 ILE HA H 3.601 0.030 1 121 14 14 ILE HB H 2.156 0.030 1 122 14 14 ILE HG12 H 1.554 0.030 2 123 14 14 ILE HG13 H 1.014 0.030 2 124 14 14 ILE HG2 H 0.823 0.030 1 125 14 14 ILE HD1 H 0.839 0.030 1 126 14 14 ILE C C 177.905 0.450 1 127 14 14 ILE CA C 64.666 0.450 1 128 14 14 ILE CB C 36.780 0.450 1 129 14 14 ILE CG1 C 29.145 0.450 1 130 14 14 ILE CG2 C 16.881 0.450 1 131 14 14 ILE CD1 C 12.661 0.450 1 132 14 14 ILE N N 119.238 0.450 1 133 15 15 LEU H H 7.412 0.030 1 134 15 15 LEU HA H 3.921 0.030 1 135 15 15 LEU HB2 H 2.044 0.030 1 136 15 15 LEU HB3 H 1.327 0.030 1 137 15 15 LEU HG H 1.795 0.030 1 138 15 15 LEU HD1 H 0.930 0.030 2 139 15 15 LEU HD2 H 0.855 0.030 2 140 15 15 LEU C C 178.062 0.450 1 141 15 15 LEU CA C 58.411 0.450 1 142 15 15 LEU CB C 41.169 0.450 1 143 15 15 LEU CG C 26.198 0.450 1 144 15 15 LEU CD1 C 23.221 0.450 1 145 15 15 LEU CD2 C 25.470 0.450 1 146 15 15 LEU N N 117.008 0.450 1 147 16 16 GLU H H 7.981 0.030 1 148 16 16 GLU HA H 3.701 0.030 1 149 16 16 GLU HB2 H 2.160 0.030 2 150 16 16 GLU HB3 H 2.040 0.030 2 151 16 16 GLU HG2 H 2.406 0.030 2 152 16 16 GLU HG3 H 2.202 0.030 2 153 16 16 GLU C C 179.182 0.450 1 154 16 16 GLU CA C 59.417 0.450 1 155 16 16 GLU CB C 29.459 0.450 1 156 16 16 GLU CG C 36.287 0.450 1 157 16 16 GLU N N 117.637 0.450 1 158 17 17 GLU H H 8.248 0.030 1 159 17 17 GLU HA H 4.016 0.030 1 160 17 17 GLU HB2 H 2.062 0.030 1 161 17 17 GLU HB3 H 2.062 0.030 1 162 17 17 GLU HG2 H 2.474 0.030 2 163 17 17 GLU HG3 H 2.223 0.030 2 164 17 17 GLU C C 179.949 0.450 1 165 17 17 GLU CA C 59.195 0.450 1 166 17 17 GLU CB C 29.540 0.450 1 167 17 17 GLU CG C 36.412 0.450 1 168 17 17 GLU N N 119.759 0.450 1 169 18 18 LEU H H 8.486 0.030 1 170 18 18 LEU HA H 4.081 0.030 1 171 18 18 LEU HB2 H 2.076 0.030 2 172 18 18 LEU HB3 H 1.417 0.030 2 173 18 18 LEU HG H 2.054 0.030 1 174 18 18 LEU HD1 H 0.789 0.030 2 175 18 18 LEU HD2 H 0.790 0.030 2 176 18 18 LEU C C 177.620 0.450 1 177 18 18 LEU CA C 57.678 0.450 1 178 18 18 LEU CB C 41.110 0.450 1 179 18 18 LEU CG C 26.859 0.450 1 180 18 18 LEU CD1 C 22.908 0.450 1 181 18 18 LEU CD2 C 26.887 0.450 1 182 18 18 LEU N N 119.764 0.450 1 183 19 19 LEU H H 7.870 0.030 1 184 19 19 LEU HA H 3.662 0.030 1 185 19 19 LEU HB2 H 0.415 0.030 1 186 19 19 LEU HB3 H 1.554 0.030 1 187 19 19 LEU HG H 1.190 0.030 1 188 19 19 LEU HD1 H 0.629 0.030 2 189 19 19 LEU HD2 H 0.652 0.030 2 190 19 19 LEU C C 178.343 0.450 1 191 19 19 LEU CA C 59.236 0.450 1 192 19 19 LEU CB C 40.651 0.450 1 193 19 19 LEU CG C 27.073 0.450 1 194 19 19 LEU CD1 C 24.772 0.450 1 195 19 19 LEU CD2 C 25.271 0.450 1 196 19 19 LEU N N 123.102 0.450 1 197 20 20 GLU H H 7.497 0.030 1 198 20 20 GLU HA H 3.904 0.030 1 199 20 20 GLU HB2 H 2.081 0.030 1 200 20 20 GLU HB3 H 2.081 0.030 1 201 20 20 GLU HG2 H 2.350 0.030 2 202 20 20 GLU HG3 H 2.237 0.030 2 203 20 20 GLU C C 177.707 0.450 1 204 20 20 GLU CA C 59.392 0.450 1 205 20 20 GLU CB C 28.977 0.450 1 206 20 20 GLU CG C 35.977 0.450 1 207 20 20 GLU N N 117.884 0.450 1 208 21 21 VAL H H 7.514 0.030 1 209 21 21 VAL HA H 3.624 0.030 1 210 21 21 VAL HB H 2.513 0.030 1 211 21 21 VAL HG1 H 0.910 0.030 2 212 21 21 VAL HG2 H 1.159 0.030 2 213 21 21 VAL C C 178.523 0.450 1 214 21 21 VAL CA C 66.197 0.450 1 215 21 21 VAL CB C 31.147 0.450 1 216 21 21 VAL CG1 C 21.159 0.450 1 217 21 21 VAL CG2 C 23.107 0.450 1 218 21 21 VAL N N 117.709 0.450 1 219 22 22 VAL H H 7.863 0.030 1 220 22 22 VAL HA H 3.446 0.030 1 221 22 22 VAL HB H 2.433 0.030 1 222 22 22 VAL HG1 H 0.941 0.030 2 223 22 22 VAL HG2 H 1.274 0.030 2 224 22 22 VAL C C 176.868 0.450 1 225 22 22 VAL CA C 67.013 0.450 1 226 22 22 VAL CB C 31.314 0.450 1 227 22 22 VAL CG1 C 22.436 0.450 1 228 22 22 VAL CG2 C 24.003 0.450 1 229 22 22 VAL N N 121.233 0.450 1 230 23 23 LEU H H 8.151 0.030 1 231 23 23 LEU HA H 4.065 0.030 1 232 23 23 LEU HB2 H 1.465 0.030 1 233 23 23 LEU HB3 H 1.789 0.030 1 234 23 23 LEU HG H 1.756 0.030 1 235 23 23 LEU HD1 H 0.831 0.030 2 236 23 23 LEU HD2 H 0.893 0.030 2 237 23 23 LEU C C 179.701 0.450 1 238 23 23 LEU CA C 57.296 0.450 1 239 23 23 LEU CB C 41.704 0.450 1 240 23 23 LEU CG C 26.711 0.450 1 241 23 23 LEU CD1 C 25.305 0.450 1 242 23 23 LEU CD2 C 23.173 0.450 1 243 23 23 LEU N N 118.101 0.450 1 244 24 24 LYS H H 7.823 0.030 1 245 24 24 LYS HA H 4.137 0.030 1 246 24 24 LYS HB2 H 1.867 0.030 1 247 24 24 LYS HB3 H 1.867 0.030 1 248 24 24 LYS HG2 H 1.580 0.030 2 249 24 24 LYS HG3 H 1.468 0.030 2 250 24 24 LYS HD2 H 1.654 0.030 1 251 24 24 LYS HD3 H 1.654 0.030 1 252 24 24 LYS HE2 H 2.972 0.030 1 253 24 24 LYS HE3 H 2.972 0.030 1 254 24 24 LYS C C 178.062 0.450 1 255 24 24 LYS CA C 57.368 0.450 1 256 24 24 LYS CB C 32.594 0.450 1 257 24 24 LYS CG C 25.235 0.450 1 258 24 24 LYS CD C 29.091 0.450 1 259 24 24 LYS CE C 41.852 0.450 1 260 24 24 LYS N N 114.622 0.450 1 261 25 25 SER H H 7.798 0.030 1 262 25 25 SER HA H 4.377 0.030 1 263 25 25 SER HB2 H 3.949 0.030 2 264 25 25 SER HB3 H 3.885 0.030 2 265 25 25 SER C C 174.520 0.450 1 266 25 25 SER CA C 61.049 0.450 1 267 25 25 SER CB C 63.777 0.450 1 268 25 25 SER N N 115.474 0.450 1 269 26 26 ASP H H 7.990 0.030 1 270 26 26 ASP HA H 4.886 0.030 1 271 26 26 ASP HB2 H 2.591 0.030 1 272 26 26 ASP HB3 H 2.810 0.030 1 273 26 26 ASP C C 173.521 0.450 1 274 26 26 ASP CA C 52.048 0.450 1 275 26 26 ASP CB C 42.202 0.450 1 276 26 26 ASP N N 117.424 0.450 1 277 27 27 PRO HA H 4.645 0.030 1 278 27 27 PRO HB2 H 2.435 0.030 2 279 27 27 PRO HB3 H 1.999 0.030 2 280 27 27 PRO HG2 H 2.076 0.030 2 281 27 27 PRO HG3 H 1.930 0.030 2 282 27 27 PRO HD2 H 3.875 0.030 2 283 27 27 PRO HD3 H 3.595 0.030 2 284 27 27 PRO C C 177.016 0.450 1 285 27 27 PRO CA C 63.601 0.450 1 286 27 27 PRO CB C 32.173 0.450 1 287 27 27 PRO CG C 26.622 0.450 1 288 27 27 PRO CD C 50.485 0.450 1 289 28 28 ASN H H 8.608 0.030 1 290 28 28 ASN HA H 4.692 0.030 1 291 28 28 ASN HB2 H 2.815 0.030 1 292 28 28 ASN HB3 H 2.815 0.030 1 293 28 28 ASN HD21 H 7.080 0.030 2 294 28 28 ASN HD22 H 8.050 0.030 2 295 28 28 