data_19365 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Lipid Transfer Protein from Lentil Lens Culinaris ; _BMRB_accession_number 19365 _BMRB_flat_file_name bmr19365.str _Entry_type original _Submission_date 2013-07-16 _Accession_date 2013-07-16 _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 Gizatullina Albina K . 2 Mineev Konstantin S. . 3 Shenkarev Zakhar O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 503 "13C chemical shifts" 271 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-03 update BMRB 'update entry citation' 2013-09-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Recombinant production and solution structure of lipid transfer protein from lentil Lens culinaris.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23998937 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gizatullina Albina K. . 2 Finkina Ekaterina I. . 3 Mineev Konstantin S. . 4 Melnikova Daria N. . 5 Bogdanov Ivan V. . 6 Telezhinskaya Irina N. . 7 Balandin Sergey V. . 8 Shenkarev Zakhar O. . 9 Arseniev Alexander S. . 10 Ovchinnikova Tatiana V. . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume 439 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 427 _Page_last 432 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Lipid Transfer Protein from Lentil Lens Culinaris' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Lipid Transfer Protein' $Lc-LTP2 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_Lc-LTP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Lipid Transfer Protein' _Molecular_mass 9299.741 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; AISCGAVTSDLSPCLTYLTG GPGPSPQCCGGVKKLLAAAN TTPDRQAACNCLKSAAGSIT KLNTNNAAALPGKCGVNIPY KISTTTNCNTVKF ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ILE 3 SER 4 CYS 5 GLY 6 ALA 7 VAL 8 THR 9 SER 10 ASP 11 LEU 12 SER 13 PRO 14 CYS 15 LEU 16 THR 17 TYR 18 LEU 19 THR 20 GLY 21 GLY 22 PRO 23 GLY 24 PRO 25 SER 26 PRO 27 GLN 28 CYS 29 CYS 30 GLY 31 GLY 32 VAL 33 LYS 34 LYS 35 LEU 36 LEU 37 ALA 38 ALA 39 ALA 40 ASN 41 THR 42 THR 43 PRO 44 ASP 45 ARG 46 GLN 47 ALA 48 ALA 49 CYS 50 ASN 51 CYS 52 LEU 53 LYS 54 SER 55 ALA 56 ALA 57 GLY 58 SER 59 ILE 60 THR 61 LYS 62 LEU 63 ASN 64 THR 65 ASN 66 ASN 67 ALA 68 ALA 69 ALA 70 LEU 71 PRO 72 GLY 73 LYS 74 CYS 75 GLY 76 VAL 77 ASN 78 ILE 79 PRO 80 TYR 81 LYS 82 ILE 83 SER 84 THR 85 THR 86 THR 87 ASN 88 CYS 89 ASN 90 THR 91 VAL 92 LYS 93 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2MAL "Solution Structure Of Lipid Transfer Protein From Lentil Lens Culinaris" 100.00 93 100.00 100.00 1.55e-56 GB AAX35807 "lipid transfer protein 2 precursor [Lens culinaris]" 100.00 118 100.00 100.00 7.48e-57 GB AAX35810 "lipid transfer protein 6 precursor [Lens culinaris subsp. culinaris]" 100.00 118 97.85 100.00 5.37e-56 GB AAX35811 "lipid transfer protein 4 precursor, partial [Lens culinaris subsp. culinaris]" 100.00 110 98.92 100.00 2.84e-56 SP A0AT29 "RecName: Full=Non-specific lipid-transfer protein 2; Short=LTP2; Contains: RecName: Full=Non-specific lipid-transfer protein 7;" 100.00 118 100.00 100.00 7.48e-57 SP A0AT32 "RecName: Full=Non-specific lipid-transfer protein 6; Short=LTP6; Flags: Precursor" 100.00 118 97.85 100.00 5.37e-56 SP A0AT33 "RecName: Full=Non-specific lipid-transfer protein 4; Short=LTP4; Contains: RecName: Full=Non-specific lipid-transfer protein 8;" 100.00 110 98.92 100.00 2.84e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Lc-LTP2 lentil 3864 Eukaryota Viridiplantae Lens Culinaris 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 $Lc-LTP2 'recombinant technology' . Escherichia coli . pET-His8-TrxL-Lc-LTP2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Lc-LTP2 1.4 mM '[U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Lc-LTP2 1.4 mM '[U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '20mM sodium acetate buffer solution' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Lc-LTP2 . mM 1.0 1.5 '[U-100% 13C; U-100% 15N]' H2O 95 % . . 'natural source' D2O 5 % . . 'natural source' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Procheck _Saveframe_category software _Name Procheck _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_HNHB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 0 . M pH 5.6 . pH pressure 1 . atm temperature 303 . 