data_15952 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; S100A13-C2A ; _BMRB_accession_number 15952 _BMRB_flat_file_name bmr15952.str _Entry_type original _Submission_date 2008-09-15 _Accession_date 2008-09-15 _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 Mohan Sepuru K. . 2 Rani Sandhya G. . 3 Kumar Sriramoju M. . 4 Yu Chin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 735 "13C chemical shifts" 529 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity/assembly name' 2009-03-23 update BMRB 'complete entry citation' 2009-03-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_S100A13-C2A _Saveframe_category entry_citation _Citation_full . _Citation_title ; S100A13-C2A binary complex structure-a key component in the acidic fibroblast growth factor for the non-classical pathway ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19284995 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mohan Sepuru K. . 2 Rani Sandhya G. . 3 Kumar Sriramoju M. . 4 Yu Chin . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and Biophysical Research Communications' _Journal_volume 380 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 514 _Page_last 519 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'S100A13-C2A binary complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1_1 $entity_1 entity_2_1 $entity_2 entity_2_2 $entity_2 entity_1_2 $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C2A domain' _Molecular_mass 14784.028 _Mol_thiol_state 'not present' loop_ _Biological_function 'protein transport' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; EKLGKLQYSLDYDFQNNQLL VGIIQAAELPALDMGGTSDP YVKVFLLPDKKKKFETKVHR KTLNPVFNEQFTFKVPYSEL GGKTLVMAVYDFDRFSKHDI IGEFKVPMNTVDFGHVTEEW RDLQSAEK ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 LYS 3 LEU 4 GLY 5 LYS 6 LEU 7 GLN 8 TYR 9 SER 10 LEU 11 ASP 12 TYR 13 ASP 14 PHE 15 GLN 16 ASN 17 ASN 18 GLN 19 LEU 20 LEU 21 VAL 22 GLY 23 ILE 24 ILE 25 GLN 26 ALA 27 ALA 28 GLU 29 LEU 30 PRO 31 ALA 32 LEU 33 ASP 34 MET 35 GLY 36 GLY 37 THR 38 SER 39 ASP 40 PRO 41 TYR 42 VAL 43 LYS 44 VAL 45 PHE 46 LEU 47 LEU 48 PRO 49 ASP 50 LYS 51 LYS 52 LYS 53 LYS 54 PHE 55 GLU 56 THR 57 LYS 58 VAL 59 HIS 60 ARG 61 LYS 62 THR 63 LEU 64 ASN 65 PRO 66 VAL 67 PHE 68 ASN 69 GLU 70 GLN 71 PHE 72 THR 73 PHE 74 LYS 75 VAL 76 PRO 77 TYR 78 SER 79 GLU 80 LEU 81 GLY 82 GLY 83 LYS 84 THR 85 LEU 86 VAL 87 MET 88 ALA 89 VAL 90 TYR 91 ASP 92 PHE 93 ASP 94 ARG 95 PHE 96 SER 97 LYS 98 HIS 99 ASP 100 ILE 101 ILE 102 GLY 103 GLU 104 PHE 105 LYS 106 VAL 107 PRO 108 MET 109 ASN 110 THR 111 VAL 112 ASP 113 PHE 114 GLY 115 HIS 116 VAL 117 THR 118 GLU 119 GLU 120 TRP 121 ARG 122 ASP 123 LEU 124 GLN 125 SER 126 ALA 127 GLU 128 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 BMRB 15785 C2A 100.00 128 100.00 100.00 8.23e-88 BMRB 17102 C2A 98.44 143 99.21 100.00 1.16e-85 BMRB 4039 "synaptotagmin I C2A" 100.00 128 100.00 100.00 8.23e-88 BMRB 4041 "synaptotagmin I C2A" 100.00 128 100.00 100.00 8.23e-88 BMRB 4166 "C2A domain of synaptotagmin I" 100.00 128 99.22 100.00 2.65e-87 BMRB 4167 "C2A domain of synaptotagmin I" 100.00 128 99.22 100.00 2.65e-87 PDB 1BYN "Solution Structure Of The Calcium-Bound First C2-Domain Of Synaptotagmin I" 100.00 128 100.00 100.00 8.23e-88 PDB 1RSY "Structure Of The First C2-domain Of Synaptotagmin I: A Novel Ca2+(slash)phospholipid Binding Fold" 99.22 152 100.00 100.00 5.52e-87 PDB 2K45 "C2a Domain Of Synaptototagmin I Solution Structure In The Fgf-1-C2a Binary Complex: Key Component In The Fibroblast Growthfacto" 100.00 128 100.00 100.00 8.23e-88 PDB 2K4A "Fgf-1-C2a Binary Complex Structure: A Key Component In The Fibroblast Growthfactor Non-Classical Pathway" 100.00 128 100.00 100.00 8.23e-88 PDB 2K8M "S100a13-C2a Binary Complex Structure" 100.00 128 100.00 100.00 8.23e-88 PDB 2KI6 "The Fgf1-S100a13-C2a Hetero-Hexameric Complex Structure: A C In The Non-Classical Pathway For Fgf1 Secretion" 100.00 128 100.00 100.00 8.23e-88 PDB 3F00 "Crystal Structure Of Synaptotagmin I C2a Domain With Cu(Ii)" 98.44 143 100.00 100.00 3.84e-86 PDB 3F01 "Crystal Structure Of Synaptotagmin I C2a Domain With Cu(Ii)" 98.44 143 100.00 100.00 3.37e-86 PDB 3F04 "Crystal Structure Of Synaptotagmin I C2a Domain" 98.44 143 100.00 100.00 3.37e-86 PDB 3F05 "Crystal Structure Of Synaptotagmin I C2a Domain With Mn(Ii)" 98.44 143 100.00 100.00 3.37e-86 GB AAK15077 "synaptotagmin I variant b [Bos taurus]" 100.00 279 100.00 100.00 5.39e-87 GB ELW70522 "Synaptotagmin-1 [Tupaia chinensis]" 100.00 395 100.00 100.00 2.09e-85 GB EPY85163 "synaptotagmin-1 [Camelus ferus]" 100.00 277 100.00 100.00 6.02e-87 GB KFO26677 "Synaptotagmin-1 [Fukomys damarensis]" 100.00 338 100.00 100.00 2.46e-86 GB KFP32561 "Synaptotagmin-1, partial [Colius striatus]" 58.59 217 97.33 100.00 1.85e-43 REF XP_005976391 "PREDICTED: synaptotagmin-1-like [Pantholops hodgsonii]" 100.00 279 100.00 100.00 4.29e-87 REF XP_010164835 "PREDICTED: synaptotagmin-1-like, partial [Caprimulgus carolinensis]" 57.81 179 97.30 100.00 4.27e-43 REF XP_010202276 "PREDICTED: synaptotagmin-1, partial [Colius striatus]" 57.81 216 97.30 100.00 9.15e-43 REF XP_010211789 "PREDICTED: synaptotagmin-1-like, partial [Tinamus guttatus]" 85.94 249 97.27 99.09 3.81e-71 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common S100A13 _Molecular_mass 11490.304 _Mol_thiol_state 'not present' loop_ _Biological_function 'protein transport' stop_ _Details . _Residue_count 98 _Mol_residue_sequence ; MAAEPLTELEESIETVVTTF FTFARQEGRKDSLSVNEFKE LVTQQLPHLLKDVGSLDEKM KSLDVNQDSELKFNEYWRLI GELAKEIRKKKDLKIRKK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 GLU 5 PRO 6 LEU 7 THR 8 GLU 9 LEU 10 GLU 11 GLU 12 SER 13 ILE 14 GLU 15 THR 16 VAL 17 VAL 18 THR 19 THR 20 PHE 21 PHE 22 THR 23 PHE 24 ALA 25 ARG 26 GLN 27 GLU 28 GLY 29 ARG 30 LYS 31 ASP 32 SER 33 LEU 34 SER 35 VAL 36 ASN 37 GLU 38 PHE 39 LYS 40 GLU 41 LEU 42 VAL 43 THR 44 GLN 45 GLN 46 LEU 47 PRO 48 HIS 49 LEU 50 LEU 51 LYS 52 ASP 53 VAL 54 GLY 55 SER 56 LEU 57 ASP 58 GLU 59 LYS 60 MET 61 LYS 62 SER 63 LEU 64 ASP 65 VAL 66 ASN 67 GLN 68 ASP 69 SER 70 GLU 71 LEU 72 LYS 73 PHE 74 ASN 75 GLU 76 TYR 77 TRP 78 ARG 79 LEU 80 ILE 81 GLY 82 GLU 83 LEU 84 ALA 85 LYS 86 GLU 87 ILE 88 ARG 89 LYS 90 LYS 91 LYS 92 ASP 93 LEU 94 LYS 95 ILE 96 ARG 97 LYS 98 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 BMRB 6531 A13 100.00 98 100.00 100.00 4.44e-62 BMRB 6532 A13 100.00 98 100.00 100.00 4.44e-62 PDB 1YUR "Solution Structure Of Apo-S100a13 (Minimized Mean Structure)" 100.00 98 100.00 100.00 4.44e-62 PDB 1YUS "Solution Structure Of Apo-S100a13" 100.00 98 100.00 100.00 4.44e-62 PDB 1YUT "Solution Structure Of Calcium-s100a13 (minimized Mean Structure)" 100.00 98 100.00 100.00 4.44e-62 PDB 1YUU "Solution Structure Of Calcium-s100a13" 100.00 98 100.00 100.00 4.44e-62 PDB 2EGD "Crystal Structure Of Human S100a13 In The Ca2+-Bound State" 100.00 98 100.00 100.00 4.44e-62 PDB 2H2K "Crystal Structure Analysis Of Human S100a13" 100.00 106 100.00 100.00 1.88e-62 PDB 2K8M "S100a13-C2a Binary Complex Structure" 100.00 98 100.00 100.00 4.44e-62 PDB 2KI4 "Fgf1-S100a13 Complex Structure: Key Component In Non-Classic Way Of Fgf1" 97.96 98 100.00 100.00 7.08e-61 PDB 2KI6 "The Fgf1-S100a13-C2a Hetero-Hexameric Complex Structure: A C In The Non-Classical Pathway For Fgf1 Secretion" 97.96 98 100.00 100.00 7.08e-61 PDB 2KOT "Solution Structure Of S100a13 With A Drug Amlexanox" 100.00 98 100.00 100.00 4.44e-62 PDB 2L5X "Solution Structure Of Il1a-S100a13 Complex" 100.00 98 100.00 100.00 4.44e-62 PDB 2LE9 "Ragec2-S100a13 Tetrameric Complex" 98.98 97 100.00 100.00 3.46e-61 DBJ BAG74209 "S100 calcium binding protein A13 [synthetic construct]" 100.00 98 100.00 100.00 4.44e-62 EMBL CAA68188 "S100 calcium-binding protein A13 (S100A13) [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 EMBL CAG46946 "S100A13 [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 GB AAH00632 "S100 calcium binding protein A13 [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 GB AAH68064 "S100 calcium binding protein A13 [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 GB AAH70291 "S100 calcium binding protein A13 [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 GB AAP35370 "S100 calcium binding protein A13 [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 GB AAP36320 "Homo sapiens S100 calcium binding protein A13 [synthetic construct]" 100.00 99 100.00 100.00 4.11e-62 REF NP_001019381 "protein S100-A13 [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 REF NP_001019382 "protein S100-A13 [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 REF NP_001019383 "protein S100-A13 [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 REF NP_001019384 "protein S100-A13 [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 REF NP_005970 "protein S100-A13 [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 SP Q99584 "RecName: Full=Protein S100-A13; AltName: Full=S100 calcium-binding protein A13 [Homo sapiens]" 100.00 98 100.00 100.00 4.44e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pGEX $entity_2 'recombinant technology' . Escherichia coli . pGEX 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 $entity_1 1.4 mM '[U-13C; U-15N]' $entity_2 1.4 mM '[U-13C; U-15N]' 'sodium phosphate' 25 mM . 'sodium chloride' 100 mM . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version '1.2 &2.2' loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_13C-filterNOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-filterNOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25mM PBS 100mM NaCl 2mM CaCl2 Conc 1.4 mM' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 5.7 . 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 dioxane C 13 'methyl carbons' ppm 0 internal direct . . . 1.0 TSP H 1 'methylene protons' ppm 0 internal direct . . . 