ASN C C 175.701 0.450 1 296 28 28 ASN CA C 53.472 0.450 1 297 28 28 ASN CB C 39.213 0.450 1 298 28 28 ASN N N 115.839 0.450 1 299 28 28 ASN ND2 N 115.294 0.450 1 300 29 29 VAL H H 7.428 0.030 1 301 29 29 VAL HA H 3.815 0.030 1 302 29 29 VAL HB H 2.015 0.030 1 303 29 29 VAL HG1 H 0.807 0.030 2 304 29 29 VAL HG2 H 0.919 0.030 2 305 29 29 VAL C C 175.023 0.450 1 306 29 29 VAL CA C 62.552 0.450 1 307 29 29 VAL CB C 32.147 0.450 1 308 29 29 VAL CG1 C 21.918 0.450 1 309 29 29 VAL CG2 C 22.481 0.450 1 310 29 29 VAL N N 120.770 0.450 1 311 30 30 LYS H H 8.457 0.030 1 312 30 30 LYS HA H 4.479 0.030 1 313 30 30 LYS HB2 H 1.928 0.030 2 314 30 30 LYS HB3 H 1.664 0.030 2 315 30 30 LYS HG2 H 1.551 0.030 2 316 30 30 LYS HG3 H 1.350 0.030 2 317 30 30 LYS HD2 H 1.816 0.030 2 318 30 30 LYS HD3 H 1.644 0.030 2 319 30 30 LYS HE2 H 2.926 0.030 1 320 30 30 LYS HE3 H 2.926 0.030 1 321 30 30 LYS C C 174.777 0.450 1 322 30 30 LYS CA C 55.204 0.450 1 323 30 30 LYS CB C 31.949 0.450 1 324 30 30 LYS CG C 24.039 0.450 1 325 30 30 LYS CD C 27.404 0.450 1 326 30 30 LYS CE C 41.762 0.450 1 327 30 30 LYS N N 127.345 0.450 1 328 31 31 THR H H 8.164 0.030 1 329 31 31 THR HA H 5.723 0.030 1 330 31 31 THR HB H 4.099 0.030 1 331 31 31 THR HG2 H 1.232 0.030 1 332 31 31 THR C C 174.593 0.450 1 333 31 31 THR CA C 59.030 0.450 1 334 31 31 THR CB C 72.206 0.450 1 335 31 31 THR CG2 C 22.692 0.450 1 336 31 31 THR N N 113.552 0.450 1 337 32 32 VAL H H 8.615 0.030 1 338 32 32 VAL HA H 4.405 0.030 1 339 32 32 VAL HB H 2.096 0.030 1 340 32 32 VAL HG1 H 0.971 0.030 2 341 32 32 VAL HG2 H 0.877 0.030 2 342 32 32 VAL C C 172.663 0.450 1 343 32 32 VAL CA C 61.072 0.450 1 344 32 32 VAL CB C 35.051 0.450 1 345 32 32 VAL CG1 C 21.401 0.450 1 346 32 32 VAL CG2 C 21.940 0.450 1 347 32 32 VAL N N 119.206 0.450 1 348 33 33 ARG H H 8.996 0.030 1 349 33 33 ARG HA H 5.331 0.030 1 350 33 33 ARG HB2 H 1.984 0.030 2 351 33 33 ARG HB3 H 1.481 0.030 2 352 33 33 ARG HG2 H 1.723 0.030 2 353 33 33 ARG HG3 H 1.365 0.030 2 354 33 33 ARG HD2 H 3.156 0.030 2 355 33 33 ARG HD3 H 2.925 0.030 2 356 33 33 ARG C C 173.836 0.450 1 357 33 33 ARG CA C 54.150 0.450 1 358 33 33 ARG CB C 30.028 0.450 1 359 33 33 ARG CG C 27.532 0.450 1 360 33 33 ARG CD C 42.509 0.450 1 361 33 33 ARG N N 130.278 0.450 1 362 34 34 THR H H 8.126 0.030 1 363 34 34 THR HA H 4.483 0.030 1 364 34 34 THR HB H 4.292 0.030 1 365 34 34 THR HG2 H 0.912 0.030 1 366 34 34 THR C C 169.769 0.450 1 367 34 34 THR CA C 60.814 0.450 1 368 34 34 THR CB C 67.402 0.450 1 369 34 34 THR CG2 C 20.205 0.450 1 370 34 34 THR N N 121.695 0.450 1 371 35 35 ASP H H 7.983 0.030 1 372 35 35 ASP HA H 4.824 0.030 1 373 35 35 ASP HB2 H 2.334 0.030 2 374 35 35 ASP HB3 H 2.108 0.030 2 375 35 35 ASP C C 174.790 0.450 1 376 35 35 ASP CA C 53.386 0.450 1 377 35 35 ASP CB C 41.848 0.450 1 378 35 35 ASP N N 122.198 0.450 1 379 36 36 ASP H H 8.157 0.030 1 380 36 36 ASP HA H 4.593 0.030 1 381 36 36 ASP HB2 H 2.901 0.030 2 382 36 36 ASP HB3 H 2.490 0.030 2 383 36 36 ASP C C 176.189 0.450 1 384 36 36 ASP CA C 53.055 0.450 1 385 36 36 ASP CB C 42.159 0.450 1 386 36 36 ASP N N 121.091 0.450 1 387 37 37 LYS H H 8.843 0.030 1 388 37 37 LYS HA H 3.722 0.030 1 389 37 37 LYS HB2 H 1.872 0.030 2 390 37 37 LYS HB3 H 1.799 0.030 2 391 37 37 LYS HG2 H 1.492 0.030 2 392 37 37 LYS HG3 H 1.364 0.030 2 393 37 37 LYS HD2 H 1.729 0.030 1 394 37 37 LYS HD3 H 1.729 0.030 1 395 37 37 LYS HE2 H 2.975 0.030 1 396 37 37 LYS HE3 H 2.975 0.030 1 397 37 37 LYS C C 176.870 0.450 1 398 37 37 LYS CA C 59.404 0.450 1 399 37 37 LYS CB C 32.394 0.450 1 400 37 37 LYS CG C 24.051 0.450 1 401 37 37 LYS CD C 29.468 0.450 1 402 37 37 LYS CE C 41.858 0.450 1 403 37 37 LYS N N 125.839 0.450 1 404 38 38 GLU H H 8.182 0.030 1 405 38 38 GLU HA H 4.007 0.030 1 406 38 38 GLU HB2 H 2.069 0.030 1 407 38 38 GLU HB3 H 2.069 0.030 1 408 38 38 GLU HG2 H 2.403 0.030 2 409 38 38 GLU HG3 H 2.202 0.030 2 410 38 38 GLU C C 179.502 0.450 1 411 38 38 GLU CA C 58.670 0.450 1 412 38 38 GLU CB C 28.474 0.450 1 413 38 38 GLU CG C 36.075 0.450 1 414 38 38 GLU N N 118.369 0.450 1 415 39 39 LYS H H 7.524 0.030 1 416 39 39 LYS HA H 4.165 0.030 1 417 39 39 LYS HB2 H 2.078 0.030 2 418 39 39 LYS HB3 H 1.903 0.030 2 419 39 39 LYS HG2 H 1.455 0.030 1 420 39 39 LYS HG3 H 1.455 0.030 1 421 39 39 LYS HD2 H 1.799 0.030 2 422 39 39 LYS HD3 H 1.724 0.030 2 423 39 39 LYS HE2 H 2.985 0.030 2 424 39 39 LYS HE3 H 2.907 0.030 2 425 39 39 LYS C C 178.500 0.450 1 426 39 39 LYS CA C 57.736 0.450 1 427 39 39 LYS CB C 31.138 0.450 1 428 39 39 LYS CG C 24.752 0.450 1 429 39 39 LYS CD C 28.110 0.450 1 430 39 39 LYS CE C 41.884 0.450 1 431 39 39 LYS N N 121.722 0.450 1 432 40 40 VAL H H 7.883 0.030 1 433 40 40 VAL HA H 3.228 0.030 1 434 40 40 VAL HB H 2.088 0.030 1 435 40 40 VAL HG1 H 0.868 0.030 1 436 40 40 VAL HG2 H 0.868 0.030 1 437 40 40 VAL C C 177.362 0.450 1 438 40 40 VAL CA C 67.642 0.450 1 439 40 40 VAL CB C 30.903 0.450 1 440 40 40 VAL CG1 C 23.521 0.450 1 441 40 40 VAL CG2 C 23.521 0.450 1 442 40 40 VAL N N 117.199 0.450 1 443 41 41 LYS H H 7.567 0.030 1 444 41 41 LYS HA H 3.442 0.030 1 445 41 41 LYS HB2 H 1.530 0.030 2 446 41 41 LYS HB3 H 1.246 0.030 2 447 41 41 LYS HG2 H 1.248 0.030 2 448 41 41 LYS HG3 H 0.372 0.030 2 449 41 41 LYS HD2 H 1.257 0.030 1 450 41 41 LYS HD3 H 1.257 0.030 1 451 41 41 LYS HE2 H 2.444 0.030 1 452 41 41 LYS HE3 H 2.444 0.030 1 453 41 41 LYS C C 177.686 0.450 1 454 41 41 LYS CA C 60.809 0.450 1 455 41 41 LYS CB C 31.615 0.450 1 456 41 41 LYS CG C 25.312 0.450 1 457 41 41 LYS CD C 29.390 0.450 1 458 41 41 LYS CE C 41.508 0.450 1 459 41 41 LYS N N 117.677 0.450 1 460 42 42 GLU H H 7.634 0.030 1 461 42 42 GLU HA H 4.007 0.030 1 462 42 42 GLU HB2 H 2.149 0.030 1 463 42 42 GLU HB3 H 2.149 0.030 1 464 42 42 GLU HG2 H 2.413 0.030 2 465 42 42 GLU HG3 H 2.137 0.030 2 466 42 42 GLU C C 179.725 0.450 1 467 42 42 GLU CA C 59.069 0.450 1 468 42 42 GLU CB C 29.539 0.450 1 469 42 42 GLU CG C 36.026 0.450 1 470 42 42 GLU N N 