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 na indirect . . . 0.251449530 water H 1 protons ppm 4.75 na direct . . . 1.000000000 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_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Lipid Transfer Protein' _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 1 1 ALA HA H 4.245 0.020 1 2 1 1 ALA HB H 1.501 0.020 1 3 1 1 ALA CA C 50.927 0.400 1 4 1 1 ALA CB C 18.760 0.400 1 5 2 2 ILE H H 8.570 0.020 1 6 2 2 ILE HA H 4.322 0.020 1 7 2 2 ILE HB H 1.835 0.020 1 8 2 2 ILE HG12 H 1.295 0.020 1 9 2 2 ILE HG13 H 1.551 0.020 1 10 2 2 ILE HG2 H 0.764 0.020 1 11 2 2 ILE HD1 H 0.761 0.020 1 12 2 2 ILE CA C 58.816 0.400 1 13 2 2 ILE CB C 38.202 0.400 1 14 2 2 ILE CG1 C 26.265 0.400 1 15 2 2 ILE CG2 C 16.384 0.400 1 16 2 2 ILE CD1 C 11.132 0.400 1 17 2 2 ILE N N 121.044 0.400 1 18 3 3 SER H H 8.335 0.020 1 19 3 3 SER HA H 4.785 0.020 1 20 3 3 SER HB2 H 4.047 0.020 1 21 3 3 SER HB3 H 3.932 0.020 1 22 3 3 SER HG H 4.754 0.020 1 23 3 3 SER CA C 55.188 0.400 1 24 3 3 SER CB C 63.880 0.400 1 25 3 3 SER N N 120.308 0.400 1 26 4 4 CYS H H 9.388 0.020 1 27 4 4 CYS HA H 4.629 0.020 1 28 4 4 CYS HB2 H 2.909 0.020 1 29 4 4 CYS HB3 H 3.465 0.020 1 30 4 4 CYS CA C 54.637 0.400 1 31 4 4 CYS CB C 32.296 0.400 1 32 4 4 CYS N N 122.758 0.400 1 33 5 5 GLY H H 8.836 0.020 1 34 5 5 GLY HA2 H 3.879 0.020 1 35 5 5 GLY HA3 H 3.922 0.020 1 36 5 5 GLY CA C 46.355 0.400 1 37 5 5 GLY N N 110.873 0.400 1 38 6 6 ALA H H 7.591 0.020 1 39 6 6 ALA HA H 4.266 0.020 1 40 6 6 ALA HB H 1.552 0.020 1 41 6 6 ALA CA C 53.833 0.400 1 42 6 6 ALA CB C 17.580 0.400 1 43 6 6 ALA N N 125.059 0.400 1 44 7 7 VAL H H 7.614 0.020 1 45 7 7 VAL HA H 3.756 0.020 1 46 7 7 VAL HB H 2.313 0.020 1 47 7 7 VAL HG1 H 0.887 0.020 1 48 7 7 VAL HG2 H 1.098 0.020 1 49 7 7 VAL CA C 65.367 0.400 1 50 7 7 VAL CB C 30.893 0.400 1 51 7 7 VAL CG1 C 20.519 0.400 1 52 7 7 VAL CG2 C 21.851 0.400 1 53 7 7 VAL N N 117.520 0.400 1 54 8 8 THR H H 8.337 0.020 1 55 8 8 THR HA H 3.742 0.020 1 56 8 8 THR HB H 4.267 0.020 1 57 8 8 THR HG2 H 1.216 0.020 1 58 8 8 THR CA C 65.911 0.400 1 59 8 8 THR CB C 67.643 0.400 1 60 8 8 THR CG2 C 21.058 0.400 1 61 8 8 THR N N 113.545 0.400 1 62 9 9 SER H H 7.902 0.020 1 63 9 9 SER HA H 4.302 0.020 1 64 9 9 SER HB2 H 4.009 0.020 2 65 9 9 SER HB3 H 4.009 0.020 2 66 9 9 SER CA C 61.027 0.400 1 67 9 9 SER CB C 62.046 0.400 1 68 9 9 SER N N 116.994 0.400 1 69 10 10 ASP H H 8.357 0.020 1 70 10 10 ASP HA H 4.496 0.020 1 71 10 10 ASP HB2 H 2.954 0.020 1 72 10 10 ASP HB3 H 2.781 0.020 1 73 10 10 ASP CA C 55.883 0.400 1 74 10 10 ASP CB C 38.121 0.400 1 75 10 10 ASP N N 122.236 0.400 1 76 11 11 LEU H H 7.721 0.020 1 77 11 11 LEU HA H 4.310 0.020 1 78 11 11 LEU HB2 H 1.598 0.020 1 79 11 11 LEU HB3 H 1.640 0.020 1 80 11 11 LEU HG H 1.796 0.020 1 81 11 11 LEU HD1 H 0.734 0.020 1 82 11 11 LEU HD2 H 0.697 0.020 1 83 11 11 LEU CA C 53.691 0.400 1 84 11 11 LEU CB C 41.925 0.400 1 85 11 11 LEU CG C 26.126 0.400 1 86 11 11 LEU CD1 C 23.790 0.400 1 87 11 11 LEU CD2 C 22.638 0.400 1 88 11 11 LEU N N 114.751 0.400 1 89 12 12 SER H H 7.808 0.020 1 90 12 12 SER HA H 4.367 0.020 1 91 12 12 SER HB2 H 4.210 0.020 2 92 12 12 SER HB3 H 4.210 0.020 2 93 12 12 SER CA C 63.064 0.400 1 94 12 12 SER CB C 61.381 0.400 1 95 12 12 SER N N 118.323 0.400 1 96 13 13 PRO HA H 4.774 0.020 1 97 13 13 PRO HB2 H 1.375 0.020 1 98 13 13 PRO HB3 H 2.484 0.020 1 99 13 13 PRO HG2 H 1.932 0.020 1 100 13 13 PRO HG3 H 2.000 0.020 1 101 13 13 PRO HD2 H 3.756 0.020 1 102 13 13 PRO HD3 H 3.927 0.020 1 103 13 13 PRO CA C 64.150 0.400 1 104 13 13 PRO CB C 30.582 0.400 1 105 13 13 PRO CG C 27.489 0.400 1 106 13 13 PRO CD C 50.460 0.400 1 107 14 14 CYS H H 8.800 0.020 1 108 14 14 CYS HA H 4.901 0.020 1 109 14 14 CYS HB2 H 3.301 0.020 1 110 14 14 CYS HB3 H 3.261 0.020 1 111 14 14 CYS CA C 53.613 0.400 1 112 14 14 CYS CB C 41.164 0.400 1 113 14 14 CYS N N 113.894 0.400 1 114 15 15 LEU H H 8.037 0.020 1 115 15 15 LEU HA H 3.948 0.020 1 116 15 15 LEU HB2 H 1.999 0.020 1 117 15 15 LEU HB3 H 1.728 0.020 1 118 15 15 LEU HG H 1.879 0.020 1 119 15 15 LEU HD1 H 1.002 0.020 1 120 15 15 LEU HD2 H 0.877 0.020 1 121 15 15 LEU CA C 59.269 0.400 1 122 15 15 LEU