1.0 TSP N 15 nitrogen ppm 0 internal direct . . . 1.0 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_chemical_shift_set _Saveframe_category assigned_chemical_shifts _Details 'Derived from the file: /home/krishna/C2A/run27/data/15N/15N.ppm' loop_ _Software_label $CNS $ARIA stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLU H H 8.444 0.01 . 2 1 1 GLU HA H 4.252 0.01 . 3 1 1 GLU HB2 H 1.909 0.01 . 4 1 1 GLU HB3 H 1.998 0.01 . 5 1 1 GLU HG2 H 2.24 0.01 . 6 1 1 GLU HG3 H 2.153 0.01 . 7 1 1 GLU C C 175.402 0.03 . 8 1 1 GLU CA C 55.78 0.03 . 9 1 1 GLU CB C 29.71 0.03 . 10 1 1 GLU CG C 35.83 0.03 . 11 1 1 GLU N N 124.7 0.04 . 12 2 2 LYS H H 8.32 0.01 . 13 2 2 LYS HA H 4.413 0.01 . 14 2 2 LYS HB2 H 1.761 0.01 . 15 2 2 LYS HB3 H 1.761 0.01 . 16 2 2 LYS HD2 H 1.622 0.01 . 17 2 2 LYS HD3 H 1.622 0.01 . 18 2 2 LYS HE2 H 2.932 0.01 . 19 2 2 LYS HE3 H 2.932 0.01 . 20 2 2 LYS HG2 H 1.357 0.01 . 21 2 2 LYS HG3 H 1.44 0.01 . 22 2 2 LYS C C 176.041 0.03 . 23 2 2 LYS CA C 55.55 0.03 . 24 2 2 LYS CB C 31.73 0.03 . 25 2 2 LYS CD C 28.62 0.03 . 26 2 2 LYS CE C 42.38 0.03 . 27 2 2 LYS CG C 24.57 0.03 . 28 2 2 LYS N N 123.2 0.04 . 29 3 3 LEU H H 8.319 0.01 . 30 3 3 LEU HA H 4.363 0.01 . 31 3 3 LEU HB2 H 1.506 0.01 . 32 3 3 LEU HB3 H 1.506 0.01 . 33 3 3 LEU HD1 H 0.75384 0.01 . 34 3 3 LEU HD2 H 0.7534 0.01 . 35 3 3 LEU HG H 1.429 0.01 . 36 3 3 LEU C C 173.289 0.03 . 37 3 3 LEU CA C 53.8 0.03 . 38 3 3 LEU CB C 43.351 0.03 . 39 3 3 LEU CD1 C 24.28 0.03 . 40 3 3 LEU CD2 C 21.24 0.03 . 41 3 3 LEU CG C 26.31 0.03 . 42 3 3 LEU N N 124.7 0.04 . 43 4 4 GLY H H 7.412 0.01 . 44 4 4 GLY HA2 H 3.662 0.01 . 45 4 4 GLY HA3 H 4.367 0.01 . 46 4 4 GLY C C 174.476 0.03 . 47 4 4 GLY CA C 44.232 0.03 . 48 4 4 GLY N N 102.1 0.04 . 49 5 5 LYS H H 8.748 0.01 . 50 5 5 LYS HA H 5.333 0.01 . 51 5 5 LYS HB2 H 1.544 0.01 . 52 5 5 LYS HB3 H 2.093 0.01 . 53 5 5 LYS HD2 H 1.17 0.01 . 54 5 5 LYS HD3 H 1.2844 0.01 . 55 5 5 LYS HE3 H 2.014 0.01 . 56 5 5 LYS HG2 H 1.31 0.01 . 57 5 5 LYS HG3 H 1.375 0.01 . 58 5 5 LYS C C 173.762 0.03 . 59 5 5 LYS CA C 54.807 0.03 . 60 5 5 LYS CB C 36.664 0.03 . 61 5 5 LYS CD C 29.3 0.03 . 62 5 5 LYS CE C 40.97 0.03 . 63 5 5 LYS CG C 23.52 0.03 . 64 5 5 LYS N N 114.993 0.04 . 65 6 6 LEU H H 9.058 0.01 . 66 6 6 LEU HA H 5.312 0.01 . 67 6 6 LEU HB2 H 1.371 0.01 . 68 6 6 LEU HB3 H 1.924 0.01 . 69 6 6 LEU HD1 H 0.8772 0.01 . 70 6 6 LEU HD2 H 0.8772 0.01 . 71 6 6 LEU HG H 1.73 0.01 . 72 6 6 LEU C C 172.524 0.03 . 73 6 6 LEU CA C 53.76 0.03 . 74 6 6 LEU CB C 47.948 0.03 . 75 6 6 LEU CD1 C 24.72 0.03 . 76 6 6 LEU CD2 C 26.42 0.03 . 77 6 6 LEU CG C 27.07 0.03 . 78 6 6 LEU N N 122.195 0.04 . 79 7 7 GLN H H 8.945 0.01 . 80 7 7 GLN HA H 5.17 0.01 . 81 7 7 GLN HB2 H 1.24 0.01 . 82 7 7 GLN HB3 H 1.239 0.01 . 83 7 7 GLN HE21 H 6.385 0.01 . 84 7 7 GLN HE22 H 6.192 0.01 . 85 7 7 GLN HG2 H 2.36 0.01 . 86 7 7 GLN HG3 H 1.293 0.01 . 87 7 7 GLN C C 173.707 0.03 . 88 7 7 GLN CA C 52.595 0.03 . 89 7 7 GLN CB C 28.032 0.03 . 90 7 7 GLN CG C 32.28 0.03 . 91 7 7 GLN N N 127.8 0.04 . 92 7 7 GLN NE2 N 109.1 0.04 . 93 8 8 TYR H H 8.445 0.01 . 94 8 8 TYR HA H 5.401 0.01 . 95 8 8 TYR HB2 H 2.703 0.01 . 96 8 8 TYR HB3 H 3.296 0.01 . 97 8 8 TYR C C 171.582 0.03 . 98 8 8 TYR CA C 54.578 0.03 . 99 8 8 TYR CB C 42.236 0.03 . 100 8 8 TYR N N 125.7 0.04 . 101 9 9 SER H H 9.486 0.01 . 102 9 9 SER HA H 5.4 0.01 . 103 9 9 SER HB2 H 3.534 0.01 . 104 9 9 SER HB3 H 3.792 0.01 . 105 9 9 SER C C 173.486 0.03 . 106 9 9 SER CA C 55.195 0.03 . 107 9 9 SER CB C 67.116 0.03 . 108 9 9 SER N N 113.3 0.04 . 109 10 10 LEU H H 8.698 0.01 . 110 10 10 LEU HA H 5.471 0.01 . 111 10 10 LEU HB2 H 1.516 0.01 . 112 10 10 LEU HB3 H 1.813 0.01 . 113 10 10 LEU HD1 H 1.099 0.01 . 114 10 10 LEU HD2 H 0.9949 0.01 . 115 10 10 LEU HG H 1.85 0.01 . 116 10 10 LEU C C 174.64 0.03 . 117 10 10 LEU CA C 53.388 0.03 . 118 10 10 LEU CB C 46.946 0.03 . 119 10 10 LEU CD1 C 25.62 0.03 . 120 10 10 LEU CD2 C 27.5 0.03 . 121 10 10 LEU CG C 26.71 0.03 . 122 10 10 LEU N N 120.7 0.04 . 123 11 11 ASP H H 8.673 0.01 . 124 11 11 ASP HA H 5.126 0.01 . 125 11 11 ASP HB2 H 2.492 0.01 . 126 11 11 ASP HB3 H 2.739 0.01 . 127 11 11 ASP C C 173.093 0.03 . 128 11 11 ASP CA C 52.525 0.03 . 129 11 11 ASP CB C 44.683 0.03 . 130 11 11 ASP N N 119.76 0.04 . 131 12 12 TYR H H 8.898 0.01 . 132 12 12 TYR HA H 4.609 0.01 . 133 12 12 TYR HB2 H 1.783 0.01 . 134 12 12 TYR HB3 H 2.07 0.01 . 135 12 12 TYR HD1 H 5.35 0.01 . 136 12 12 TYR HE1 H 7.09 0.01 . 137 12 12 TYR C C 171.962 0.03 . 138 12 12 TYR CA C 57.883 0.03 . 139 12 12 TYR CB C 40.054 0.03 . 140 12 12 TYR N N 124.2 0.04 . 141 13 13 ASP H H 8.018 0.01 . 142 13 13 ASP HA H 4.591 0.01 . 143 13 13 ASP HB2 H 2.38 0.01 . 144 13 13 ASP HB3 H 2.615 0.01 . 145 13 13 ASP C C 175.599 0.03 . 146 13 13 ASP CA C 51.141 0.03 . 147 13 13 ASP CB C 40.891 0.03 . 148 13 13 ASP N N 126.4 0.04 . 149 14 14 PHE H H 8.54 0.01 . 150 14 14 PHE HA H 4.187 0.01 . 151 14 14 PHE HB2 H 2.85 0.01 . 152 14 14 PHE HB3 H 3.187 0.01 . 