118.369 0.450 1 471 43 43 GLU H H 8.162 0.030 1 472 43 43 GLU HA H 4.183 0.030 1 473 43 43 GLU HB2 H 2.005 0.030 2 474 43 43 GLU HB3 H 1.919 0.030 2 475 43 43 GLU HG2 H 2.562 0.030 2 476 43 43 GLU HG3 H 2.185 0.030 2 477 43 43 GLU C C 179.757 0.450 1 478 43 43 GLU CA C 58.366 0.450 1 479 43 43 GLU CB C 28.841 0.450 1 480 43 43 GLU CG C 35.414 0.450 1 481 43 43 GLU N N 117.906 0.450 1 482 44 44 ILE H H 8.742 0.030 1 483 44 44 ILE HA H 3.612 0.030 1 484 44 44 ILE HB H 2.105 0.030 1 485 44 44 ILE HG12 H 2.031 0.030 2 486 44 44 ILE HG13 H 0.814 0.030 2 487 44 44 ILE HG2 H 0.878 0.030 1 488 44 44 ILE HD1 H 0.808 0.030 1 489 44 44 ILE C C 177.101 0.450 1 490 44 44 ILE CA C 66.355 0.450 1 491 44 44 ILE CB C 37.460 0.450 1 492 44 44 ILE CG1 C 29.504 0.450 1 493 44 44 ILE CG2 C 17.308 0.450 1 494 44 44 ILE CD1 C 15.062 0.450 1 495 44 44 ILE N N 122.291 0.450 1 496 45 45 GLU H H 8.171 0.030 1 497 45 45 GLU HA H 4.058 0.030 1 498 45 45 GLU HB2 H 2.082 0.030 2 499 45 45 GLU HB3 H 2.005 0.030 2 500 45 45 GLU HG2 H 2.244 0.030 1 501 45 45 GLU HG3 H 2.244 0.030 1 502 45 45 GLU C C 178.991 0.450 1 503 45 45 GLU CA C 59.665 0.450 1 504 45 45 GLU CB C 29.161 0.450 1 505 45 45 GLU CG C 36.264 0.450 1 506 45 45 GLU N N 119.892 0.450 1 507 46 46 LYS H H 7.785 0.030 1 508 46 46 LYS HA H 3.982 0.030 1 509 46 46 LYS HB2 H 1.939 0.030 2 510 46 46 LYS HB3 H 1.826 0.030 2 511 46 46 LYS HG2 H 1.678 0.030 1 512 46 46 LYS HG3 H 1.678 0.030 1 513 46 46 LYS HD2 H 1.656 0.030 1 514 46 46 LYS HD3 H 1.656 0.030 1 515 46 46 LYS HE2 H 2.946 0.030 1 516 46 46 LYS HE3 H 2.946 0.030 1 517 46 46 LYS C C 178.837 0.450 1 518 46 46 LYS CA C 59.741 0.450 1 519 46 46 LYS CB C 32.443 0.450 1 520 46 46 LYS CG C 25.563 0.450 1 521 46 46 LYS CD C 29.249 0.450 1 522 46 46 LYS CE C 41.902 0.450 1 523 46 46 LYS N N 118.064 0.450 1 524 47 47 ALA H H 8.123 0.030 1 525 47 47 ALA HA H 4.031 0.030 1 526 47 47 ALA HB H 1.519 0.030 1 527 47 47 ALA C C 179.859 0.450 1 528 47 47 ALA CA C 55.295 0.450 1 529 47 47 ALA CB C 17.656 0.450 1 530 47 47 ALA N N 121.817 0.450 1 531 48 48 ARG H H 8.768 0.030 1 532 48 48 ARG HA H 4.089 0.030 1 533 48 48 ARG HB2 H 2.131 0.030 2 534 48 48 ARG HB3 H 1.938 0.030 2 535 48 48 ARG HG2 H 1.851 0.030 2 536 48 48 ARG HG3 H 1.702 0.030 2 537 48 48 ARG HD2 H 3.151 0.030 1 538 48 48 ARG HD3 H 3.151 0.030 1 539 48 48 ARG C C 180.155 0.450 1 540 48 48 ARG CA C 59.197 0.450 1 541 48 48 ARG CB C 29.510 0.450 1 542 48 48 ARG CG C 26.311 0.450 1 543 48 48 ARG CD C 42.694 0.450 1 544 48 48 ARG N N 119.080 0.450 1 545 49 49 LYS H H 8.037 0.030 1 546 49 49 LYS HA H 4.039 0.030 1 547 49 49 LYS HB2 H 1.966 0.030 1 548 49 49 LYS HB3 H 1.966 0.030 1 549 49 49 LYS HG2 H 1.493 0.030 1 550 49 49 LYS HG3 H 1.493 0.030 1 551 49 49 LYS HD2 H 1.662 0.030 1 552 49 49 LYS HD3 H 1.662 0.030 1 553 49 49 LYS HE2 H 2.940 0.030 1 554 49 49 LYS HE3 H 2.940 0.030 1 555 49 49 LYS C C 178.288 0.450 1 556 49 49 LYS CA C 58.837 0.450 1 557 49 49 LYS CB C 32.143 0.450 1 558 49 49 LYS CG C 25.339 0.450 1 559 49 49 LYS CD C 29.276 0.450 1 560 49 49 LYS CE C 41.754 0.450 1 561 49 49 LYS N N 119.951 0.450 1 562 50 50 GLN H H 7.740 0.030 1 563 50 50 GLN HA H 4.342 0.030 1 564 50 50 GLN HB2 H 2.205 0.030 2 565 50 50 GLN HB3 H 2.062 0.030 2 566 50 50 GLN HG2 H 2.608 0.030 2 567 50 50 GLN HG3 H 2.441 0.030 2 568 50 50 GLN HE21 H 6.861 0.030 2 569 50 50 GLN HE22 H 7.451 0.030 2 570 50 50 GLN C C 176.180 0.450 1 571 50 50 GLN CA C 55.741 0.450 1 572 50 50 GLN CB C 29.565 0.450 1 573 50 50 GLN CG C 34.086 0.450 1 574 50 50 GLN N N 115.284 0.450 1 575 50 50 GLN NE2 N 110.678 0.450 1 576 51 51 GLY H H 8.027 0.030 1 577 51 51 GLY HA2 H 3.973 0.030 1 578 51 51 GLY HA3 H 3.973 0.030 1 579 51 51 GLY C C 174.552 0.450 1 580 51 51 GLY CA C 46.363 0.450 1 581 51 51 GLY N N 109.725 0.450 1 582 52 52 ARG H H 7.969 0.030 1 583 52 52 ARG HA H 4.897 0.030 1 584 52 52 ARG HB2 H 2.061 0.030 2 585 52 52 ARG HB3 H 1.509 0.030 2 586 52 52 ARG HG2 H 1.683 0.030 1 587 52 52 ARG HG3 H 1.683 0.030 1 588 52 52 ARG HD2 H 3.199 0.030 2 589 52 52 ARG HD3 H 3.126 0.030 2 590 52 52 ARG C C 173.123 0.450 1 591 52 52 ARG CA C 52.247 0.450 1 592 52 52 ARG CB C 32.366 0.450 1 593 52 52 ARG CG C 25.895 0.450 1 594 52 52 ARG CD C 43.573 0.450 1 595 52 52 ARG N N 119.064 0.450 1 596 53 53 PRO HA H 4.855 0.030 1 597 53 53 PRO HB2 H 1.650 0.030 1 598 53 53 PRO HB3 H 2.231 0.030 1 599 53 53 PRO HG2 H 2.033 0.030 2 600 53 53 PRO HG3 H 1.976 0.030 2 601 53 53 PRO HD2 H 3.901 0.030 2 602 53 53 PRO HD3 H 3.558 0.030 2 603 53 53 PRO C C 174.069 0.450 1 604 53 53 PRO CA C 61.818 0.450 1 605 53 53 PRO CB C 32.060 0.450 1 606 53 53 PRO CG C 27.230 0.450 1 607 53 53 PRO CD C 50.316 0.450 1 608 54 54 ILE H H 7.920 0.030 1 609 54 54 ILE HA H 5.238 0.030 1 610 54 54 ILE HB H 1.464 0.030 1 611 54 54 ILE HG12 H 1.356 0.030 2 612 54 54 ILE HG13 H 0.758 0.030 2 613 54 54 ILE HG2 H 0.984 0.030 1 614 54 54 ILE HD1 H 0.691 0.030 1 615 54 54 ILE C C 171.709 0.450 1 616 54 54 ILE CA C 57.774 0.450 1 617 54 54 ILE CB C 41.558 0.450 1 618 54 54 ILE CG1 C 28.434 0.450 1 619 54 54 ILE CG2 C 16.453 0.450 1 620 54 54 ILE CD1 C 15.030 0.450 1 621 54 54 ILE N N 116.301 0.450 1 622 55 55 VAL H H 8.652 0.030 1 623 55 55 VAL HA H 4.924 0.030 1 624 55 55 VAL HB H 1.863 0.030 1 625 55 55 VAL HG1 H 0.278 0.030 2 626 55 55 VAL HG2 H 0.709 0.030 2 627 55 55 VAL C C 173.624 0.450 1 628 55 55 VAL CA C 59.795 0.450 1 629 55 55 VAL CB C 32.828 0.450 1 630 55 55 VAL CG1 C 23.304 0.450 1 631 55 55 VAL CG2 C 20.619 0.450 1 632 55 55 VAL N N 126.302 0.450 1 633 56 56 ILE H H 9.124 0.030 1 634 56 56 ILE HA H 4.664 0.030 1 635 56 56 ILE HB H 1.685 0.030 1 636 56 56 ILE HG12 H 1.360 0.030 2 637 56 56 ILE HG13 H 0.991 0.030 2 638 56 56 ILE HG2 H 0.879 0.030 1 639 56 56 ILE HD1 H 0.686 0.030 1 640 56 56 ILE C C 173.479 0.450 1 641 56 56 ILE CA C 59.007 0.450 1 642 56 56 ILE CB C 40.285 0.450 1 643 56 56 ILE CG1 C 27.658 0.450 1 644 56 56 ILE CG2 C 18.456 0.450 1 645 56 56 ILE CD1 