CB C 40.337 0.400 1 123 15 15 LEU CG C 26.440 0.400 1 124 15 15 LEU CD1 C 23.646 0.400 1 125 15 15 LEU CD2 C 22.257 0.400 1 126 15 15 LEU N N 122.998 0.400 1 127 16 16 THR H H 8.575 0.020 1 128 16 16 THR HA H 3.923 0.020 1 129 16 16 THR HB H 4.284 0.020 1 130 16 16 THR HG1 H 4.764 0.020 1 131 16 16 THR HG2 H 1.386 0.020 1 132 16 16 THR CA C 65.499 0.400 1 133 16 16 THR CB C 67.771 0.400 1 134 16 16 THR CG2 C 21.224 0.400 1 135 16 16 THR N N 112.778 0.400 1 136 17 17 TYR H H 7.441 0.020 1 137 17 17 TYR HA H 4.440 0.020 1 138 17 17 TYR HB2 H 3.426 0.020 1 139 17 17 TYR HB3 H 3.008 0.020 1 140 17 17 TYR HD1 H 6.872 0.020 1 141 17 17 TYR HD2 H 6.872 0.020 1 142 17 17 TYR HE1 H 6.676 0.020 1 143 17 17 TYR HE2 H 6.676 0.020 1 144 17 17 TYR CA C 58.730 0.400 1 145 17 17 TYR CB C 38.669 0.400 1 146 17 17 TYR N N 123.047 0.400 1 147 18 18 LEU H H 8.878 0.020 1 148 18 18 LEU HA H 3.846 0.020 1 149 18 18 LEU HB2 H 2.007 0.020 1 150 18 18 LEU HB3 H 1.504 0.020 1 151 18 18 LEU HG H 1.897 0.020 1 152 18 18 LEU HD1 H 0.751 0.020 1 153 18 18 LEU HD2 H 0.859 0.020 1 154 18 18 LEU CA C 56.594 0.400 1 155 18 18 LEU CB C 40.792 0.400 1 156 18 18 LEU CG C 26.067 0.400 1 157 18 18 LEU CD1 C 24.456 0.400 1 158 18 18 LEU CD2 C 21.378 0.400 1 159 18 18 LEU N N 120.016 0.400 1 160 19 19 THR H H 7.593 0.020 1 161 19 19 THR HA H 4.776 0.020 1 162 19 19 THR HB H 4.582 0.020 1 163 19 19 THR HG2 H 1.156 0.020 1 164 19 19 THR CA C 60.526 0.400 1 165 19 19 THR CB C 68.447 0.400 1 166 19 19 THR CG2 C 20.942 0.400 1 167 19 19 THR N N 105.866 0.400 1 168 20 20 GLY H H 7.718 0.020 1 169 20 20 GLY HA2 H 4.656 0.020 1 170 20 20 GLY HA3 H 3.455 0.020 1 171 20 20 GLY CA C 44.570 0.400 1 172 20 20 GLY N N 107.211 0.400 1 173 21 21 GLY H H 8.399 0.020 1 174 21 21 GLY HA2 H 4.447 0.020 1 175 21 21 GLY HA3 H 3.700 0.020 1 176 21 21 GLY CA C 43.706 0.400 1 177 21 21 GLY N N 110.612 0.400 1 178 22 22 PRO HA H 4.640 0.020 1 179 22 22 PRO HB2 H 1.918 0.020 1 180 22 22 PRO HB3 H 2.364 0.020 1 181 22 22 PRO HG2 H 1.988 0.020 1 182 22 22 PRO HG3 H 2.065 0.020 1 183 22 22 PRO HD2 H 3.523 0.020 1 184 22 22 PRO HD3 H 3.640 0.020 1 185 22 22 PRO CA C 62.058 0.400 1 186 22 22 PRO CB C 31.882 0.400 1 187 22 22 PRO CG C 26.450 0.400 1 188 22 22 PRO CD C 48.805 0.400 1 189 23 23 GLY H H 8.292 0.020 1 190 23 23 GLY HA2 H 4.433 0.020 1 191 23 23 GLY HA3 H 3.313 0.020 1 192 23 23 GLY CA C 42.986 0.400 1 193 23 23 GLY N N 106.414 0.400 1 194 24 24 PRO HA H 4.051 0.020 1 195 24 24 PRO HB2 H 1.734 0.020 1 196 24 24 PRO HB3 H 1.580 0.020 1 197 24 24 PRO HG2 H 1.661 0.020 1 198 24 24 PRO HG3 H 1.625 0.020 1 199 24 24 PRO HD2 H 2.527 0.020 1 200 24 24 PRO HD3 H 3.334 0.020 1 201 24 24 PRO CA C 60.514 0.400 1 202 24 24 PRO CB C 33.201 0.400 1 203 24 24 PRO CG C 23.928 0.400 1 204 24 24 PRO CD C 48.380 0.400 1 205 25 25 SER H H 8.842 0.020 1 206 25 25 SER HA H 4.728 0.020 1 207 25 25 SER HB2 H 4.524 0.020 1 208 25 25 SER HB3 H 4.133 0.020 1 209 25 25 SER HG H 5.962 0.020 1 210 25 25 SER CA C 55.570 0.400 1 211 25 25 SER CB C 62.287 0.400 1 212 25 25 SER N N 120.709 0.400 1 213 26 26 PRO HA H 4.325 0.020 1 214 26 26 PRO HB2 H 1.901 0.020 1 215 26 26 PRO HB3 H 2.404 0.020 1 216 26 26 PRO HG2 H 2.215 0.020 1 217 26 26 PRO HG3 H 2.055 0.020 1 218 26 26 PRO HD2 H 3.921 0.020 2 219 26 26 PRO HD3 H 3.921 0.020 2 220 26 26 PRO CA C 64.750 0.400 1 221 26 26 PRO CB C 30.837 0.400 1 222 26 26 PRO CG C 27.260 0.400 1 223 26 26 PRO CD C 49.700 0.400 1 224 27 27 GLN H H 8.622 0.020 1 225 27 27 GLN HA H 4.146 0.020 1 226 27 27 GLN HB2 H 2.152 0.020 1 227 27 27 GLN HB3 H 1.988 0.020 1 228 27 27 GLN HG2 H 2.656 0.020 1 229 27 27 GLN HG3 H 2.510 0.020 1 230 27 27 GLN HE21 H 7.637 0.020 2 231 27 27 GLN HE22 H 6.953 0.020 2 232 27 27 GLN CA C 58.985 0.400 1 233 27 27 GLN CB C 26.697 0.400 1 234 27 27 GLN CG C 33.720 0.400 1 235 27 27 GLN N N 117.621 0.400 1 236 27 27 GLN NE2 N 111.983 0.400 1 237 28 28 CYS H H 8.107 0.020 1 238 28 28 CYS HA H 4.381 0.020 1 239 28 28 CYS HB2 H 2.994 0.020 1 240 28 28 CYS HB3 H 3.336 0.020 1 241 28 28 CYS CA C 58.300 0.400 1 242 28 28 CYS CB C 36.572 0.400 1 243 28 28 CYS N N 119.880 0.400 1 244 29 29 CYS H H 8.279 0.020 1 245 29 29 CYS HA H 4.676 0.020 1 246 29 29 CYS HB2 H 2.759 0.020 1 247 29 29 CYS