153 14 14 PHE C C 176.704 0.03 . 154 14 14 PHE CA C 60.734 0.03 . 155 14 14 PHE CB C 38.821 0.03 . 156 14 14 PHE N N 123.575 0.04 . 157 15 15 GLN H H 8.307 0.01 . 158 15 15 GLN HA H 4.15 0.01 . 159 15 15 GLN HB2 H 2.03 0.01 . 160 15 15 GLN HB3 H 2.124 0.01 . 161 15 15 GLN HE21 H 7.51 0.01 . 162 15 15 GLN HE22 H 6.963 0.01 . 163 15 15 GLN HG2 H 2.269 0.01 . 164 15 15 GLN HG3 H 2.269 0.01 . 165 15 15 GLN C C 176.646 0.03 . 166 15 15 GLN CA C 57.927 0.03 . 167 15 15 GLN CB C 28.129 0.03 . 168 15 15 GLN CG C 33.65 0.03 . 169 15 15 GLN N N 118.5 0.04 . 170 15 15 GLN NE2 N 112.5 0.04 . 171 16 16 ASN H H 7.347 0.01 . 172 16 16 ASN HA H 4.682 0.01 . 173 16 16 ASN HB2 H 2.105 0.01 . 174 16 16 ASN HB3 H 2.484 0.01 . 175 16 16 ASN HD21 H 8.599 0.01 . 176 16 16 ASN HD22 H 6.885 0.01 . 177 16 16 ASN C C 173.191 0.03 . 178 16 16 ASN CA C 52.051 0.03 . 179 16 16 ASN CB C 39.238 0.03 . 180 16 16 ASN N N 113.392 0.04 . 181 16 16 ASN ND2 N 118.2 0.04 . 182 17 17 ASN H H 7.682 0.01 . 183 17 17 ASN HA H 4.3 0.01 . 184 17 17 ASN HB2 H 2.568 0.01 . 185 17 17 ASN HB3 H 2.509 0.01 . 186 17 17 ASN HD21 H 7.296 0.01 . 187 17 17 ASN HD22 H 6.928 0.01 . 188 17 17 ASN C C 175.797 0.03 . 189 17 17 ASN CA C 54.524 0.03 . 190 17 17 ASN CB C 36.825 0.03 . 191 17 17 ASN N N 118.2 0.04 . 192 17 17 ASN ND2 N 113.7 0.04 . 193 18 18 GLN H H 6.757 0.01 . 194 18 18 GLN HA H 4.911 0.01 . 195 18 18 GLN HB2 H 1.358 0.01 . 196 18 18 GLN HB3 H 1.728 0.01 . 197 18 18 GLN HE21 H 7.163 0.01 . 198 18 18 GLN HE22 H 6.718 0.01 . 199 18 18 GLN HG2 H 1.731 0.01 . 200 18 18 GLN HG3 H 2.08 0.01 . 201 18 18 GLN C C 171.717 0.03 . 202 18 18 GLN CA C 52.888 0.03 . 203 18 18 GLN CB C 31.353 0.03 . 204 18 18 GLN CG C 33.8 0.03 . 205 18 18 GLN N N 110.518 0.04 . 206 18 18 GLN NE2 N 109.8 0.04 . 207 19 19 LEU H H 9.048 0.01 . 208 19 19 LEU HA H 4.543 0.01 . 209 19 19 LEU HB2 H 1.815 0.01 . 210 19 19 LEU HB3 H 2.117 0.01 . 211 19 19 LEU HD1 H 1.1184 0.01 . 212 19 19 LEU HD2 H 0.825 0.01 . 213 19 19 LEU HG H 1.645 0.01 . 214 19 19 LEU C C 173.731 0.03 . 215 19 19 LEU CA C 53.873 0.03 . 216 19 19 LEU CB C 44.558 0.03 . 217 19 19 LEU CD1 C 23.74 0.03 . 218 19 19 LEU CD2 C 26.34 0.03 . 219 19 19 LEU CG C 26.8 0.03 . 220 19 19 LEU N N 124.4 0.04 . 221 20 20 LEU H H 9.021 0.01 . 222 20 20 LEU HA H 4.852 0.01 . 223 20 20 LEU HB2 H 1.206 0.01 . 224 20 20 LEU HB3 H 1.619 0.01 . 225 20 20 LEU HD1 H 0.6895 0.01 . 226 20 20 LEU HD2 H 0.6216 0.01 . 227 20 20 LEU HG H 1.363 0.01 . 228 20 20 LEU C C 175.696 0.03 . 229 20 20 LEU CA C 53.695 0.03 . 230 20 20 LEU CB C 41.956 0.03 . 231 20 20 LEU CD1 C 24.75 0.03 . 232 20 20 LEU CD2 C 24.16 0.03 . 233 20 20 LEU CG C 26.92 0.03 . 234 20 20 LEU N N 128.415 0.04 . 235 21 21 VAL H H 9.073 0.01 . 236 21 21 VAL HA H 4.853 0.01 . 237 21 21 VAL HB H 2.11 0.01 . 238 21 21 VAL HG1 H 0.993 0.01 . 239 21 21 VAL HG2 H 0.993 0.01 . 240 21 21 VAL C C 173.979 0.03 . 241 21 21 VAL CA C 60.511 0.03 . 242 21 21 VAL CB C 45.331 0.03 . 243 21 21 VAL CG1 C 21.13 0.03 . 244 21 21 VAL CG2 C 21.13 0.03 . 245 21 21 VAL N N 125.838 0.04 . 246 22 22 GLY H H 9.486 0.01 . 247 22 22 GLY HA2 H 3.52 0.01 . 248 22 22 GLY HA3 H 4.653 0.01 . 249 22 22 GLY C C 172.485 0.03 . 250 22 22 GLY CA C 43.843 0.03 . 251 22 22 GLY N N 117.254 0.04 . 252 23 23 ILE H H 8.831 0.01 . 253 23 23 ILE HA H 4.33 0.01 . 254 23 23 ILE HB H 1.883 0.01 . 255 23 23 ILE HD1 H 0.6723 0.01 . 256 23 23 ILE HG12 H 1.116 0.01 . 257 23 23 ILE HG13 H 1.476 0.01 . 258 23 23 ILE HG2 H 0.52 0.01 . 259 23 23 ILE C C 174.346 0.03 . 260 23 23 ILE CA C 58.182 0.03 . 261 23 23 ILE CB C 35.29 0.03 . 262 23 23 ILE CD1 C 10.64 0.03 . 263 23 23 ILE CG1 C 26.49 0.03 . 264 23 23 ILE CG2 C 17.87 0.03 . 265 23 23 ILE N N 125.106 0.04 . 266 24 24 ILE H H 8.365 0.01 . 267 24 24 ILE HA H 3.903 0.01 . 268 24 24 ILE HB H 1.264 0.01 . 269 24 24 ILE HD1 H 0.3936 0.01 . 270 24 24 ILE HG12 H 0.8623 0.01 . 271 24 24 ILE HG13 H 1.269 0.01 . 272 24 24 ILE HG2 H 0.6853 0.01 . 273 24 24 ILE C C 177.149 0.03 . 274 24 24 ILE CA C 65.005 0.03 . 275 24 24 ILE CB C 37.79 0.03 . 276 24 24 ILE CD1 C 12.66 0.03 . 277 24 24 ILE CG1 C 27.72 0.03 . 278 24 24 ILE CG2 C 17.44 0.03 . 279 24 24 ILE N N 126.735 0.04 . 280 25 25 GLN H H 7.706 0.01 . 281 25 25 GLN HA H 5.123 0.01 . 282 25 25 GLN HB2 H 2.17 0.01 . 283 25 25 GLN HB3 H 2.13 0.01 . 284 25 25 GLN HE21 H 7.479 0.01 . 285 25 25 GLN HE22 H 6.932 0.01 . 286 25 25 GLN HG3 H 2.1 0.01 . 287 25 25 GLN C C 171.152 0.03 . 288 25 25 GLN CA C 54.295 0.03 . 289 25 25 GLN CB C 30.953 0.03 . 290 25 25 GLN CG C 31.57 0.03 . 291 25 25 GLN N N 110.662 0.04 . 292 25 25 GLN NE2 N 113.7 0.04 . 293 26 26 ALA H H 9.195 0.01 . 294 26 26 ALA HA H 5.74 0.01 . 295 26 26 ALA HB H 1.54 0.01 . 296 26 26 ALA C C 171.937 0.03 . 297 26 26 ALA CA C 49.951 0.03 . 298 26 26 ALA CB C 22.406 0.03 . 299 26 26 ALA N N 121.3 0.04 . 300 27 27 ALA H H 9.118 0.01 . 301 27 27 ALA HA H 5.353 0.01 . 302 27 27 ALA HB H 1.319 0.01 . 