C 15.023 0.450 1 646 56 56 ILE N N 127.503 0.450 1 647 57 57 PHE H H 8.971 0.030 1 648 57 57 PHE HA H 5.216 0.030 1 649 57 57 PHE HB2 H 2.996 0.030 1 650 57 57 PHE HB3 H 2.834 0.030 1 651 57 57 PHE HD1 H 7.159 0.030 1 652 57 57 PHE HD2 H 7.159 0.030 1 653 57 57 PHE HE1 H 6.999 0.030 1 654 57 57 PHE HE2 H 6.999 0.030 1 655 57 57 PHE HZ H 6.931 0.030 1 656 57 57 PHE C C 174.536 0.450 1 657 57 57 PHE CA C 56.961 0.450 1 658 57 57 PHE CB C 40.429 0.450 1 659 57 57 PHE CD1 C 131.865 0.450 1 660 57 57 PHE CD2 C 131.865 0.450 1 661 57 57 PHE CE1 C 130.095 0.450 1 662 57 57 PHE CE2 C 130.095 0.450 1 663 57 57 PHE CZ C 128.542 0.450 1 664 57 57 PHE N N 125.302 0.450 1 665 58 58 ILE H H 9.248 0.030 1 666 58 58 ILE HA H 4.515 0.030 1 667 58 58 ILE HB H 1.653 0.030 1 668 58 58 ILE HG12 H 1.314 0.030 1 669 58 58 ILE HG13 H 1.314 0.030 1 670 58 58 ILE HG2 H 0.893 0.030 1 671 58 58 ILE HD1 H 0.711 0.030 1 672 58 58 ILE C C 173.391 0.450 1 673 58 58 ILE CA C 59.090 0.450 1 674 58 58 ILE CB C 41.742 0.450 1 675 58 58 ILE CG1 C 27.441 0.450 1 676 58 58 ILE CG2 C 16.371 0.450 1 677 58 58 ILE CD1 C 12.923 0.450 1 678 58 58 ILE N N 126.472 0.450 1 679 59 59 ARG H H 8.587 0.030 1 680 59 59 ARG HA H 4.929 0.030 1 681 59 59 ARG HB2 H 2.070 0.030 2 682 59 59 ARG HB3 H 1.974 0.030 2 683 59 59 ARG HG2 H 1.935 0.030 2 684 59 59 ARG HG3 H 1.752 0.030 2 685 59 59 ARG HD2 H 2.921 0.030 1 686 59 59 ARG HD3 H 2.921 0.030 1 687 59 59 ARG C C 178.521 0.450 1 688 59 59 ARG CA C 55.742 0.450 1 689 59 59 ARG CB C 30.918 0.450 1 690 59 59 ARG CG C 28.093 0.450 1 691 59 59 ARG CD C 41.363 0.450 1 692 59 59 ARG N N 124.681 0.450 1 693 60 60 GLY H H 7.732 0.030 1 694 60 60 GLY HA2 H 3.907 0.030 2 695 60 60 GLY HA3 H 3.616 0.030 2 696 60 60 GLY C C 174.775 0.450 1 697 60 60 GLY CA C 46.967 0.450 1 698 60 60 GLY N N 108.848 0.450 1 699 61 61 ALA H H 7.852 0.030 1 700 61 61 ALA HA H 4.144 0.030 1 701 61 61 ALA HB H 1.150 0.030 1 702 61 61 ALA C C 177.769 0.450 1 703 61 61 ALA CA C 53.449 0.450 1 704 61 61 ALA CB C 18.371 0.450 1 705 61 61 ALA N N 120.877 0.450 1 706 62 62 TYR HA H 4.800 0.030 1 707 62 62 TYR HB2 H 2.851 0.030 1 708 62 62 TYR HB3 H 3.425 0.030 1 709 62 62 TYR HD1 H 7.137 0.030 1 710 62 62 TYR HD2 H 7.137 0.030 1 711 62 62 TYR HE1 H 6.803 0.030 1 712 62 62 TYR HE2 H 6.803 0.030 1 713 62 62 TYR CA C 63.039 0.450 1 714 62 62 TYR CB C 37.440 0.450 1 715 62 62 TYR CD1 C 133.107 0.450 1 716 62 62 TYR CD2 C 133.107 0.450 1 717 62 62 TYR CE1 C 117.948 0.450 1 718 62 62 TYR CE2 C 117.948 0.450 1 719 63 63 GLU HA H 3.685 0.030 1 720 63 63 GLU HB2 H 1.831 0.030 1 721 63 63 GLU HB3 H 1.831 0.030 1 722 63 63 GLU HG2 H 2.283 0.030 2 723 63 63 GLU HG3 H 2.027 0.030 2 724 63 63 GLU C C 176.251 0.450 1 725 63 63 GLU CA C 59.258 0.450 1 726 63 63 GLU CB C 29.412 0.450 1 727 63 63 GLU CG C 35.350 0.450 1 728 64 64 GLU H H 8.878 0.030 1 729 64 64 GLU HA H 3.901 0.030 1 730 64 64 GLU HB2 H 2.035 0.030 1 731 64 64 GLU HB3 H 2.035 0.030 1 732 64 64 GLU HG2 H 2.267 0.030 1 733 64 64 GLU HG3 H 2.267 0.030 1 734 64 64 GLU C C 178.251 0.450 1 735 64 64 GLU CA C 59.212 0.450 1 736 64 64 GLU CB C 28.645 0.450 1 737 64 64 GLU CG C 36.099 0.450 1 738 64 64 GLU N N 119.209 0.450 1 739 65 65 VAL H H 7.652 0.030 1 740 65 65 VAL HA H 3.982 0.030 1 741 65 65 VAL HB H 2.380 0.030 1 742 65 65 VAL HG1 H 1.028 0.030 2 743 65 65 VAL HG2 H 1.164 0.030 2 744 65 65 VAL C C 176.915 0.450 1 745 65 65 VAL CA C 64.609 0.450 1 746 65 65 VAL CB C 31.895 0.450 1 747 65 65 VAL CG1 C 20.820 0.450 1 748 65 65 VAL CG2 C 21.319 0.450 1 749 65 65 VAL N N 116.728 0.450 1 750 66 66 VAL H H 7.896 0.030 1 751 66 66 VAL HA H 3.314 0.030 1 752 66 66 VAL HB H 2.263 0.030 1 753 66 66 VAL HG1 H 0.948 0.030 2 754 66 66 VAL HG2 H 1.131 0.030 2 755 66 66 VAL C C 177.142 0.450 1 756 66 66 VAL CA C 67.335 0.450 1 757 66 66 VAL CB C 31.430 0.450 1 758 66 66 VAL CG1 C 21.355 0.450 1 759 66 66 VAL CG2 C 23.678 0.450 1 760 66 66 VAL N N 119.462 0.450 1 761 67 67 ARG HA H 3.628 0.030 1 762 67 67 ARG HB2 H 1.730 0.030 2 763 67 67 ARG HB3 H 1.456 0.030 2 764 67 67 ARG HG2 H 1.385 0.030 2 765 67 67 ARG HG3 H 1.312 0.030 2 766 67 67 ARG HD2 H 3.019 0.030 1 767 67 67 ARG HD3 H 3.019 0.030 1 768 67 67 ARG C C 177.841 0.450 1 769 67 67 ARG CA C 60.052 0.450 1 770 67 67 ARG CB C 29.393 0.450 1 771 67 67 ARG CG C 26.946 0.450 1 772 67 67 ARG CD C 43.065 0.450 1 773 68 68 ASP H H 7.625 0.030 1 774 68 68 ASP HA H 4.361 0.030 1 775 68 68 ASP HB2 H 2.749 0.030 2 776 68 68 ASP HB3 H 2.590 0.030 2 777 68 68 ASP C C 178.945 0.450 1 778 68 68 ASP CA C 57.311 0.450 1 779 68 68 ASP CB C 41.514 0.450 1 780 68 68 ASP N N 118.316 0.450 1 781 69 69 ILE H H 8.113 0.030 1 782 69 69 ILE HA H 3.630 0.030 1 783 69 69 ILE HB H 1.930 0.030 1 784 69 69 ILE HG12 H 1.701 0.030 2 785 69 69 ILE HG13 H 1.207 0.030 2 786 69 69 ILE HG2 H 0.800 0.030 1 787 69 69 ILE HD1 H 0.749 0.030 1 788 69 69 ILE C C 177.138 0.450 1 789 69 69 ILE CA C 64.540 0.450 1 790 69 69 ILE CB C 37.050 0.450 1 791 69 69 ILE CG1 C 27.685 0.450 1 792 69 69 ILE CG2 C 18.163 0.450 1 793 69 69 ILE CD1 C 13.498 0.450 1 794 69 69 ILE N N 119.231 0.450 1 795 70 70 VAL H H 8.478 0.030 1 796 70 70 VAL HA H 3.417 0.030 1 797 70 70 VAL HB H 2.186 0.030 1 798 70 70 VAL HG1 H 0.869 0.030 2 799 70 70 VAL HG2 H 0.935 0.030 2 800 70 70 VAL C C 177.079 0.450 1 801 70 70 VAL CA C 67.274 0.450 1 802 70 70 VAL CB C 31.258 0.450 1 803 70 70 VAL CG1 C 21.902 0.450 1 804 70 70 VAL CG2 C 23.366 0.450 1 805 70 70 VAL N N 120.164 0.450 1 806 71 71 GLU H H 8.152 0.030 1 807 71 71 GLU HA H 4.054 0.030 1 808 71 71 GLU HB2 H 2.072 0.030 2 809 71 71 GLU HB3 H 2.005 0.030 2 810 71 71 GLU HG2 H 2.442 0.030 1 811 71 71 GLU HG3 H 2.442 0.030 1 812 71 71 GLU C C 179.009 0.450 1 813 71 71 GLU CA C 59.416 0.450 1 814 71 71 GLU CB C 28.822 0.450 1 815 71 71 GLU CG C 36.266 0.450 1 816 71 71 GLU N N 118.293 0.450 1 817 72 72 TYR H H 7.959 0.030 1 818 72 72 TYR HA H 4.162 0.030 1 819 72 72 TYR HB2 H 3.215 0.030 2 820 