HB3 H 3.081 0.020 1 248 29 29 CYS CA C 54.207 0.400 1 249 29 29 CYS CB C 32.154 0.400 1 250 29 29 CYS N N 116.049 0.400 1 251 30 30 GLY H H 8.790 0.020 1 252 30 30 GLY HA2 H 3.860 0.020 1 253 30 30 GLY HA3 H 3.986 0.020 1 254 30 30 GLY CA C 46.450 0.400 1 255 30 30 GLY N N 108.311 0.400 1 256 31 31 GLY H H 7.968 0.020 1 257 31 31 GLY HA2 H 3.888 0.020 1 258 31 31 GLY HA3 H 4.200 0.020 1 259 31 31 GLY CA C 46.754 0.400 1 260 31 31 GLY N N 112.061 0.400 1 261 32 32 VAL H H 8.129 0.020 1 262 32 32 VAL HA H 3.567 0.020 1 263 32 32 VAL HB H 2.255 0.020 1 264 32 32 VAL HG1 H 0.848 0.020 1 265 32 32 VAL HG2 H 1.080 0.020 1 266 32 32 VAL CA C 65.906 0.400 1 267 32 32 VAL CB C 30.984 0.400 1 268 32 32 VAL CG1 C 20.925 0.400 1 269 32 32 VAL CG2 C 22.845 0.400 1 270 32 32 VAL N N 121.447 0.400 1 271 33 33 LYS H H 8.300 0.020 1 272 33 33 LYS HA H 3.867 0.020 1 273 33 33 LYS HB2 H 1.888 0.020 2 274 33 33 LYS HB3 H 1.888 0.020 2 275 33 33 LYS HG2 H 1.373 0.020 1 276 33 33 LYS HG3 H 1.603 0.020 1 277 33 33 LYS HD2 H 1.668 0.020 1 278 33 33 LYS HD3 H 1.668 0.020 1 279 33 33 LYS HE2 H 2.897 0.020 1 280 33 33 LYS HE3 H 2.897 0.020 1 281 33 33 LYS CA C 59.856 0.400 1 282 33 33 LYS CB C 31.515 0.400 1 283 33 33 LYS CG C 25.985 0.400 1 284 33 33 LYS CD C 28.764 0.400 1 285 33 33 LYS CE C 41.530 0.400 1 286 33 33 LYS N N 117.852 0.400 1 287 34 34 LYS H H 7.940 0.020 1 288 34 34 LYS HA H 4.012 0.020 1 289 34 34 LYS HB2 H 1.979 0.020 1 290 34 34 LYS HB3 H 1.928 0.020 1 291 34 34 LYS HG2 H 1.534 0.020 1 292 34 34 LYS HG3 H 1.381 0.020 1 293 34 34 LYS HD2 H 1.696 0.020 2 294 34 34 LYS HD3 H 1.650 0.020 2 295 34 34 LYS HE2 H 2.992 0.020 1 296 34 34 LYS HE3 H 2.992 0.020 1 297 34 34 LYS CA C 58.962 0.400 1 298 34 34 LYS CB C 32.139 0.400 1 299 34 34 LYS CG C 24.369 0.400 1 300 34 34 LYS CD C 29.050 0.400 1 301 34 34 LYS CE C 36.418 0.400 1 302 34 34 LYS N N 120.312 0.400 1 303 35 35 LEU H H 7.904 0.020 1 304 35 35 LEU HA H 4.135 0.020 1 305 35 35 LEU HB2 H 1.817 0.020 1 306 35 35 LEU HB3 H 2.113 0.020 1 307 35 35 LEU HG H 1.893 0.020 1 308 35 35 LEU HD1 H 0.974 0.020 1 309 35 35 LEU HD2 H 0.962 0.020 1 310 35 35 LEU CA C 57.427 0.400 1 311 35 35 LEU CB C 40.642 0.400 1 312 35 35 LEU CG C 26.320 0.400 1 313 35 35 LEU CD1 C 25.513 0.400 1 314 35 35 LEU CD2 C 24.475 0.400 1 315 35 35 LEU N N 121.249 0.400 1 316 36 36 LEU H H 7.889 0.020 1 317 36 36 LEU HA H 4.120 0.020 1 318 36 36 LEU HB2 H 1.782 0.020 1 319 36 36 LEU HB3 H 1.627 0.020 1 320 36 36 LEU HG H 1.889 0.020 1 321 36 36 LEU HD1 H 0.848 0.020 1 322 36 36 LEU HD2 H 0.898 0.020 1 323 36 36 LEU CA C 56.215 0.400 1 324 36 36 LEU CB C 40.640 0.400 1 325 36 36 LEU CG C 26.282 0.400 1 326 36 36 LEU CD1 C 24.884 0.400 1 327 36 36 LEU CD2 C 21.589 0.400 1 328 36 36 LEU N N 117.131 0.400 1 329 37 37 ALA H H 7.970 0.020 1 330 37 37 ALA HA H 4.214 0.020 1 331 37 37 ALA HB H 1.497 0.020 1 332 37 37 ALA CA C 53.148 0.400 1 333 37 37 ALA CB C 17.492 0.400 1 334 37 37 ALA N N 120.483 0.400 1 335 38 38 ALA H H 7.363 0.020 1 336 38 38 ALA HA H 4.276 0.020 1 337 38 38 ALA HB H 1.491 0.020 1 338 38 38 ALA CA C 52.154 0.400 1 339 38 38 ALA CB C 18.077 0.400 1 340 38 38 ALA N N 118.293 0.400 1 341 39 39 ALA H H 7.395 0.020 1 342 39 39 ALA HA H 4.518 0.020 1 343 39 39 ALA HB H 1.212 0.020 1 344 39 39 ALA CA C 49.935 0.400 1 345 39 39 ALA CB C 16.949 0.400 1 346 39 39 ALA N N 121.254 0.400 1 347 40 40 ASN H H 8.763 0.020 1 348 40 40 ASN HA H 4.940 0.020 1 349 40 40 ASN HB2 H 2.821 0.020 2 350 40 40 ASN HB3 H 2.821 0.020 2 351 40 40 ASN HD21 H 7.508 0.020 1 352 40 40 ASN HD22 H 6.851 0.020 1 353 40 40 ASN CA C 53.048 0.400 1 354 40 40 ASN CB C 39.671 0.400 1 355 40 40 ASN N N 119.862 0.400 1 356 40 40 ASN ND2 N 112.653 0.400 1 357 41 41 THR H H 7.694 0.020 1 358 41 41 THR HA H 4.703 0.020 1 359 41 41 THR HB H 4.491 0.020 1 360 41 41 THR HG2 H 1.318 0.020 1 361 41 41 THR CA C 58.955 0.400 1 362 41 41 THR CB C 71.590 0.400 1 363 41 41 THR CG2 C 20.862 0.400 1 364 41 41 THR N N 108.589 0.400 1 365 42 42 THR H H 9.330 0.020 1 366 42 42 THR HA H 3.971 0.020 1 367 42 42 THR HB H 4.434 0.020 1 368 42 42 THR HG2 H 1.309 0.020 1 369 42 42 THR CA C 68.368 0.400 1 370 42 42 THR CB C 65.706 0.400 1 371 42 42 THR CG2 C 21.991 0.400 1 372 42 42 THR N N 