303 27 27 ALA C C 174.984 0.03 . 304 27 27 ALA CA C 50.524 0.03 . 305 27 27 ALA CB C 24.047 0.03 . 306 27 27 ALA N N 120.1 0.04 . 307 28 28 GLU H H 8.453 0.01 . 308 28 28 GLU HA H 3.648 0.01 . 309 28 28 GLU HB2 H 2.064 0.01 . 310 28 28 GLU HB3 H 2.064 0.01 . 311 28 28 GLU HG2 H 2.01 0.01 . 312 28 28 GLU HG3 H 2.07 0.01 . 313 28 28 GLU C C 174.427 0.03 . 314 28 28 GLU CA C 56.032 0.03 . 315 28 28 GLU CB C 25.966 0.03 . 316 28 28 GLU CG C 36.48 0.03 . 317 28 28 GLU N N 112.6 0.04 . 318 29 29 LEU H H 7.951 0.01 . 319 29 29 LEU HA H 4.33 0.01 . 320 29 29 LEU HB2 H 1.27 0.01 . 321 29 29 LEU HB3 H 1.71 0.01 . 322 29 29 LEU HD1 H 0.908 0.01 . 323 29 29 LEU HD2 H 0.72 0.01 . 324 29 29 LEU HG H 1.678 0.01 . 325 29 29 LEU C C 173.8 0.03 . 326 29 29 LEU CA C 53.295 0.03 . 327 29 29 LEU CB C 39.64 0.03 . 328 29 29 LEU CD1 C 22.2 0.03 . 329 29 29 LEU CD2 C 26.4 0.03 . 330 29 29 LEU CG C 26.4 0.03 . 331 29 29 LEU N N 116.093 0.04 . 332 30 30 PRO HA H 4.327 0.01 . 333 30 30 PRO HB2 H 1.621 0.01 . 334 30 30 PRO HB3 H 2.187 0.01 . 335 30 30 PRO HD2 H 3.311 0.01 . 336 30 30 PRO HD3 H 3.68 0.01 . 337 30 30 PRO HG2 H 1.903 0.01 . 338 30 30 PRO HG3 H 1.957 0.01 . 339 30 30 PRO C C 175.525 0.03 . 340 30 30 PRO CA C 61.76 0.03 . 341 30 30 PRO CB C 31.492 0.03 . 342 30 30 PRO CD C 49.22 0.03 . 343 30 30 PRO CG C 27.5 0.03 . 344 31 31 ALA H H 8.128 0.01 . 345 31 31 ALA HA H 4.13 0.01 . 346 31 31 ALA HB H 1.15 0.01 . 347 31 31 ALA C C 177.222 0.03 . 348 31 31 ALA CA C 50.604 0.03 . 349 31 31 ALA CB C 18.576 0.03 . 350 31 31 ALA N N 122.487 0.04 . 351 32 32 LEU H H 8.035 0.01 . 352 32 32 LEU HA H 4.24 0.01 . 353 32 32 LEU HB2 H 1.531 0.01 . 354 32 32 LEU HB3 H 1.531 0.01 . 355 32 32 LEU HD1 H 0.7411 0.01 . 356 32 32 LEU HD2 H 0.713 0.01 . 357 32 32 LEU HG H 1.472 0.01 . 358 32 32 LEU C C 176.852 0.03 . 359 32 32 LEU CA C 55.041 0.03 . 360 32 32 LEU CB C 42.916 0.03 . 361 32 32 LEU CD1 C 24.53 0.03 . 362 32 32 LEU CD2 C 22.87 0.03 . 363 32 32 LEU CG C 27.43 0.03 . 364 32 32 LEU N N 124.4 0.04 . 365 33 33 ASP H H 8.4 0.01 . 366 33 33 ASP HA H 4.785 0.01 . 367 33 33 ASP HB2 H 2.706 0.01 . 368 33 33 ASP HB3 H 2.677 0.01 . 369 33 33 ASP C C 176.2 0.03 . 370 33 33 ASP CA C 52.948 0.03 . 371 33 33 ASP CB C 41.578 0.03 . 372 33 33 ASP N N 119.8 0.04 . 373 34 34 MET H H 8.492 0.01 . 374 34 34 MET HA H 4.213 0.01 . 375 34 34 MET HB2 H 2.056 0.01 . 376 34 34 MET HB3 H 2.056 0.01 . 377 34 34 MET HG2 H 2.486 0.01 . 378 34 34 MET HG3 H 2.543 0.01 . 379 34 34 MET C C 176.483 0.03 . 380 34 34 MET CA C 56.561 0.03 . 381 34 34 MET CB C 31.288 0.03 . 382 34 34 MET CG C 31.34 0.03 . 383 34 34 MET N N 120.0 0.04 . 384 35 35 GLY H H 8.668 0.01 . 385 35 35 GLY HA2 H 3.818 0.01 . 386 35 35 GLY HA3 H 4.039 0.01 . 387 35 35 GLY C C 174.831 0.03 . 388 35 35 GLY CA C 44.884 0.03 . 389 35 35 GLY N N 110.4 0.04 . 390 36 36 GLY H H 8.008 0.01 . 391 36 36 GLY HA2 H 3.861 0.01 . 392 36 36 GLY HA3 H 4.0 0.01 . 393 36 36 GLY C C 173.194 0.03 . 394 36 36 GLY CA C 45.427 0.03 . 395 36 36 GLY N N 107.4 0.04 . 396 37 37 THR H H 7.476 0.01 . 397 37 37 THR HA H 4.511 0.01 . 398 37 37 THR HB H 3.994 0.01 . 399 37 37 THR HG2 H 0.9872 0.01 . 400 37 37 THR C C 171.355 0.03 . 401 37 37 THR CA C 59.954 0.03 . 402 37 37 THR CB C 70.589 0.03 . 403 37 37 THR CG2 C 20.84 0.03 . 404 37 37 THR N N 111.1 0.04 . 405 38 38 SER H H 7.257 0.01 . 406 38 38 SER HA H 4.707 0.01 . 407 38 38 SER HB2 H 3.475 0.01 . 408 38 38 SER HB3 H 3.719 0.01 . 409 38 38 SER C C 170.198 0.03 . 410 38 38 SER CA C 57.664 0.03 . 411 38 38 SER N N 115.811 0.04 . 412 39 39 ASP H H 8.698 0.01 . 413 39 39 ASP HA H 5.94 0.01 . 414 39 39 ASP HB2 H 2.57 0.01 . 415 39 39 ASP HB3 H 3.14 0.01 . 416 39 39 ASP C C 172.5 0.03 . 417 39 39 ASP CA C 51.058 0.03 . 418 39 39 ASP CB C 42.21 0.03 . 419 39 39 ASP N N 121.288 0.04 . 420 40 40 PRO HA H 5.826 0.01 . 421 40 40 PRO HB2 H 1.706 0.01 . 422 40 40 PRO HB3 H 2.033 0.01 . 423 40 40 PRO HD2 H 3.579 0.01 . 424 40 40 PRO HD3 H 4.208 0.01 . 425 40 40 PRO HG2 H 1.664 0.01 . 426 40 40 PRO HG3 H 1.881 0.01 . 427 40 40 PRO C C 176.317 0.03 . 428 40 40 PRO CA C 62.44 0.03 . 429 40 40 PRO CB C 34.37 0.03 . 430 40 40 PRO CD C 50.01 0.03 . 431 40 40 PRO CG C 28.08 0.03 . 432 41 41 TYR H H 8.703 0.01 . 433 41 41 TYR HA H 4.795 0.01 . 434 41 41 TYR HB3 H 3.045 0.01 . 435 41 41 TYR HE1 H 6.65 0.01 . 436 41 41 TYR HE2 H 6.65 0.01 . 437 41 41 TYR C C 171.425 0.03 . 438 41 41 TYR CA C 56.15 0.03 . 439 41 41 TYR CB C 40.246 0.03 . 440 41 41 TYR N N 113.769 0.04 . 441 42 42 VAL H H 8.352 0.01 . 442 42 42 VAL HA H 5.02 0.01 . 443 42 42 VAL HB H 1.509 0.01 . 444 42 42 VAL HG1 H 0.6271 0.01 . 445 42 42 VAL HG2 H 0.2345 0.01 . 446 42 42 VAL C C 174.456 0.03 . 447 42 42 VAL CA C 60.064 0.03 . 448 42 42 VAL CB C 33.816 0.03 . 449 42 42 VAL CG1 C 21.02 0.03 . 450 42 42 VAL CG2 C 22.76 0.03 . 451 42 42 VAL N N 119.919 0.04 . 452 43 43 LYS H H 9.415 0.01 . 453 43 43 LYS HA H 5.374 0.01 . 454 43 43 LYS HB2 H 1.75 0.01 . 