72 72 TYR HB3 H 3.086 0.030 2 821 72 72 TYR HD1 H 6.993 0.030 1 822 72 72 TYR HD2 H 6.993 0.030 1 823 72 72 TYR HE1 H 6.732 0.030 1 824 72 72 TYR HE2 H 6.732 0.030 1 825 72 72 TYR C C 176.404 0.450 1 826 72 72 TYR CA C 61.132 0.450 1 827 72 72 TYR CB C 38.137 0.450 1 828 72 72 TYR CD1 C 132.305 0.450 1 829 72 72 TYR CD2 C 132.305 0.450 1 830 72 72 TYR CE1 C 118.575 0.450 1 831 72 72 TYR CE2 C 118.575 0.450 1 832 72 72 TYR N N 120.091 0.450 1 833 73 73 ALA H H 8.604 0.030 1 834 73 73 ALA HA H 3.630 0.030 1 835 73 73 ALA HB H 1.366 0.030 1 836 73 73 ALA C C 179.182 0.450 1 837 73 73 ALA CA C 55.112 0.450 1 838 73 73 ALA CB C 18.191 0.450 1 839 73 73 ALA N N 120.133 0.450 1 840 74 74 GLN H H 8.619 0.030 1 841 74 74 GLN HA H 4.138 0.030 1 842 74 74 GLN HB2 H 2.262 0.030 2 843 74 74 GLN HB3 H 1.981 0.030 2 844 74 74 GLN HG2 H 2.654 0.030 2 845 74 74 GLN HG3 H 2.267 0.030 2 846 74 74 GLN HE21 H 6.631 0.030 2 847 74 74 GLN HE22 H 7.253 0.030 2 848 74 74 GLN C C 180.595 0.450 1 849 74 74 GLN CA C 59.095 0.450 1 850 74 74 GLN CB C 28.575 0.450 1 851 74 74 GLN CG C 34.833 0.450 1 852 74 74 GLN N N 115.553 0.450 1 853 74 74 GLN NE2 N 110.126 0.450 1 854 75 75 LYS H H 8.123 0.030 1 855 75 75 LYS HA H 4.028 0.030 1 856 75 75 LYS HB2 H 1.948 0.030 1 857 75 75 LYS HB3 H 1.948 0.030 1 858 75 75 LYS HG2 H 1.475 0.030 1 859 75 75 LYS HG3 H 1.475 0.030 1 860 75 75 LYS HD2 H 1.664 0.030 1 861 75 75 LYS HD3 H 1.664 0.030 1 862 75 75 LYS HE2 H 2.985 0.030 1 863 75 75 LYS HE3 H 2.985 0.030 1 864 75 75 LYS C C 178.521 0.450 1 865 75 75 LYS CA C 59.058 0.450 1 866 75 75 LYS CB C 31.599 0.450 1 867 75 75 LYS CG C 25.003 0.450 1 868 75 75 LYS CD C 29.206 0.450 1 869 75 75 LYS CE C 41.850 0.450 1 870 75 75 LYS N N 122.396 0.450 1 871 76 76 GLU H H 7.450 0.030 1 872 76 76 GLU HA H 4.099 0.030 1 873 76 76 GLU HB2 H 2.103 0.030 2 874 76 76 GLU HB3 H 1.549 0.030 2 875 76 76 GLU HG2 H 1.734 0.030 2 876 76 76 GLU HG3 H 1.617 0.030 2 877 76 76 GLU C C 175.957 0.450 1 878 76 76 GLU CA C 55.605 0.450 1 879 76 76 GLU CB C 29.824 0.450 1 880 76 76 GLU CG C 35.377 0.450 1 881 76 76 GLU N N 116.294 0.450 1 882 77 77 GLY H H 7.763 0.030 1 883 77 77 GLY HA2 H 4.018 0.030 2 884 77 77 GLY HA3 H 3.765 0.030 2 885 77 77 GLY C C 174.520 0.450 1 886 77 77 GLY CA C 45.807 0.450 1 887 77 77 GLY N N 107.446 0.450 1 888 78 78 LEU H H 7.930 0.030 1 889 78 78 LEU HA H 4.388 0.030 1 890 78 78 LEU HB2 H 1.446 0.030 2 891 78 78 LEU HB3 H 1.258 0.030 2 892 78 78 LEU HG H 1.457 0.030 1 893 78 78 LEU HD1 H 0.702 0.030 2 894 78 78 LEU HD2 H 0.681 0.030 2 895 78 78 LEU C C 175.914 0.450 1 896 78 78 LEU CA C 53.472 0.450 1 897 78 78 LEU CB C 41.889 0.450 1 898 78 78 LEU CG C 26.772 0.450 1 899 78 78 LEU CD1 C 25.708 0.450 1 900 78 78 LEU CD2 C 22.569 0.450 1 901 78 78 LEU N N 120.179 0.450 1 902 79 79 ARG H H 8.241 0.030 1 903 79 79 ARG HA H 4.397 0.030 1 904 79 79 ARG HB2 H 1.856 0.030 1 905 79 79 ARG HB3 H 1.856 0.030 1 906 79 79 ARG HG2 H 1.716 0.030 2 907 79 79 ARG HG3 H 1.525 0.030 2 908 79 79 ARG HD2 H 3.160 0.030 1 909 79 79 ARG HD3 H 3.160 0.030 1 910 79 79 ARG C C 174.960 0.450 1 911 79 79 ARG CA C 55.648 0.450 1 912 79 79 ARG CB C 30.476 0.450 1 913 79 79 ARG CG C 27.381 0.450 1 914 79 79 ARG CD C 43.230 0.450 1 915 79 79 ARG N N 122.207 0.450 1 916 80 80 VAL H H 8.359 0.030 1 917 80 80 VAL HA H 5.295 0.030 1 918 80 80 VAL HB H 1.850 0.030 1 919 80 80 VAL HG1 H 0.860 0.030 1 920 80 80 VAL HG2 H 0.860 0.030 1 921 80 80 VAL C C 174.048 0.450 1 922 80 80 VAL CA C 60.041 0.450 1 923 80 80 VAL CB C 34.305 0.450 1 924 80 80 VAL CG1 C 21.879 0.450 1 925 80 80 VAL CG2 C 21.879 0.450 1 926 80 80 VAL N N 123.333 0.450 1 927 81 81 LEU H H 8.650 0.030 1 928 81 81 LEU HA H 5.104 0.030 1 929 81 81 LEU HB2 H 1.665 0.030 2 930 81 81 LEU HB3 H 1.519 0.030 2 931 81 81 LEU HG H 1.577 0.030 1 932 81 81 LEU HD1 H 0.811 0.030 2 933 81 81 LEU HD2 H 0.850 0.030 2 934 81 81 LEU C C 174.484 0.450 1 935 81 81 LEU CA C 54.120 0.450 1 936 81 81 LEU CB C 44.955 0.450 1 937 81 81 LEU CG C 28.103 0.450 1 938 81 81 LEU CD1 C 25.393 0.450 1 939 81 81 LEU CD2 C 26.170 0.450 1 940 81 81 LEU N N 128.719 0.450 1 941 82 82 VAL H H 8.781 0.030 1 942 82 82 VAL HA H 5.097 0.030 1 943 82 82 VAL HB H 1.984 0.030 1 944 82 82 VAL HG1 H 0.912 0.030 2 945 82 82 VAL HG2 H 0.768 0.030 2 946 82 82 VAL C C 174.525 0.450 1 947 82 82 VAL CA C 60.285 0.450 1 948 82 82 VAL CB C 34.789 0.450 1 949 82 82 VAL CG1 C 20.888 0.450 1 950 82 82 VAL CG2 C 21.272 0.450 1 951 82 82 VAL N N 122.487 0.450 1 952 83 83 ILE H H 9.527 0.030 1 953 83 83 ILE HA H 4.930 0.030 1 954 83 83 ILE HB H 1.666 0.030 1 955 83 83 ILE HG12 H 1.397 0.030 2 956 83 83 ILE HG13 H 0.808 0.030 2 957 83 83 ILE HG2 H 0.700 0.030 1 958 83 83 ILE HD1 H 0.662 0.030 1 959 83 83 ILE C C 172.925 0.450 1 960 83 83 ILE CA C 59.941 0.450 1 961 83 83 ILE CB C 40.186 0.450 1 962 83 83 ILE CG1 C 27.446 0.450 1 963 83 83 ILE CG2 C 16.138 0.450 1 964 83 83 ILE CD1 C 13.548 0.450 1 965 83 83 ILE N N 128.082 0.450 1 966 84 84 LYS H H 8.721 0.030 1 967 84 84 LYS HA H 5.048 0.030 1 968 84 84 LYS HB2 H 1.497 0.030 2 969 84 84 LYS HB3 H 1.044 0.030 2 970 84 84 LYS HG2 H 0.909 0.030 2 971 84 84 LYS HG3 H 0.616 0.030 2 972 84 84 LYS HE2 H 2.700 0.030 2 973 84 84 LYS HE3 H 2.468 0.030 2 974 84 84 LYS C C 174.027 0.450 1 975 84 84 LYS CA C 53.253 0.450 1 976 84 84 LYS CB C 34.652 0.450 1 977 84 84 LYS CG C 25.784 0.450 1 978 84 84 LYS CE C 42.537 0.450 1 979 84 84 LYS N N 128.493 0.450 1 980 85 85 VAL H H 8.643 0.030 1 981 85 85 VAL HA H 4.736 0.030 1 982 85 85 VAL HB H 2.030 0.030 1 983 85 85 VAL HG1 H 0.775 0.030 2 984 85 85 VAL HG2 H 0.687 0.030 2 985 85 85 VAL C C 175.935 0.450 1 986 85 85 VAL CA C 60.200 0.450 1 987 85 85 VAL CB C 30.847 0.450 1 988 85 85 VAL CG1 C 21.006 0.450 1 989 85 85 VAL CG2 C 20.421 0.450 1 990 85 85 VAL N N 126.729 0.450 1 991 86 86 ALA H H 8.835 0.030 1 992 86 86 ALA HA H 4.430 0.030 1 993 86 86 ALA HB H 1.247 0.030 1 994 86 86 ALA C C 175.635 0.450 1 