119.270 0.400 1 373 43 43 PRO HA H 4.405 0.020 1 374 43 43 PRO HB2 H 1.823 0.020 1 375 43 43 PRO HB3 H 2.364 0.020 1 376 43 43 PRO HG2 H 2.131 0.020 1 377 43 43 PRO HG3 H 1.990 0.020 1 378 43 43 PRO HD2 H 3.868 0.020 1 379 43 43 PRO HD3 H 3.755 0.020 1 380 43 43 PRO CA C 65.149 0.400 1 381 43 43 PRO CB C 30.185 0.400 1 382 43 43 PRO CG C 27.518 0.400 1 383 43 43 PRO CD C 49.117 0.400 1 384 44 44 ASP H H 7.353 0.020 1 385 44 44 ASP HA H 4.615 0.020 1 386 44 44 ASP HB2 H 2.730 0.020 1 387 44 44 ASP HB3 H 2.573 0.020 1 388 44 44 ASP CA C 56.507 0.400 1 389 44 44 ASP CB C 39.964 0.400 1 390 44 44 ASP N N 117.439 0.400 1 391 45 45 ARG H H 8.466 0.020 1 392 45 45 ARG HA H 3.831 0.020 1 393 45 45 ARG HB2 H 1.513 0.020 1 394 45 45 ARG HB3 H 1.298 0.020 1 395 45 45 ARG HG2 H 1.608 0.020 1 396 45 45 ARG HG3 H 1.526 0.020 1 397 45 45 ARG HD2 H 3.028 0.020 2 398 45 45 ARG HD3 H 2.870 0.020 2 399 45 45 ARG HE H 7.055 0.020 1 400 45 45 ARG HH21 H 6.758 0.020 1 401 45 45 ARG HH22 H 6.758 0.020 1 402 45 45 ARG CA C 59.464 0.400 1 403 45 45 ARG CB C 28.530 0.400 1 404 45 45 ARG CG C 28.740 0.400 1 405 45 45 ARG CD C 43.073 0.400 1 406 45 45 ARG N N 122.345 0.400 1 407 45 45 ARG NE N 85.818 0.400 1 408 45 45 ARG NH2 N 72.213 0.400 1 409 46 46 GLN H H 8.214 0.020 1 410 46 46 GLN HA H 3.764 0.020 1 411 46 46 GLN HB2 H 2.162 0.020 1 412 46 46 GLN HB3 H 1.995 0.020 1 413 46 46 GLN HG2 H 2.488 0.020 2 414 46 46 GLN HG3 H 2.488 0.020 2 415 46 46 GLN HE21 H 7.494 0.020 2 416 46 46 GLN HE22 H 6.801 0.020 2 417 46 46 GLN CA C 58.848 0.400 1 418 46 46 GLN CB C 27.261 0.400 1 419 46 46 GLN CG C 33.453 0.400 1 420 46 46 GLN N N 120.475 0.400 1 421 46 46 GLN NE2 N 110.684 0.400 1 422 47 47 ALA H H 8.150 0.020 1 423 47 47 ALA HA H 4.272 0.020 1 424 47 47 ALA HB H 1.580 0.020 1 425 47 47 ALA CA C 54.427 0.400 1 426 47 47 ALA CB C 17.337 0.400 1 427 47 47 ALA N N 122.392 0.400 1 428 48 48 ALA H H 8.633 0.020 1 429 48 48 ALA HA H 3.790 0.020 1 430 48 48 ALA HB H 1.418 0.020 1 431 48 48 ALA CA C 55.381 0.400 1 432 48 48 ALA CB C 16.262 0.400 1 433 48 48 ALA N N 121.429 0.400 1 434 49 49 CYS H H 7.645 0.020 1 435 49 49 CYS HA H 4.120 0.020 1 436 49 49 CYS HB2 H 2.455 0.020 1 437 49 49 CYS HB3 H 3.506 0.020 1 438 49 49 CYS CA C 59.720 0.400 1 439 49 49 CYS CB C 35.772 0.400 1 440 49 49 CYS N N 117.491 0.400 1 441 50 50 ASN H H 8.265 0.020 1 442 50 50 ASN HA H 4.485 0.020 1 443 50 50 ASN HB2 H 2.854 0.020 1 444 50 50 ASN HB3 H 2.769 0.020 1 445 50 50 ASN HD21 H 7.273 0.020 1 446 50 50 ASN HD22 H 7.251 0.020 1 447 50 50 ASN CA C 56.093 0.400 1 448 50 50 ASN CB C 38.101 0.400 1 449 50 50 ASN N N 120.998 0.400 1 450 50 50 ASN ND2 N 114.812 0.400 1 451 51 51 CYS H H 8.752 0.020 1 452 51 51 CYS HA H 4.595 0.020 1 453 51 51 CYS HB2 H 3.056 0.020 1 454 51 51 CYS HB3 H 2.947 0.020 1 455 51 51 CYS CA C 55.630 0.400 1 456 51 51 CYS CB C 35.660 0.400 1 457 51 51 CYS N N 119.531 0.400 1 458 52 52 LEU H H 8.576 0.020 1 459 52 52 LEU HA H 4.016 0.020 1 460 52 52 LEU HB2 H 2.220 0.020 1 461 52 52 LEU HB3 H 1.429 0.020 1 462 52 52 LEU HG H 1.755 0.020 1 463 52 52 LEU HD1 H 0.976 0.020 1 464 52 52 LEU HD2 H 0.788 0.020 1 465 52 52 LEU CA C 57.636 0.400 1 466 52 52 LEU CB C 41.128 0.400 1 467 52 52 LEU CG C 26.627 0.400 1 468 52 52 LEU CD1 C 24.573 0.400 1 469 52 52 LEU CD2 C 22.848 0.400 1 470 52 52 LEU N N 123.746 0.400 1 471 53 53 LYS H H 8.398 0.020 1 472 53 53 LYS HA H 4.044 0.020 1 473 53 53 LYS HB2 H 1.985 0.020 1 474 53 53 LYS HB3 H 2.051 0.020 1 475 53 53 LYS HG2 H 1.760 0.020 1 476 53 53 LYS HG3 H 1.374 0.020 1 477 53 53 LYS HD2 H 1.923 0.020 2 478 53 53 LYS HD3 H 1.753 0.020 2 479 53 53 LYS HE2 H 3.047 0.020 1 480 53 53 LYS HE3 H 3.047 0.020 1 481 53 53 LYS CA C 58.965 0.400 1 482 53 53 LYS CB C 32.663 0.400 1 483 53 53 LYS CG C 23.873 0.400 1 484 53 53 LYS CD C 29.630 0.400 1 485 53 53 LYS CE C 36.547 0.400 1 486 53 53 LYS N N 121.121 0.400 1 487 54 54 SER H H 7.972 0.020 1 488 54 54 SER HA H 4.257 0.020 1 489 54 54 SER HB2 H 4.024 0.020 2 490 54 54 SER HB3 H 4.024 0.020 2 491 54 54 SER CA C 60.520 0.400 1 492 54 54 SER CB C 62.229 0.400 1 493 54 54 SER N N 114.194 0.400 1 494 55 55 ALA H H 8.317 0.020 1 495 55 55 ALA HA H 4.138 0.020 1 496 55 55 ALA HB H 1.409 0.020 1 497 55 55 ALA CA C 