455 43 43 LYS HB3 H 1.795 0.01 . 456 43 43 LYS HD2 H 1.386 0.01 . 457 43 43 LYS HD3 H 1.462 0.01 . 458 43 43 LYS HE3 H 2.55 0.01 . 459 43 43 LYS HG2 H 1.347 0.01 . 460 43 43 LYS HG3 H 1.342 0.01 . 461 43 43 LYS C C 174.518 0.03 . 462 43 43 LYS CA C 54.601 0.03 . 463 43 43 LYS CB C 36.096 0.03 . 464 43 43 LYS CD C 30.0 0.03 . 465 43 43 LYS CE C 41.0 0.03 . 466 43 43 LYS CG C 25.44 0.03 . 467 43 43 LYS N N 125.776 0.04 . 468 44 44 VAL H H 8.845 0.01 . 469 44 44 VAL HA H 5.326 0.01 . 470 44 44 VAL HB H 1.744 0.01 . 471 44 44 VAL HG1 H 0.9112 0.01 . 472 44 44 VAL HG2 H 0.7981 0.01 . 473 44 44 VAL C C 173.928 0.03 . 474 44 44 VAL CA C 59.365 0.03 . 475 44 44 VAL CB C 34.818 0.03 . 476 44 44 VAL CG1 C 21.53 0.03 . 477 44 44 VAL CG2 C 21.89 0.03 . 478 44 44 VAL N N 121.484 0.04 . 479 45 45 PHE H H 8.254 0.01 . 480 45 45 PHE HA H 4.971 0.01 . 481 45 45 PHE HB2 H 2.979 0.01 . 482 45 45 PHE HB3 H 3.43 0.01 . 483 45 45 PHE C C 171.102 0.03 . 484 45 45 PHE CA C 55.886 0.03 . 485 45 45 PHE CB C 39.882 0.03 . 486 45 45 PHE N N 120.6 0.04 . 487 46 46 LEU H H 9.137 0.01 . 488 46 46 LEU HA H 4.189 0.01 . 489 46 46 LEU HB2 H 1.602 0.01 . 490 46 46 LEU HB3 H 1.685 0.01 . 491 46 46 LEU HD1 H 0.3547 0.01 . 492 46 46 LEU HD2 H 0.3547 0.01 . 493 46 46 LEU HG H 0.93 0.01 . 494 46 46 LEU C C 176.176 0.03 . 495 46 46 LEU CA C 52.376 0.03 . 496 46 46 LEU CB C 43.229 0.03 . 497 46 46 LEU CD1 C 24.5 0.03 . 498 46 46 LEU CD2 C 24.5 0.03 . 499 46 46 LEU CG C 25.73 0.03 . 500 46 46 LEU N N 121.444 0.04 . 501 47 47 LEU H H 8.945 0.01 . 502 47 47 LEU HA H 4.185 0.01 . 503 47 47 LEU HB2 H 1.49 0.01 . 504 47 47 LEU HB3 H 1.64 0.01 . 505 47 47 LEU HD1 H 0.9293 0.01 . 506 47 47 LEU HD2 H 0.759 0.01 . 507 47 47 LEU HG H 0.658 0.01 . 508 47 47 LEU C C 175.8 0.03 . 509 47 47 LEU CA C 52.926 0.03 . 510 47 47 LEU CB C 41.01 0.03 . 511 47 47 LEU CD1 C 24.5 0.03 . 512 47 47 LEU CD2 C 24.5 0.03 . 513 47 47 LEU CG C 25.73 0.03 . 514 47 47 LEU N N 123.9 0.04 . 515 48 48 PRO HA H 4.474 0.01 . 516 48 48 PRO HB2 H 2.123 0.01 . 517 48 48 PRO HB3 H 1.936 0.01 . 518 48 48 PRO HD2 H 3.589 0.01 . 519 48 48 PRO HD3 H 3.684 0.01 . 520 48 48 PRO HG2 H 1.875 0.01 . 521 48 48 PRO HG3 H 1.992 0.01 . 522 48 48 PRO C C 176.188 0.03 . 523 48 48 PRO CA C 62.992 0.03 . 524 48 48 PRO CD C 50.23 0.03 . 525 48 48 PRO CG C 25.1 0.03 . 526 49 49 ASP H H 8.467 0.01 . 527 49 49 ASP HA H 4.576 0.01 . 528 49 49 ASP HB2 H 2.67 0.01 . 529 49 49 ASP HB3 H 2.905 0.01 . 530 49 49 ASP C C 175.304 0.03 . 531 49 49 ASP CA C 55.199 0.03 . 532 49 49 ASP CB C 40.158 0.03 . 533 49 49 ASP N N 113.8 0.04 . 534 50 50 LYS H H 8.329 0.01 . 535 50 50 LYS HA H 3.949 0.01 . 536 50 50 LYS HB2 H 1.541 0.01 . 537 50 50 LYS HB3 H 1.541 0.01 . 538 50 50 LYS HD2 H 1.463 0.01 . 539 50 50 LYS HD3 H 1.463 0.01 . 540 50 50 LYS HE2 H 2.92 0.01 . 541 50 50 LYS HE3 H 2.92 0.01 . 542 50 50 LYS HG2 H 1.14 0.01 . 543 50 50 LYS HG3 H 1.25 0.01 . 544 50 50 LYS C C 175.754 0.03 . 545 50 50 LYS CA C 56.803 0.03 . 546 50 50 LYS CB C 32.059 0.03 . 547 50 50 LYS CD C 28.55 0.03 . 548 50 50 LYS CE C 41.65 0.03 . 549 50 50 LYS CG C 24.79 0.03 . 550 50 50 LYS N N 120.081 0.04 . 551 51 51 LYS H H 8.099 0.01 . 552 51 51 LYS HA H 3.95 0.01 . 553 51 51 LYS HB2 H 1.775 0.01 . 554 51 51 LYS HB3 H 1.775 0.01 . 555 51 51 LYS HD2 H 1.593 0.01 . 556 51 51 LYS HD3 H 1.593 0.01 . 557 51 51 LYS HE2 H 2.905 0.01 . 558 51 51 LYS HE3 H 2.905 0.01 . 559 51 51 LYS HG2 H 1.288 0.01 . 560 51 51 LYS HG3 H 1.391 0.01 . 561 51 51 LYS C C 176.619 0.03 . 562 51 51 LYS CA C 57.36 0.03 . 563 51 51 LYS CB C 32.23 0.03 . 564 51 51 LYS CD C 28.62 0.03 . 565 51 51 LYS CE C 41.73 0.03 . 566 51 51 LYS CG C 24.79 0.03 . 567 51 51 LYS N N 117.896 0.04 . 568 52 52 LYS H H 7.447 0.01 . 569 52 52 LYS HA H 4.259 0.01 . 570 52 52 LYS HB2 H 1.712 0.01 . 571 52 52 LYS HB3 H 1.712 0.01 . 572 52 52 LYS HD2 H 1.671 0.01 . 573 52 52 LYS HD3 H 1.671 0.01 . 574 52 52 LYS HE2 H 2.857 0.01 . 575 52 52 LYS HE3 H 2.857 0.01 . 576 52 52 LYS HG2 H 1.083 0.01 . 577 52 52 LYS HG3 H 1.201 0.01 . 578 52 52 LYS C C 173.42 0.03 . 579 52 52 LYS CA C 54.688 0.03 . 580 52 52 LYS CB C 31.829 0.03 . 581 52 52 LYS CD C 32.03 0.03 . 582 52 52 LYS CE C 41.44 0.03 . 583 52 52 LYS CG C 24.06 0.03 . 584 52 52 LYS N N 120.2 0.04 . 585 53 53 LYS H H 7.81 0.01 . 586 53 53 LYS HA H 5.004 0.01 . 587 53 53 LYS HB2 H 1.601 0.01 . 588 53 53 LYS HB3 H 1.601 0.01 . 589 53 53 LYS HD2 H 1.19 0.01 . 590 53 53 LYS HD3 H 1.278 0.01 . 591 53 53 LYS HE2 H 2.4 0.01 . 592 53 53 LYS HE3 H 2.4 0.01 . 593 53 53 LYS HG2 H 0.9293 0.01 . 594 53 53 LYS HG3 H 1.056 0.01 . 595 53 53 LYS C C 174.468 0.03 . 596 53 53 LYS CA C 53.698 0.03 . 597 53 53 LYS CB C 41.592 0.03 . 598 53 53 LYS CD C 29.06 0.03 . 599 53 53 LYS CE C 41.0 0.03 . 600 53 53 LYS CG C 23.34 0.03 . 601 53 53 LYS N N 123.119 0.04 . 602 54 54 PHE H H 8.49 0.01 . 603 54 54 PHE HA H 4.68 0.01 . 604 54 54 PHE HB2 H 1.69 0.01 . 605 54 54 PHE HB3 H 2.01 0.01 . 