995 86 86 ALA CA C 51.504 0.450 1 996 86 86 ALA CB C 20.821 0.450 1 997 86 86 ALA N N 132.930 0.450 1 998 87 87 GLN H H 8.570 0.030 1 999 87 87 GLN HA H 4.469 0.030 1 1000 87 87 GLN HB2 H 2.172 0.030 2 1001 87 87 GLN HB3 H 1.995 0.030 2 1002 87 87 GLN HG2 H 2.412 0.030 1 1003 87 87 GLN HG3 H 2.412 0.030 1 1004 87 87 GLN HE21 H 6.967 0.030 2 1005 87 87 GLN HE22 H 7.686 0.030 2 1006 87 87 GLN C C 175.949 0.450 1 1007 87 87 GLN CA C 55.260 0.450 1 1008 87 87 GLN CB C 30.432 0.450 1 1009 87 87 GLN CG C 34.425 0.450 1 1010 87 87 GLN N N 118.719 0.450 1 1011 87 87 GLN NE2 N 112.643 0.450 1 1012 88 88 ASP HA H 4.480 0.030 1 1013 88 88 ASP HB2 H 2.709 0.030 1 1014 88 88 ASP HB3 H 2.709 0.030 1 1015 88 88 ASP CA C 55.454 0.450 1 1016 88 88 ASP CB C 41.204 0.450 1 1017 89 89 GLN HA H 4.047 0.030 1 1018 89 89 GLN HB2 H 2.220 0.030 2 1019 89 89 GLN HB3 H 2.121 0.030 2 1020 89 89 GLN HG2 H 2.344 0.030 2 1021 89 89 GLN HG3 H 2.300 0.030 2 1022 89 89 GLN HE21 H 6.816 0.030 2 1023 89 89 GLN HE22 H 7.639 0.030 2 1024 89 89 GLN CA C 56.687 0.450 1 1025 89 89 GLN CB C 27.850 0.450 1 1026 89 89 GLN CG C 33.930 0.450 1 1027 89 89 GLN NE2 N 112.700 0.450 1 1028 92 92 LEU H H 8.277 0.030 1 1029 92 92 LEU HA H 4.201 0.030 1 1030 92 92 LEU HB2 H 1.539 0.030 1 1031 92 92 LEU HB3 H 1.539 0.030 1 1032 92 92 LEU HG H 1.636 0.030 1 1033 92 92 LEU HD1 H 0.707 0.030 2 1034 92 92 LEU HD2 H 0.729 0.030 2 1035 92 92 LEU CA C 55.057 0.450 1 1036 92 92 LEU CB C 42.046 0.450 1 1037 92 92 LEU CG C 26.476 0.450 1 1038 92 92 LEU CD1 C 24.324 0.450 1 1039 92 92 LEU CD2 C 24.972 0.450 1 1040 92 92 LEU N N 125.291 0.450 1 1041 93 93 GLU HB2 H 2.138 0.030 2 1042 93 93 GLU HB3 H 1.824 0.030 2 1043 93 93 GLU HG2 H 2.478 0.030 1 1044 93 93 GLU HG3 H 2.478 0.030 1 1045 93 93 GLU CB C 29.756 0.450 1 1046 93 93 GLU CG C 36.226 0.450 1 1047 94 94 ARG HA H 4.049 0.030 1 1048 94 94 ARG HB2 H 1.942 0.030 1 1049 94 94 ARG HB3 H 1.942 0.030 1 1050 94 94 ARG HG2 H 1.784 0.030 1 1051 94 94 ARG HG3 H 1.784 0.030 1 1052 94 94 ARG HD2 H 3.249 0.030 1 1053 94 94 ARG HD3 H 3.249 0.030 1 1054 94 94 ARG C C 178.544 0.450 1 1055 94 94 ARG CA C 58.607 0.450 1 1056 94 94 ARG CB C 29.614 0.450 1 1057 94 94 ARG CG C 27.052 0.450 1 1058 94 94 ARG CD C 43.132 0.450 1 1059 95 95 PHE H H 8.419 0.030 1 1060 95 95 PHE HA H 4.375 0.030 1 1061 95 95 PHE HB2 H 3.184 0.030 1 1062 95 95 PHE HB3 H 2.778 0.030 1 1063 95 95 PHE HD1 H 6.714 0.030 1 1064 95 95 PHE HD2 H 6.714 0.030 1 1065 95 95 PHE HE1 H 6.775 0.030 1 1066 95 95 PHE HE2 H 6.775 0.030 1 1067 95 95 PHE HZ H 6.916 0.030 1 1068 95 95 PHE CA C 60.231 0.450 1 1069 95 95 PHE CB C 37.942 0.450 1 1070 95 95 PHE CD1 C 131.643 0.450 1 1071 95 95 PHE CD2 C 131.643 0.450 1 1072 95 95 PHE CE1 C 130.214 0.450 1 1073 95 95 PHE CE2 C 130.214 0.450 1 1074 95 95 PHE CZ C 129.599 0.450 1 1075 95 95 PHE N N 117.407 0.450 1 1076 96 96 TYR HA H 3.808 0.030 1 1077 96 96 TYR HB2 H 2.867 0.030 2 1078 96 96 TYR HB3 H 2.792 0.030 2 1079 96 96 TYR HD1 H 6.945 0.030 1 1080 96 96 TYR HD2 H 6.945 0.030 1 1081 96 96 TYR HE1 H 6.630 0.030 1 1082 96 96 TYR HE2 H 6.630 0.030 1 1083 96 96 TYR C C 177.728 0.450 1 1084 96 96 TYR CA C 63.156 0.450 1 1085 96 96 TYR CB C 37.700 0.450 1 1086 96 96 TYR CD1 C 132.317 0.450 1 1087 96 96 TYR CD2 C 132.317 0.450 1 1088 96 96 TYR CE1 C 117.855 0.450 1 1089 96 96 TYR CE2 C 117.855 0.450 1 1090 97 97 GLU H H 7.858 0.030 1 1091 97 97 GLU HA H 4.063 0.030 1 1092 97 97 GLU HB2 H 2.084 0.030 1 1093 97 97 GLU HB3 H 2.084 0.030 1 1094 97 97 GLU HG2 H 2.412 0.030 1 1095 97 97 GLU HG3 H 2.412 0.030 1 1096 97 97 GLU C C 179.071 0.450 1 1097 97 97 GLU CA C 58.760 0.450 1 1098 97 97 GLU CB C 29.172 0.450 1 1099 97 97 GLU CG C 35.593 0.450 1 1100 97 97 GLU N N 119.054 0.450 1 1101 98 98 GLN H H 7.747 0.030 1 1102 98 98 GLN HA H 3.901 0.030 1 1103 98 98 GLN HB2 H 2.138 0.030 1 1104 98 98 GLN HB3 H 2.138 0.030 1 1105 98 98 GLN HG2 H 2.359 0.030 1 1106 98 98 GLN HG3 H 2.359 0.030 1 1107 98 98 GLN HE21 H 6.857 0.030 2 1108 98 98 GLN HE22 H 7.764 0.030 2 1109 98 98 GLN C C 177.599 0.450 1 1110 98 98 GLN CA C 58.311 0.450 1 1111 98 98 GLN CB C 27.766 0.450 1 1112 98 98 GLN CG C 33.437 0.450 1 1113 98 98 GLN N N 119.385 0.450 1 1114 98 98 GLN NE2 N 114.449 0.450 1 1115 99 99 LEU H H 7.891 0.030 1 1116 99 99 LEU HA H 4.019 0.030 1 1117 99 99 LEU HB2 H 1.848 0.030 2 1118 99 99 LEU HB3 H 1.088 0.030 2 1119 99 99 LEU HD1 H 0.750 0.030 2 1120 99 99 LEU HD2 H 0.631 0.030 2 1121 99 99 LEU C C 178.669 0.450 1 1122 99 99 LEU CA C 57.430 0.450 1 1123 99 99 LEU CB C 41.503 0.450 1 1124 99 99 LEU CD1 C 23.256 0.450 1 1125 99 99 LEU CD2 C 25.972 0.450 1 1126 99 99 LEU N N 118.348 0.450 1 1127 100 100 LYS H H 7.560 0.030 1 1128 100 100 LYS HA H 4.509 0.030 1 1129 100 100 LYS HB2 H 1.977 0.030 2 1130 100 100 LYS HB3 H 1.819 0.030 2 1131 100 100 LYS HG2 H 1.650 0.030 2 1132 100 100 LYS HG3 H 1.524 0.030 2 1133 100 100 LYS HD2 H 1.754 0.030 1 1134 100 100 LYS HD3 H 1.754 0.030 1 1135 100 100 LYS HE2 H 2.983 0.030 1 1136 100 100 LYS HE3 H 2.983 0.030 1 1137 100 100 LYS C C 180.846 0.450 1 1138 100 100 LYS CA C 59.088 0.450 1 1139 100 100 LYS CB C 32.269 0.450 1 1140 100 100 LYS CG C 25.026 0.450 1 1141 100 100 LYS CD C 29.531 0.450 1 1142 100 100 LYS CE C 41.635 0.450 1 1143 100 100 LYS N N 118.332 0.450 1 1144 101 101 LYS H H 7.959 0.030 1 1145 101 101 LYS HA H 4.072 0.030 1 1146 101 101 LYS HB2 H 1.920 0.030 1 1147 101 101 LYS HB3 H 1.920 0.030 1 1148 101 101 LYS HG2 H 1.566 0.030 1 1149 101 101 LYS HG3 H 1.566 0.030 1 1150 101 101 LYS HD2 H 1.665 0.030 1 1151 101 101 LYS HD3 H 1.665 0.030 1 1152 101 101 LYS HE2 H 2.941 0.030 1 1153 101 101 LYS HE3 H 2.941 0.030 1 1154 101 101 LYS C C 177.707 0.450 1 1155 101 101 LYS CA C 58.871 0.450 1 1156 101 101 LYS CB C 32.095 0.450 1 1157 101 101 LYS CG C 25.078 0.450 1 1158 101 101 LYS CD C 29.159 0.450 1 1159 101 101 LYS CE C 41.809 0.450 1 1160 101 101 LYS N N 121.944 0.450 1 1161 102 102 ASP H H 7.893 0.030 1 1162 102 102 