54.118 0.400 1 498 55 55 ALA CB C 16.630 0.400 1 499 55 55 ALA N N 124.997 0.400 1 500 56 56 ALA H H 8.419 0.020 1 501 56 56 ALA HA H 3.909 0.020 1 502 56 56 ALA HB H 1.329 0.020 1 503 56 56 ALA CA C 54.220 0.400 1 504 56 56 ALA CB C 16.183 0.400 1 505 56 56 ALA N N 119.526 0.400 1 506 57 57 GLY H H 7.766 0.020 1 507 57 57 GLY HA2 H 3.962 0.020 2 508 57 57 GLY HA3 H 3.962 0.020 2 509 57 57 GLY CA C 45.331 0.400 1 510 57 57 GLY N N 102.346 0.400 1 511 58 58 SER H H 7.644 0.020 1 512 58 58 SER HA H 4.570 0.020 1 513 58 58 SER HB2 H 3.985 0.020 2 514 58 58 SER HB3 H 3.985 0.020 2 515 58 58 SER CA C 58.053 0.400 1 516 58 58 SER CB C 63.586 0.400 1 517 58 58 SER N N 114.542 0.400 1 518 59 59 ILE H H 7.217 0.020 1 519 59 59 ILE HA H 4.135 0.020 1 520 59 59 ILE HB H 1.859 0.020 1 521 59 59 ILE HG12 H 1.807 0.020 1 522 59 59 ILE HG13 H 0.950 0.020 1 523 59 59 ILE HG2 H 0.721 0.020 1 524 59 59 ILE HD1 H 0.702 0.020 1 525 59 59 ILE CA C 60.213 0.400 1 526 59 59 ILE CB C 37.490 0.400 1 527 59 59 ILE CG1 C 26.239 0.400 1 528 59 59 ILE CG2 C 16.915 0.400 1 529 59 59 ILE CD1 C 13.307 0.400 1 530 59 59 ILE N N 123.033 0.400 1 531 60 60 THR H H 8.316 0.020 1 532 60 60 THR HA H 4.042 0.020 1 533 60 60 THR HB H 4.149 0.020 1 534 60 60 THR HG1 H 4.748 0.020 1 535 60 60 THR HG2 H 1.302 0.020 1 536 60 60 THR CA C 64.017 0.400 1 537 60 60 THR CB C 68.029 0.400 1 538 60 60 THR CG2 C 21.369 0.400 1 539 60 60 THR N N 123.206 0.400 1 540 61 61 LYS H H 8.363 0.020 1 541 61 61 LYS HA H 4.245 0.020 1 542 61 61 LYS HB2 H 1.743 0.020 1 543 61 61 LYS HB3 H 2.058 0.020 1 544 61 61 LYS HG2 H 1.453 0.020 1 545 61 61 LYS HG3 H 1.385 0.020 1 546 61 61 LYS HD2 H 1.723 0.020 1 547 61 61 LYS HD3 H 1.723 0.020 1 548 61 61 LYS HE2 H 3.022 0.020 1 549 61 61 LYS HE3 H 3.022 0.020 1 550 61 61 LYS CA C 54.976 0.400 1 551 61 61 LYS CB C 29.834 0.400 1 552 61 61 LYS CG C 24.445 0.400 1 553 61 61 LYS CD C 29.429 0.400 1 554 61 61 LYS CE C 38.449 0.400 1 555 61 61 LYS N N 120.529 0.400 1 556 62 62 LEU H H 7.281 0.020 1 557 62 62 LEU HA H 3.851 0.020 1 558 62 62 LEU HB2 H 1.632 0.020 1 559 62 62 LEU HB3 H 1.743 0.020 1 560 62 62 LEU HG H 1.351 0.020 1 561 62 62 LEU HD1 H 0.971 0.020 2 562 62 62 LEU HD2 H 0.971 0.020 2 563 62 62 LEU CA C 55.417 0.400 1 564 62 62 LEU CB C 41.890 0.400 1 565 62 62 LEU CG C 25.551 0.400 1 566 62 62 LEU CD1 C 23.772 0.400 1 567 62 62 LEU CD2 C 25.497 0.400 1 568 62 62 LEU N N 120.294 0.400 1 569 63 63 ASN H H 9.140 0.020 1 570 63 63 ASN HA H 4.911 0.020 1 571 63 63 ASN HB2 H 2.349 0.020 1 572 63 63 ASN HB3 H 2.634 0.020 1 573 63 63 ASN HD21 H 7.671 0.020 1 574 63 63 ASN HD22 H 6.989 0.020 1 575 63 63 ASN CA C 51.736 0.400 1 576 63 63 ASN CB C 37.757 0.400 1 577 63 63 ASN N N 127.060 0.400 1 578 63 63 ASN ND2 N 113.425 0.400 1 579 64 64 THR H H 8.591 0.020 1 580 64 64 THR HA H 3.858 0.020 1 581 64 64 THR HB H 4.283 0.020 1 582 64 64 THR HG2 H 1.324 0.020 1 583 64 64 THR CA C 64.785 0.400 1 584 64 64 THR CB C 67.348 0.400 1 585 64 64 THR CG2 C 21.437 0.400 1 586 64 64 THR N N 120.092 0.400 1 587 65 65 ASN H H 8.214 0.020 1 588 65 65 ASN HA H 4.528 0.020 1 589 65 65 ASN HB2 H 2.965 0.020 1 590 65 65 ASN HB3 H 2.868 0.020 1 591 65 65 ASN HD21 H 7.642 0.020 1 592 65 65 ASN HD22 H 7.035 0.020 1 593 65 65 ASN CA C 55.665 0.400 1 594 65 65 ASN CB C 36.803 0.400 1 595 65 65 ASN N N 122.671 0.400 1 596 65 65 ASN ND2 N 113.228 0.400 1 597 66 66 ASN H H 8.554 0.020 1 598 66 66 ASN HA H 4.363 0.020 1 599 66 66 ASN HB2 H 2.426 0.020 1 600 66 66 ASN HB3 H 1.555 0.020 1 601 66 66 ASN HD21 H 7.137 0.020 1 602 66 66 ASN HD22 H 6.853 0.020 1 603 66 66 ASN CA C 54.303 0.400 1 604 66 66 ASN CB C 34.749 0.400 1 605 66 66 ASN N N 123.244 0.400 1 606 66 66 ASN ND2 N 108.962 0.400 1 607 67 67 ALA H H 8.247 0.020 1 608 67 67 ALA HA H 3.915 0.020 1 609 67 67 ALA HB H 1.496 0.020 1 610 67 67 ALA CA C 55.051 0.400 1 611 67 67 ALA CB C 16.949 0.400 1 612 67 67 ALA N N 122.056 0.400 1 613 68 68 ALA H H 7.729 0.020 1 614 68 68 ALA HA H 4.289 0.020 1 615 68 68 ALA HB H 1.601 0.020 1 616 68 68 ALA CA C 53.535 0.400 1 617 68 68 ALA CB C 17.509 0.400 1 618 68 68 ALA N N 117.452 0.400 1 619 69 69 ALA H H 7.793 0.020 1 620 69 69 ALA HA H 4.367 0.020 1 621 69 69 ALA HB H 1.603 0.020 1 622 69 69 ALA CA C 