606 54 54 PHE C C 173.801 0.03 . 607 54 54 PHE CA C 56.583 0.03 . 608 54 54 PHE CB C 42.11 0.03 . 609 54 54 PHE N N 120.2 0.04 . 610 55 55 GLU H H 8.309 0.01 . 611 55 55 GLU HA H 5.69 0.01 . 612 55 55 GLU HB2 H 1.869 0.01 . 613 55 55 GLU HB3 H 2.02 0.01 . 614 55 55 GLU HG2 H 2.117 0.01 . 615 55 55 GLU HG3 H 2.117 0.01 . 616 55 55 GLU C C 176.694 0.03 . 617 55 55 GLU CA C 53.537 0.03 . 618 55 55 GLU CB C 33.241 0.03 . 619 55 55 GLU CG C 36.08 0.03 . 620 55 55 GLU N N 117.6 0.04 . 621 56 56 THR H H 8.775 0.01 . 622 56 56 THR HA H 4.838 0.01 . 623 56 56 THR HB H 4.938 0.01 . 624 56 56 THR HG2 H 0.945 0.01 . 625 56 56 THR C C 174.385 0.03 . 626 56 56 THR CA C 60.989 0.03 . 627 56 56 THR CB C 71.86 0.03 . 628 56 56 THR CG2 C 21.02 0.03 . 629 56 56 THR N N 111.7 0.04 . 630 57 57 LYS H H 9.787 0.01 . 631 57 57 LYS HA H 4.151 0.01 . 632 57 57 LYS HB2 H 1.742 0.01 . 633 57 57 LYS HB3 H 1.7421 0.01 . 634 57 57 LYS HD2 H 1.63 0.01 . 635 57 57 LYS HD3 H 1.63 0.01 . 636 57 57 LYS HE2 H 3.092 0.01 . 637 57 57 LYS HE3 H 3.092 0.01 . 638 57 57 LYS HG2 H 1.6 0.01 . 639 57 57 LYS HG3 H 1.6 0.01 . 640 57 57 LYS C C 177.417 0.03 . 641 57 57 LYS CA C 56.775 0.03 . 642 57 57 LYS CB C 32.743 0.03 . 643 57 57 LYS CD C 25.08 0.03 . 644 57 57 LYS CE C 42.16 0.03 . 645 57 57 LYS CG C 24.86 0.03 . 646 57 57 LYS N N 119.5 0.04 . 647 58 58 VAL H H 8.12 0.01 . 648 58 58 VAL HA H 4.284 0.01 . 649 58 58 VAL HB H 1.57 0.01 . 650 58 58 VAL HG1 H 0.5004 0.01 . 651 58 58 VAL HG2 H 0.2914 0.01 . 652 58 58 VAL C C 176.85 0.03 . 653 58 58 VAL CA C 61.87 0.03 . 654 58 58 VAL CB C 32.081 0.03 . 655 58 58 VAL CG1 C 20.81 0.03 . 656 58 58 VAL CG2 C 21.24 0.03 . 657 58 58 VAL N N 123.1 0.04 . 658 59 59 HIS H H 8.55 0.01 . 659 59 59 HIS HA H 4.457 0.01 . 660 59 59 HIS HB2 H 3.168 0.01 . 661 59 59 HIS HB3 H 3.095 0.01 . 662 59 59 HIS C C 172.101 0.03 . 663 59 59 HIS CA C 54.311 0.03 . 664 59 59 HIS CB C 30.426 0.03 . 665 59 59 HIS N N 128.8 0.04 . 666 60 60 ARG H H 8.211 0.01 . 667 60 60 ARG HA H 4.389 0.01 . 668 60 60 ARG HB2 H 1.693 0.01 . 669 60 60 ARG HB3 H 1.693 0.01 . 670 60 60 ARG HD2 H 3.006 0.01 . 671 60 60 ARG HD3 H 3.006 0.01 . 672 60 60 ARG HG2 H 1.413 0.01 . 673 60 60 ARG HG3 H 1.603 0.01 . 674 60 60 ARG C C 176.252 0.03 . 675 60 60 ARG CA C 55.702 0.03 . 676 60 60 ARG CB C 30.713 0.03 . 677 60 60 ARG CD C 42.67 0.03 . 678 60 60 ARG CG C 26.89 0.03 . 679 60 60 ARG N N 118.7 0.04 . 680 61 61 LYS H H 9.608 0.01 . 681 61 61 LYS HA H 3.946 0.01 . 682 61 61 LYS HB2 H 1.763 0.01 . 683 61 61 LYS HB3 H 1.885 0.01 . 684 61 61 LYS HD2 H 1.603 0.01 . 685 61 61 LYS HD3 H 1.603 0.01 . 686 61 61 LYS HE2 H 3.218 0.01 . 687 61 61 LYS HE3 H 3.218 0.01 . 688 61 61 LYS HG2 H 1.314 0.01 . 689 61 61 LYS HG3 H 1.314 0.01 . 690 61 61 LYS C C 175.083 0.03 . 691 61 61 LYS CA C 55.977 0.03 . 692 61 61 LYS CB C 29.711 0.03 . 693 61 61 LYS CD C 28.62 0.03 . 694 61 61 LYS CG C 25.73 0.03 . 695 61 61 LYS N N 122.5 0.04 . 696 62 62 THR H H 8.47 0.01 . 697 62 62 THR HA H 4.703 0.01 . 698 62 62 THR HB H 4.119 0.01 . 699 62 62 THR HG2 H 0.833 0.01 . 700 62 62 THR C C 170.12 0.03 . 701 62 62 THR CA C 59.755 0.03 . 702 62 62 THR CB C 63.417 0.03 . 703 62 62 THR CG2 C 20.37 0.03 . 704 62 62 THR N N 113.4 0.04 . 705 63 63 LEU H H 8.257 0.01 . 706 63 63 LEU HA H 4.483 0.01 . 707 63 63 LEU HB2 H 1.471 0.01 . 708 63 63 LEU HB3 H 2.014 0.01 . 709 63 63 LEU HD1 H 0.8659 0.01 . 710 63 63 LEU HD2 H 0.5764 0.01 . 711 63 63 LEU HG H 1.545 0.01 . 712 63 63 LEU C C 175.135 0.03 . 713 63 63 LEU CA C 52.833 0.03 . 714 63 63 LEU CB C 40.311 0.03 . 715 63 63 LEU CD1 C 24.0 0.03 . 716 63 63 LEU CD2 C 21.39 0.03 . 717 63 63 LEU CG C 26.6 0.03 . 718 63 63 LEU N N 123.1 0.04 . 719 64 64 ASN H H 8.306 0.01 . 720 64 64 ASN HA H 5.45 0.01 . 721 64 64 ASN HB2 H 2.6 0.01 . 722 64 64 ASN HB3 H 2.7 0.01 . 723 64 64 ASN HD21 H 7.571 0.01 . 724 64 64 ASN HD22 H 7.171 0.01 . 725 64 64 ASN C C 171.5 0.03 . 726 64 64 ASN CA C 50.61 0.03 . 727 64 64 ASN CB C 40.55 0.03 . 728 64 64 ASN N N 114.829 0.04 . 729 64 64 ASN ND2 N 117.1 0.04 . 730 65 65 PRO HA H 3.97 0.01 . 731 65 65 PRO HB2 H 1.51 0.01 . 732 65 65 PRO HB3 H 1.99 0.01 . 733 65 65 PRO HD2 H 3.34 0.01 . 734 65 65 PRO HD3 H 3.34 0.01 . 735 65 65 PRO HG2 H 1.4 0.01 . 736 65 65 PRO HG3 H 1.943 0.01 . 737 65 65 PRO C C 173.852 0.03 . 738 65 65 PRO CA C 61.914 0.03 . 739 65 65 PRO CB C 30.78 0.03 . 740 65 65 PRO CD C 49.09 0.03 . 741 65 65 PRO CG C 28.84 0.03 . 742 66 66 VAL H H 7.926 0.01 . 743 66 66 VAL HA H 3.807 0.01 . 744 66 66 VAL HB H 1.854 0.01 . 745 66 66 VAL HG1 H 0.83 0.01 . 746 66 66 VAL HG2 H 0.73 0.01 . 747 66 66 VAL C C 175.152 0.03 . 748 66 66 VAL CA C 61.782 0.03 . 749 66 66 VAL CB C 32.721 0.03 . 750 66 66 VAL CG1 C 20.09 0.03 . 751 66 66 VAL CG2 C 20.88 0.03 . 752 66 66 VAL N N 121.0 0.04 . 753 67 67 PHE H H 8.15 0.01 . 754 67 67 PHE HA H 4.378 0.01 . 755 67 67 PHE HB2 H 2.735 0.01 . 756 67 67 PHE HB3 H 3.006 0.01 . 757 67 67 PHE C C 175.748 0.03 . 