ASP HA H 4.694 0.030 1 1163 102 102 ASP HB2 H 2.757 0.030 1 1164 102 102 ASP HB3 H 2.930 0.030 1 1165 102 102 ASP C C 176.359 0.450 1 1166 102 102 ASP CA C 54.579 0.450 1 1167 102 102 ASP CB C 40.574 0.450 1 1168 102 102 ASP N N 118.788 0.450 1 1169 103 103 GLY H H 7.866 0.030 1 1170 103 103 GLY HA2 H 4.268 0.030 2 1171 103 103 GLY HA3 H 3.721 0.030 2 1172 103 103 GLY C C 174.328 0.450 1 1173 103 103 GLY CA C 45.345 0.450 1 1174 103 103 GLY N N 107.024 0.450 1 1175 104 104 VAL H H 7.955 0.030 1 1176 104 104 VAL HA H 3.973 0.030 1 1177 104 104 VAL HB H 1.687 0.030 1 1178 104 104 VAL HG1 H 0.744 0.030 2 1179 104 104 VAL HG2 H 0.822 0.030 2 1180 104 104 VAL C C 175.023 0.450 1 1181 104 104 VAL CA C 61.878 0.450 1 1182 104 104 VAL CB C 32.088 0.450 1 1183 104 104 VAL CG1 C 21.103 0.450 1 1184 104 104 VAL CG2 C 22.270 0.450 1 1185 104 104 VAL N N 123.060 0.450 1 1186 105 105 ASP H H 8.399 0.030 1 1187 105 105 ASP HA H 4.575 0.030 1 1188 105 105 ASP HB2 H 3.091 0.030 2 1189 105 105 ASP HB3 H 2.608 0.030 2 1190 105 105 ASP C C 173.624 0.450 1 1191 105 105 ASP CA C 54.087 0.450 1 1192 105 105 ASP CB C 40.660 0.450 1 1193 105 105 ASP N N 127.987 0.450 1 1194 106 106 VAL H H 7.550 0.030 1 1195 106 106 VAL HA H 4.815 0.030 1 1196 106 106 VAL HB H 1.820 0.030 1 1197 106 106 VAL HG1 H 0.805 0.030 2 1198 106 106 VAL HG2 H 0.910 0.030 2 1199 106 106 VAL C C 174.902 0.450 1 1200 106 106 VAL CA C 60.194 0.450 1 1201 106 106 VAL CB C 34.179 0.450 1 1202 106 106 VAL CG1 C 20.855 0.450 1 1203 106 106 VAL CG2 C 21.272 0.450 1 1204 106 106 VAL N N 125.798 0.450 1 1205 107 107 ARG H H 9.132 0.030 1 1206 107 107 ARG HA H 4.876 0.030 1 1207 107 107 ARG HB2 H 1.749 0.030 1 1208 107 107 ARG HB3 H 1.749 0.030 1 1209 107 107 ARG HG2 H 1.509 0.030 2 1210 107 107 ARG HG3 H 1.468 0.030 2 1211 107 107 ARG HD2 H 3.179 0.030 2 1212 107 107 ARG HD3 H 2.990 0.030 2 1213 107 107 ARG C C 173.815 0.450 1 1214 107 107 ARG CA C 53.386 0.450 1 1215 107 107 ARG CB C 31.195 0.450 1 1216 107 107 ARG CG C 26.616 0.450 1 1217 107 107 ARG CD C 42.561 0.450 1 1218 107 107 ARG N N 128.099 0.450 1 1219 108 108 VAL H H 8.561 0.030 1 1220 108 108 VAL HA H 4.942 0.030 1 1221 108 108 VAL HB H 1.889 0.030 1 1222 108 108 VAL HG1 H 0.632 0.030 2 1223 108 108 VAL HG2 H 0.686 0.030 2 1224 108 108 VAL C C 175.854 0.450 1 1225 108 108 VAL CA C 60.017 0.450 1 1226 108 108 VAL CB C 32.844 0.450 1 1227 108 108 VAL CG1 C 20.683 0.450 1 1228 108 108 VAL CG2 C 20.585 0.450 1 1229 108 108 VAL N N 123.979 0.450 1 1230 109 109 THR H H 8.803 0.030 1 1231 109 109 THR HA H 4.815 0.030 1 1232 109 109 THR HB H 4.135 0.030 1 1233 109 109 THR HG2 H 0.978 0.030 1 1234 109 109 THR C C 171.867 0.450 1 1235 109 109 THR CA C 59.613 0.450 1 1236 109 109 THR CB C 69.720 0.450 1 1237 109 109 THR CG2 C 19.644 0.450 1 1238 109 109 THR N N 120.144 0.450 1 1239 110 110 ASP H H 8.363 0.030 1 1240 110 110 ASP HA H 4.969 0.030 1 1241 110 110 ASP HB2 H 2.922 0.030 2 1242 110 110 ASP HB3 H 2.540 0.030 2 1243 110 110 ASP C C 175.739 0.450 1 1244 110 110 ASP CA C 53.243 0.450 1 1245 110 110 ASP CB C 41.351 0.450 1 1246 110 110 ASP N N 123.212 0.450 1 1247 111 111 ASN H H 8.085 0.030 1 1248 111 111 ASN HA H 4.876 0.030 1 1249 111 111 ASN HB2 H 2.980 0.030 2 1250 111 111 ASN HB3 H 2.823 0.030 2 1251 111 111 ASN HD21 H 7.148 0.030 2 1252 111 111 ASN HD22 H 7.829 0.030 2 1253 111 111 ASN C C 174.756 0.450 1 1254 111 111 ASN CA C 52.132 0.450 1 1255 111 111 ASN CB C 40.765 0.450 1 1256 111 111 ASN N N 116.298 0.450 1 1257 111 111 ASN ND2 N 114.676 0.450 1 1258 112 112 GLU HA H 3.848 0.030 1 1259 112 112 GLU HB2 H 2.040 0.030 2 1260 112 112 GLU HB3 H 2.020 0.030 2 1261 112 112 GLU HG2 H 2.370 0.030 2 1262 112 112 GLU HG3 H 2.294 0.030 2 1263 112 112 GLU C C 177.016 0.450 1 1264 112 112 GLU CA C 59.480 0.450 1 1265 112 112 GLU CB C 29.674 0.450 1 1266 112 112 GLU CG C 36.025 0.450 1 1267 113 113 ASP H H 8.219 0.030 1 1268 113 113 ASP HA H 4.413 0.030 1 1269 113 113 ASP HB2 H 2.806 0.030 2 1270 113 113 ASP HB3 H 2.644 0.030 2 1271 113 113 ASP C C 178.988 0.450 1 1272 113 113 ASP CA C 57.855 0.450 1 1273 113 113 ASP CB C 40.502 0.450 1 1274 113 113 ASP N N 121.033 0.450 1 1275 114 114 GLU H H 8.296 0.030 1 1276 114 114 GLU HA H 4.065 0.030 1 1277 114 114 GLU HB2 H 2.162 0.030 1 1278 114 114 GLU HB3 H 2.162 0.030 1 1279 114 114 GLU HG2 H 2.233 0.030 1 1280 114 114 GLU HG3 H 2.233 0.030 1 1281 114 114 GLU C C 178.776 0.450 1 1282 114 114 GLU CA C 58.714 0.450 1 1283 114 114 GLU CB C 29.213 0.450 1 1284 114 114 GLU CG C 36.154 0.450 1 1285 114 114 GLU N N 121.280 0.450 1 1286 115 115 ALA H H 7.853 0.030 1 1287 115 115 ALA HA H 3.838 0.030 1 1288 115 115 ALA HB H 1.392 0.030 1 1289 115 115 ALA C C 178.502 0.450 1 1290 115 115 ALA CA C 55.638 0.450 1 1291 115 115 ALA CB C 18.497 0.450 1 1292 115 115 ALA N N 120.924 0.450 1 1293 116 116 LYS H H 8.091 0.030 1 1294 116 116 LYS HA H 3.719 0.030 1 1295 116 116 LYS HB2 H 2.032 0.030 1 1296 116 116 LYS HB3 H 2.032 0.030 1 1297 116 116 LYS HG2 H 1.221 0.030 1 1298 116 116 LYS HG3 H 1.221 0.030 1 1299 116 116 LYS HD2 H 1.718 0.030 1 1300 116 116 LYS HD3 H 1.718 0.030 1 1301 116 116 LYS HE2 H 2.842 0.030 2 1302 116 116 LYS HE3 H 2.766 0.030 2 1303 116 116 LYS C C 178.097 0.450 1 1304 116 116 LYS CA C 60.752 0.450 1 1305 116 116 LYS CB C 32.555 0.450 1 1306 116 116 LYS CG C 26.869 0.450 1 1307 116 116 LYS CD C 29.486 0.450 1 1308 116 116 LYS CE C 41.995 0.450 1 1309 116 116 LYS N N 116.616 0.450 1 1310 117 117 LYS H H 7.742 0.030 1 1311 117 117 LYS HA H 3.911 0.030 1 1312 117 117 LYS HB2 H 1.912 0.030 1 1313 117 117 LYS HB3 H 1.912 0.030 1 1314 117 117 LYS HG2 H 1.327 0.030 1 1315 117 117 LYS HG3 H 1.327 0.030 1 1316 117 117 LYS HD2 H 1.665 0.030 1 1317 117 117 LYS HD3 H 1.665 0.030 1 1318 117 117 LYS HE2 H 2.933 0.030 1 1319 117 117 LYS HE3 H 2.933 0.030 1 1320 117 117 LYS C C 179.186 0.450 1 1321 117 117 LYS CA C 59.571 0.450 1 1322 117 117 LYS CB C 32.520 0.450 1 1323 117 117 