52.213 0.400 1 623 69 69 ALA CB C 18.770 0.400 1 624 69 69 ALA N N 118.674 0.400 1 625 70 70 LEU H H 7.622 0.020 1 626 70 70 LEU HA H 4.200 0.020 1 627 70 70 LEU HB2 H 2.039 0.020 1 628 70 70 LEU HB3 H 2.191 0.020 1 629 70 70 LEU HG H 1.486 0.020 1 630 70 70 LEU HD1 H 1.100 0.020 1 631 70 70 LEU HD2 H 0.973 0.020 1 632 70 70 LEU CA C 60.036 0.400 1 633 70 70 LEU CB C 38.800 0.400 1 634 70 70 LEU CG C 26.700 0.400 1 635 70 70 LEU CD1 C 24.669 0.400 1 636 70 70 LEU CD2 C 24.907 0.400 1 637 70 70 LEU N N 117.440 0.400 1 638 71 71 PRO HA H 3.903 0.020 1 639 71 71 PRO HB2 H 2.128 0.020 1 640 71 71 PRO HB3 H 2.003 0.020 1 641 71 71 PRO HG2 H 2.447 0.020 1 642 71 71 PRO HG3 H 1.682 0.020 1 643 71 71 PRO HD2 H 3.814 0.020 1 644 71 71 PRO HD3 H 3.754 0.020 1 645 71 71 PRO CA C 66.495 0.400 1 646 71 71 PRO CB C 29.877 0.400 1 647 71 71 PRO CG C 28.298 0.400 1 648 71 71 PRO CD C 48.797 0.400 1 649 72 72 GLY H H 8.435 0.020 1 650 72 72 GLY HA2 H 3.945 0.020 2 651 72 72 GLY HA3 H 3.945 0.020 2 652 72 72 GLY CA C 46.421 0.400 1 653 72 72 GLY N N 106.133 0.400 1 654 73 73 LYS H H 8.409 0.020 1 655 73 73 LYS HA H 4.197 0.020 1 656 73 73 LYS HB2 H 1.969 0.020 1 657 73 73 LYS HB3 H 1.600 0.020 1 658 73 73 LYS HG2 H 1.598 0.020 1 659 73 73 LYS HG3 H 1.539 0.020 1 660 73 73 LYS HD2 H 1.697 0.020 1 661 73 73 LYS HD3 H 1.697 0.020 1 662 73 73 LYS HE2 H 3.114 0.020 2 663 73 73 LYS HE3 H 2.987 0.020 2 664 73 73 LYS CA C 57.499 0.400 1 665 73 73 LYS CB C 31.999 0.400 1 666 73 73 LYS CG C 24.783 0.400 1 667 73 73 LYS CD C 27.724 0.400 1 668 73 73 LYS CE C 41.596 0.400 1 669 73 73 LYS N N 121.515 0.400 1 670 74 74 CYS H H 7.848 0.020 1 671 74 74 CYS HA H 4.949 0.020 1 672 74 74 CYS HB2 H 2.671 0.020 1 673 74 74 CYS HB3 H 3.192 0.020 1 674 74 74 CYS CA C 51.661 0.400 1 675 74 74 CYS CB C 34.763 0.400 1 676 74 74 CYS N N 114.783 0.400 1 677 75 75 GLY H H 7.958 0.020 1 678 75 75 GLY HA2 H 3.912 0.020 1 679 75 75 GLY HA3 H 4.047 0.020 1 680 75 75 GLY CA C 45.896 0.400 1 681 75 75 GLY N N 109.635 0.400 1 682 76 76 VAL H H 8.156 0.020 1 683 76 76 VAL HA H 4.457 0.020 1 684 76 76 VAL HB H 1.912 0.020 1 685 76 76 VAL HG1 H 0.709 0.020 1 686 76 76 VAL HG2 H 0.796 0.020 1 687 76 76 VAL CA C 58.986 0.400 1 688 76 76 VAL CB C 33.598 0.400 1 689 76 76 VAL CG1 C 19.003 0.400 1 690 76 76 VAL CG2 C 21.080 0.400 1 691 76 76 VAL N N 115.877 0.400 1 692 77 77 ASN H H 8.398 0.020 1 693 77 77 ASN HA H 4.829 0.020 1 694 77 77 ASN HB2 H 2.680 0.020 1 695 77 77 ASN HB3 H 2.581 0.020 1 696 77 77 ASN HD21 H 7.509 0.020 1 697 77 77 ASN HD22 H 6.816 0.020 1 698 77 77 ASN CA C 51.789 0.400 1 699 77 77 ASN CB C 39.118 0.400 1 700 77 77 ASN N N 121.422 0.400 1 701 77 77 ASN ND2 N 112.619 0.400 1 702 78 78 ILE H H 8.022 0.020 1 703 78 78 ILE HA H 4.640 0.020 1 704 78 78 ILE HB H 1.375 0.020 1 705 78 78 ILE HG12 H 1.463 0.020 1 706 78 78 ILE HG13 H 0.739 0.020 1 707 78 78 ILE HG2 H 0.734 0.020 1 708 78 78 ILE HD1 H 0.425 0.020 1 709 78 78 ILE CA C 57.185 0.400 1 710 78 78 ILE CB C 39.656 0.400 1 711 78 78 ILE CG1 C 25.034 0.400 1 712 78 78 ILE CG2 C 17.895 0.400 1 713 78 78 ILE CD1 C 12.106 0.400 1 714 78 78 ILE N N 119.375 0.400 1 715 79 79 PRO HA H 4.601 0.020 1 716 79 79 PRO HB2 H 2.143 0.020 1 717 79 79 PRO HB3 H 2.047 0.020 1 718 79 79 PRO HG2 H 1.587 0.020 1 719 79 79 PRO HG3 H 2.097 0.020 1 720 79 79 PRO HD2 H 3.496 0.020 1 721 79 79 PRO HD3 H 3.745 0.020 1 722 79 79 PRO CA C 62.877 0.400 1 723 79 79 PRO CB C 29.833 0.400 1 724 79 79 PRO CG C 26.454 0.400 1 725 79 79 PRO CD C 49.917 0.400 1 726 80 80 TYR H H 6.743 0.020 1 727 80 80 TYR HA H 4.782 0.020 1 728 80 80 TYR HB2 H 2.940 0.020 1 729 80 80 TYR HB3 H 2.905 0.020 1 730 80 80 TYR HD1 H 6.754 0.020 1 731 80 80 TYR HD2 H 6.754 0.020 1 732 80 80 TYR HE1 H 6.824 0.020 1 733 80 80 TYR HE2 H 6.824 0.020 1 734 80 80 TYR CA C 54.030 0.400 1 735 80 80 TYR CB C 39.347 0.400 1 736 80 80 TYR N N 115.555 0.400 1 737 81 81 LYS H H 8.334 0.020 1 738 81 81 LYS HA H 4.502 0.020 1 739 81 81 LYS HB2 H 1.661 0.020 2 740 81 81 LYS HB3 H 1.661 0.020 2 741 81 81 LYS HG2 H 1.405 0.020 1 742 81 81 LYS HG3 H 1.486 0.020 1 743 81 81 LYS HD2 H 1.688 0.020 1 744 81 81 LYS HD3 H 1.688 0.020 1 745 81 81 LYS HE2 H 2.983 0.020 1 746 81 81 LYS HE3 H 2.983 0.020 1 747 81 81 LYS CA C 53.866 0.400 1 748 81 81 LYS CB C 33.442 0.400 1 749 81 81 LYS CG C 24.053 0.400 1 750 81 81 LYS CD C 28.260 0.400 1 751 81 81 LYS CE C 41.453 0.400 1 752 81 81 LYS N N 117.339 0.400 1 753 82 82 ILE H H 9.201 0.020 1 754 82 82 ILE HA H 3.972 0.020 1 755 82 82 ILE HB H 1.869 0.020 1 756 82 82 ILE HG12 H 1.042 0.020 2 757 82 82 ILE HG13 H 1.042 0.020 2 758 82 82 ILE HG2 H 0.790 0.020 1 759 82 82 ILE HD1 H 0.954 0.020 1 760 82 82 ILE CA C 61.457 0.400 1 761 82 82 ILE CB C 35.692 0.400 1 762 82 82 ILE CG1 C 26.685 0.400 1 763 82 82 ILE CG2 C 15.707 0.400 1 764 82 82 ILE CD1 C 12.561 0.400 1 765 82 82 ILE N N 126.103 0.400 1 766 83 83 SER H H 7.421 0.020 1 767 83 83 SER HA H 4.570 0.020 1 768 83 83 SER HB2 H 3.956 0.020 1 769 83 83 SER HB3 H 3.560 0.020 1 770 83 83 SER CA C 55.560 0.400 1 771 83 83 SER CB C 63.852 0.400 1 772 83 83 SER N N 119.780 0.400 1 773 84 84 THR H H 8.703 0.020 1 774 84 84 THR HA H 4.240 0.020 1 775 84 84 THR HB H 4.435 0.020 1 776 84 84 THR HG2 H 1.270 0.020 1 777 84 84 THR CA C 63.400 0.400 1 778 84 84 THR CB C 67.971 0.400 1 779 84 84 THR CG2 C 21.347 0.400 1 780 84 84 THR N N 113.742 0.400 1 781 85 85 THR H H 8.034 0.020 1 782 85 85 THR HA H 4.441 0.020 1 783 85 85 THR HB H 4.473 0.020 1 784 85 85 THR HG1 H 5.012 0.020 1 785 85 85 THR HG2 H 1.167 0.020 1 786 85 85 THR CA C 60.606 0.400 1 787 85 85 THR CB C 68.446 0.400 1 788 85 85 THR CG2 C 20.673 0.400 1 789 85 85 THR N N 108.994 0.400 1 790 86 86 THR H H 7.094 0.020 1 791 86 86 THR HA H 3.869 0.020 1 792 86 86 THR HB H 4.059 0.020 1 793 86 86 THR HG2 H 1.155 0.020 1 794 86 86 THR CA C 63.395 0.400 1 795 86 86 THR CB C 69.597 0.400 1 796 86 86 THR CG2 C 21.155 0.400 1 797 86 86 THR N N 120.666 0.400 1 798 87 87 ASN H H 8.758 0.020 1 799 87 87 ASN HA H 4.864 0.020 1 800 87 87 ASN HB2 H 2.720 0.020 1 801 87 87 ASN HB3 H 3.131 0.020 1 802 87 87 ASN HD21 H 7.556 0.020 1 803 87 87 ASN HD22 H 7.053 0.020 1 804 87 87 ASN CA C 50.689 0.400 1 805 87 87 ASN CB C 37.072 0.400 1 806 87 87 ASN N N 124.625 0.400 1 807 87 87 ASN ND2 N 111.645 0.400 1 808 88 88 CYS H H 8.787 0.020 1 809 88 88 CYS HA H 4.283 0.020 1 810 88 88 CYS HB2 H 2.856 0.020 1 811 88 88 CYS HB3 H 3.037 0.020 1 812 88 88 CYS CA C 55.921 0.400 1 813 88 88 CYS CB C 38.389 0.400 1 814 88 88 CYS N N 123.141 0.400 1 815 89 89 ASN H H 8.354 0.020 1 816 89 89 ASN HA H 4.640 0.020 1 817 89 89 ASN HB2 H 2.896 0.020 2 818 89 89 ASN HB3 H 2.896 0.020 2 819 89 89 ASN HD21 H 7.599 0.020 1 820 89 89 ASN HD22 H 6.980 0.020 1 821 89 89 ASN CA C 54.137 0.400 1 822 89 89 ASN CB C 37.733 0.400 1 823 89 89 ASN N N 115.215 0.400 1 824 89 89 ASN ND2 N 112.976 0.400 1 825 90 90 THR H H 7.426 0.020 1 826 90 90 THR HA H 4.436 0.020 1 827 90 90 THR HB H 4.445 0.020 1 828 90 90 THR HG2 H 1.112 0.020 1 829 90 90 THR CA C 60.400 0.400 1 830 90 90 THR CB C 68.312 0.400 1 831 90 90 THR CG2 C 20.587 0.400 1 832 90 90 THR N N 107.951 0.400 1 833 91 91 VAL H H 6.937 0.020 1 834 91 91 VAL HA H 3.757 0.020 1 835 91 91 VAL HB H 1.679 0.020 1 836 91 91 VAL HG1 H 0.317 0.020 1 837 91 91 VAL HG2 H 0.864 0.020 1 838 91 91 VAL CA C 61.847 0.400 1 839 91 91 VAL CB C 31.984 0.400 1 840 91 91 VAL CG1 C 20.616 0.400 1 841 91 91 VAL CG2 C 21.056 0.400 1 842 91 91 VAL N N 122.911 0.400 1 843 92 92 LYS H H 8.204 0.020 1 844 92 92 LYS HA H 4.381 0.020 1 845 92 92 LYS HB2 H 1.683 0.020 1 846 92 92 LYS HB3 H 1.813 0.020 1 847 92 92 LYS HG2 H 1.373 0.020 1 848 92 92 LYS HG3 H 1.427 0.020 1 849 92 92 LYS HD2 H 1.765 0.020 1 850 92 92 LYS HD3 H 1.765 0.020 1 851 92 92 LYS HE2 H 3.011 0.020 1 852 92 92 LYS HE3 H 3.011 0.020 1 853 92 92 LYS HZ H 7.892 0.020 1 854 92 92 LYS CA C 54.742 0.400 1 855 92 92 LYS CB C 31.422 0.400 1 856 92 92 LYS CG C 23.878 0.400 1 857 92 92 LYS CD C 23.901 0.400 1 858 92 92 LYS CE C 41.541 0.400 1 859 92 92 LYS N N 126.987 0.400 1 860 93 93 PHE H H 7.838 0.020 1 861 93 93 PHE HA H 4.377 0.020 1 862 93 93 PHE HB2 H 2.830 0.020 1 863 93 93 PHE HB3 H 3.267 0.020 1 864 93 93 PHE HD1 H 7.316 0.020 1 865 93 93 PHE HD2 H 7.316 0.020 1 866 93 93 PHE HE1 H 7.154 0.020 1 867 93 93 PHE HE2 H 7.154 0.020 1 868 93 93 PHE HZ H 7.100 0.020 1 869 93 93 PHE CA C 59.504 0.400 1 870 93 93 PHE CB C 40.140 0.400 1 871 93 93 PHE N N 128.668 0.400 1 stop_ save_