LYS CG C 25.171 0.450 1 1324 117 117 LYS CD C 29.237 0.450 1 1325 117 117 LYS CE C 41.926 0.450 1 1326 117 117 LYS N N 118.990 0.450 1 1327 118 118 ARG H H 8.468 0.030 1 1328 118 118 ARG HA H 4.140 0.030 1 1329 118 118 ARG HB2 H 1.953 0.030 2 1330 118 118 ARG HB3 H 1.775 0.030 2 1331 118 118 ARG HG2 H 1.841 0.030 2 1332 118 118 ARG HG3 H 1.619 0.030 2 1333 118 118 ARG HD2 H 3.147 0.030 1 1334 118 118 ARG HD3 H 3.147 0.030 1 1335 118 118 ARG C C 178.921 0.450 1 1336 118 118 ARG CA C 57.671 0.450 1 1337 118 118 ARG CB C 29.661 0.450 1 1338 118 118 ARG CG C 26.692 0.450 1 1339 118 118 ARG CD C 42.596 0.450 1 1340 118 118 ARG N N 117.441 0.450 1 1341 119 119 LEU H H 8.322 0.030 1 1342 119 119 LEU HA H 3.960 0.030 1 1343 119 119 LEU HB2 H 1.646 0.030 2 1344 119 119 LEU HB3 H 1.624 0.030 2 1345 119 119 LEU HG H 1.583 0.030 1 1346 119 119 LEU HD1 H 0.927 0.030 2 1347 119 119 LEU HD2 H 0.806 0.030 2 1348 119 119 LEU C C 177.554 0.450 1 1349 119 119 LEU CA C 57.881 0.450 1 1350 119 119 LEU CB C 41.889 0.450 1 1351 119 119 LEU CG C 26.936 0.450 1 1352 119 119 LEU CD1 C 24.660 0.450 1 1353 119 119 LEU CD2 C 24.113 0.450 1 1354 119 119 LEU N N 120.100 0.450 1 1355 120 120 LYS H H 7.990 0.030 1 1356 120 120 LYS HA H 3.822 0.030 1 1357 120 120 LYS HB2 H 1.902 0.030 2 1358 120 120 LYS HB3 H 1.814 0.030 2 1359 120 120 LYS HG2 H 1.578 0.030 2 1360 120 120 LYS HG3 H 1.325 0.030 2 1361 120 120 LYS HD2 H 1.659 0.030 1 1362 120 120 LYS HD3 H 1.659 0.030 1 1363 120 120 LYS HE2 H 2.941 0.030 2 1364 120 120 LYS HE3 H 2.455 0.030 2 1365 120 120 LYS C C 178.703 0.450 1 1366 120 120 LYS CA C 60.346 0.450 1 1367 120 120 LYS CB C 32.236 0.450 1 1368 120 120 LYS CG C 25.123 0.450 1 1369 120 120 LYS CD C 29.197 0.450 1 1370 120 120 LYS CE C 41.763 0.450 1 1371 120 120 LYS N N 118.238 0.450 1 1372 121 121 GLU HA H 4.022 0.030 1 1373 121 121 GLU HB2 H 2.153 0.030 2 1374 121 121 GLU HB3 H 2.033 0.030 2 1375 121 121 GLU C C 177.769 0.450 1 1376 121 121 GLU CA C 58.922 0.450 1 1377 121 121 GLU CB C 29.454 0.450 1 1378 122 122 LEU H H 7.930 0.030 1 1379 122 122 LEU HA H 4.133 0.030 1 1380 122 122 LEU HB2 H 1.842 0.030 2 1381 122 122 LEU HB3 H 1.607 0.030 2 1382 122 122 LEU HG H 1.794 0.030 1 1383 122 122 LEU HD1 H 0.794 0.030 2 1384 122 122 LEU HD2 H 0.792 0.030 2 1385 122 122 LEU C C 178.991 0.450 1 1386 122 122 LEU CA C 57.326 0.450 1 1387 122 122 LEU CB C 41.679 0.450 1 1388 122 122 LEU CG C 26.700 0.450 1 1389 122 122 LEU CD1 C 24.328 0.450 1 1390 122 122 LEU CD2 C 24.867 0.450 1 1391 122 122 LEU N N 119.454 0.450 1 1392 123 123 LEU H H 8.095 0.030 1 1393 123 123 LEU HA H 4.067 0.030 1 1394 123 123 LEU HB2 H 1.937 0.030 2 1395 123 123 LEU HB3 H 1.520 0.030 2 1396 123 123 LEU HG H 1.946 0.030 1 1397 123 123 LEU HD1 H 0.921 0.030 2 1398 123 123 LEU HD2 H 0.782 0.030 2 1399 123 123 LEU C C 179.178 0.450 1 1400 123 123 LEU CA C 56.920 0.450 1 1401 123 123 LEU CB C 41.210 0.450 1 1402 123 123 LEU CG C 26.767 0.450 1 1403 123 123 LEU CD1 C 26.786 0.450 1 1404 123 123 LEU CD2 C 22.309 0.450 1 1405 123 123 LEU N N 117.862 0.450 1 1406 124 124 GLU H H 7.930 0.030 1 1407 124 124 GLU HA H 4.129 0.030 1 1408 124 124 GLU HB2 H 2.147 0.030 1 1409 124 124 GLU HB3 H 2.147 0.030 1 1410 124 124 GLU HG2 H 2.467 0.030 1 1411 124 124 GLU HG3 H 2.467 0.030 1 1412 124 124 GLU C C 177.777 0.450 1 1413 124 124 GLU CA C 58.087 0.450 1 1414 124 124 GLU CB C 29.540 0.450 1 1415 124 124 GLU CG C 36.411 0.450 1 1416 124 124 GLU N N 118.975 0.450 1 1417 125 125 LYS H H 7.729 0.030 1 1418 125 125 LYS HA H 4.337 0.030 1 1419 125 125 LYS HB2 H 1.917 0.030 1 1420 125 125 LYS HB3 H 1.917 0.030 1 1421 125 125 LYS HG2 H 1.530 0.030 2 1422 125 125 LYS HG3 H 1.452 0.030 2 1423 125 125 LYS HD2 H 1.657 0.030 1 1424 125 125 LYS HD3 H 1.657 0.030 1 1425 125 125 LYS HE2 H 2.976 0.030 1 1426 125 125 LYS HE3 H 2.976 0.030 1 1427 125 125 LYS C C 178.188 0.450 1 1428 125 125 LYS CA C 56.980 0.450 1 1429 125 125 LYS CB C 32.608 0.450 1 1430 125 125 LYS CG C 24.711 0.450 1 1431 125 125 LYS CD C 28.913 0.450 1 1432 125 125 LYS CE C 41.832 0.450 1 1433 125 125 LYS N N 118.933 0.450 1 1434 126 126 VAL H H 8.044 0.030 1 1435 126 126 VAL HA H 4.022 0.030 1 1436 126 126 VAL HB H 2.205 0.030 1 1437 126 126 VAL HG1 H 0.954 0.030 1 1438 126 126 VAL HG2 H 0.954 0.030 1 1439 126 126 VAL C C 176.947 0.450 1 1440 126 126 VAL CA C 63.641 0.450 1 1441 126 126 VAL CB C 31.859 0.450 1 1442 126 126 VAL CG1 C 20.805 0.450 1 1443 126 126 VAL CG2 C 20.805 0.450 1 1444 126 126 VAL N N 117.933 0.450 1 1445 127 127 GLY H H 8.279 0.030 1 1446 127 127 GLY HA2 H 4.017 0.030 2 1447 127 127 GLY HA3 H 3.942 0.030 2 1448 127 127 GLY C C 174.264 0.450 1 1449 127 127 GLY CA C 45.279 0.450 1 1450 127 127 GLY N N 109.813 0.450 1 1451 128 128 SER H H 8.048 0.030 1 1452 128 128 SER HA H 4.462 0.030 1 1453 128 128 SER HB2 H 3.911 0.030 1 1454 128 128 SER HB3 H 3.911 0.030 1 1455 128 128 SER C C 174.775 0.450 1 1456 128 128 SER CA C 58.739 0.450 1 1457 128 128 SER CB C 63.850 0.450 1 1458 128 128 SER N N 115.185 0.450 1 1459 129 129 LEU H H 8.147 0.030 1 1460 129 129 LEU HA H 4.298 0.030 1 1461 129 129 LEU HB2 H 1.671 0.030 2 1462 129 129 LEU HB3 H 1.551 0.030 2 1463 129 129 LEU HG H 1.678 0.030 1 1464 129 129 LEU HD1 H 0.834 0.030 2 1465 129 129 LEU HD2 H 0.859 0.030 2 1466 129 129 LEU C C 177.313 0.450 1 1467 129 129 LEU CA C 55.158 0.450 1 1468 129 129 LEU CB C 41.837 0.450 1 1469 129 129 LEU CG C 26.700 0.450 1 1470 129 129 LEU CD1 C 23.286 0.450 1 1471 129 129 LEU CD2 C 23.557 0.450 1 1472 129 129 LEU N N 123.060 0.450 1 1473 130 130 GLU H H 8.242 0.030 1 1474 130 130 GLU HA H 4.181 0.030 1 1475 130 130 GLU HB2 H 1.919 0.030 2 1476 130 130 GLU HB3 H 1.851 0.030 2 1477 130 130 GLU HG2 H 2.136 0.030 1 1478 130 130 GLU HG3 H 2.136 0.030 1 1479 130 130 GLU C C 176.148 0.450 1 1480 130 130 GLU CA C 56.726 0.450 1 1481 130 130 GLU CB C 30.026 0.450 1 1482 130 130 GLU CG C 36.098 0.450 1 1483 130 130 GLU N N 120.088 0.450 1 stop_ save_