758 67 67 PHE CA C 59.262 0.03 . 759 67 67 PHE CB C 39.849 0.03 . 760 67 67 PHE N N 123.4 0.04 . 761 68 68 ASN H H 8.92 0.01 . 762 68 68 ASN HA H 4.35 0.01 . 763 68 68 ASN HB2 H 2.634 0.01 . 764 68 68 ASN HB3 H 2.954 0.01 . 765 68 68 ASN HD21 H 7.446 0.01 . 766 68 68 ASN HD22 H 6.511 0.01 . 767 68 68 ASN C C 173.314 0.03 . 768 68 68 ASN CA C 53.983 0.03 . 769 68 68 ASN CB C 37.351 0.03 . 770 68 68 ASN N N 117.5 0.04 . 771 68 68 ASN ND2 N 111.9 0.04 . 772 69 69 GLU H H 7.931 0.01 . 773 69 69 GLU HA H 4.638 0.01 . 774 69 69 GLU HB2 H 1.6 0.01 . 775 69 69 GLU HB3 H 1.6 0.01 . 776 69 69 GLU HG2 H 2.09 0.01 . 777 69 69 GLU HG3 H 2.264 0.01 . 778 69 69 GLU C C 174.165 0.03 . 779 69 69 GLU CA C 55.742 0.03 . 780 69 69 GLU CB C 34.663 0.03 . 781 69 69 GLU CG C 37.55 0.03 . 782 69 69 GLU N N 116.0 0.04 . 783 70 70 GLN H H 8.174 0.01 . 784 70 70 GLN HA H 4.985 0.01 . 785 70 70 GLN HB2 H 1.642 0.01 . 786 70 70 GLN HB3 H 1.727 0.01 . 787 70 70 GLN HE21 H 7.24 0.01 . 788 70 70 GLN HE22 H 6.589 0.01 . 789 70 70 GLN HG2 H 1.78 0.01 . 790 70 70 GLN HG3 H 1.78 0.01 . 791 70 70 GLN C C 173.068 0.03 . 792 70 70 GLN CA C 53.807 0.03 . 793 70 70 GLN CB C 31.75 0.03 . 794 70 70 GLN CG C 33.99 0.03 . 795 70 70 GLN N N 121.5 0.04 . 796 70 70 GLN NE2 N 112.0 0.04 . 797 71 71 PHE H H 9.04 0.01 . 798 71 71 PHE HA H 4.528 0.01 . 799 71 71 PHE HB2 H 2.043 0.01 . 800 71 71 PHE HB3 H 2.043 0.01 . 801 71 71 PHE C C 173.57 0.03 . 802 71 71 PHE CA C 55.249 0.03 . 803 71 71 PHE CB C 42.133 0.03 . 804 71 71 PHE N N 124.3 0.04 . 805 72 72 THR H H 7.763 0.01 . 806 72 72 THR HA H 5.212 0.01 . 807 72 72 THR HB H 3.658 0.01 . 808 72 72 THR HG2 H 0.8112 0.01 . 809 72 72 THR C C 172.834 0.03 . 810 72 72 THR CA C 59.491 0.03 . 811 72 72 THR CB C 70.623 0.03 . 812 72 72 THR CG2 C 21.53 0.03 . 813 72 72 THR N N 114.0 0.04 . 814 73 73 PHE H H 8.983 0.01 . 815 73 73 PHE HA H 4.75 0.01 . 816 73 73 PHE HB2 H 2.6 0.01 . 817 73 73 PHE HB3 H 2.986 0.01 . 818 73 73 PHE C C 174.89 0.03 . 819 73 73 PHE CA C 56.071 0.03 . 820 73 73 PHE CB C 41.57 0.03 . 821 73 73 PHE N N 120.9 0.04 . 822 74 74 LYS H H 9.063 0.01 . 823 74 74 LYS HA H 4.69 0.01 . 824 74 74 LYS HB2 H 1.886 0.01 . 825 74 74 LYS HB3 H 1.925 0.01 . 826 74 74 LYS HD2 H 1.784 0.01 . 827 74 74 LYS HD3 H 1.784 0.01 . 828 74 74 LYS HE2 H 2.915 0.01 . 829 74 74 LYS HE3 H 2.915 0.01 . 830 74 74 LYS HG2 H 1.359 0.01 . 831 74 74 LYS HG3 H 1.404 0.01 . 832 74 74 LYS C C 174.575 0.03 . 833 74 74 LYS CA C 56.186 0.03 . 834 74 74 LYS CB C 30.577 0.03 . 835 74 74 LYS CD C 30.58 0.03 . 836 74 74 LYS CE C 41.8 0.03 . 837 74 74 LYS CG C 24.57 0.03 . 838 74 74 LYS N N 127.5 0.04 . 839 75 75 VAL H H 7.546 0.01 . 840 75 75 VAL HA H 4.65 0.01 . 841 75 75 VAL HB H 2.04 0.01 . 842 75 75 VAL HG1 H 0.84 0.01 . 843 75 75 VAL HG2 H 0.84 0.01 . 844 75 75 VAL C C 171.5 0.03 . 845 75 75 VAL CA C 57.737 0.03 . 846 75 75 VAL CB C 35.16 0.03 . 847 75 75 VAL CG1 C 20.2 0.03 . 848 75 75 VAL CG2 C 19.7 0.03 . 849 75 75 VAL N N 126.6 0.04 . 850 76 76 PRO HA H 4.329 0.01 . 851 76 76 PRO HB2 H 1.744 0.01 . 852 76 76 PRO HB3 H 2.445 0.01 . 853 76 76 PRO HD2 H 3.55 0.01 . 854 76 76 PRO HD3 H 3.86 0.01 . 855 76 76 PRO HG2 H 1.98 0.01 . 856 76 76 PRO HG3 H 2.03 0.01 . 857 76 76 PRO C C 176.991 0.03 . 858 76 76 PRO CA C 62.476 0.03 . 859 76 76 PRO CB C 32.143 0.03 . 860 76 76 PRO CD C 51.66 0.03 . 861 76 76 PRO CG C 27.36 0.03 . 862 77 77 TYR H H 8.626 0.01 . 863 77 77 TYR HA H 3.403 0.01 . 864 77 77 TYR HB3 H 2.781 0.01 . 865 77 77 TYR HE1 H 6.19 0.01 . 866 77 77 TYR HE2 H 6.52 0.01 . 867 77 77 TYR C C 177.516 0.03 . 868 77 77 TYR CA C 61.772 0.03 . 869 77 77 TYR CB C 37.898 0.03 . 870 77 77 TYR N N 128.5 0.04 . 871 78 78 SER H H 8.509 0.01 . 872 78 78 SER HA H 3.94 0.01 . 873 78 78 SER HB2 H 3.891 0.01 . 874 78 78 SER HB3 H 3.891 0.01 . 875 78 78 SER C C 175.292 0.03 . 876 78 78 SER CA C 60.064 0.03 . 877 78 78 SER CB C 62.022 0.03 . 878 78 78 SER N N 110.6 0.04 . 879 79 79 GLU H H 7.411 0.01 . 880 79 79 GLU HA H 4.28 0.01 . 881 79 79 GLU HB2 H 1.69 0.01 . 882 79 79 GLU HB3 H 2.102 0.01 . 883 79 79 GLU HG2 H 2.106 0.01 . 884 79 79 GLU HG3 H 2.106 0.01 . 885 79 79 GLU C C 177.218 0.03 . 886 79 79 GLU CA C 55.273 0.03 . 887 79 79 GLU CB C 30.302 0.03 . 888 79 79 GLU CG C 35.86 0.03 . 889 79 79 GLU N N 119.0 0.04 . 890 80 80 LEU H H 7.311 0.01 . 891 80 80 LEU HA H 3.643 0.01 . 892 80 80 LEU HB2 H 1.179 0.01 . 893 80 80 LEU HB3 H 1.283 0.01 . 894 80 80 LEU HD1 H 0.5538 0.01 . 895 80 80 LEU HD2 H 0.4271 0.01 . 896 80 80 LEU HG H 1.314 0.01 . 897 80 80 LEU C C 177.098 0.03 . 898 80 80 LEU CA C 57.376 0.03 . 899 80 80 LEU CB C 41.916 0.03 . 900 80 80 LEU CD1 C 24.14 0.03 . 901 80 80 LEU CD2 C 25.44 0.03 . 902 80 80 LEU CG C 26.23 0.03 . 903 80 80 LEU N N 121.6 0.04 . 904 81 81 GLY H H 7.86 0.01 . 905 81 81 GLY HA2 H 3.434 0.01 . 906 81 81 GLY HA3 H 3.744 0.01 . 907 81 81 GLY C C 174.24 0.03 . 908 81 81 GLY CA C 46.638 0.03 . 909 81 81 GLY N N 102.9 0.04 . 910 82 82 GLY H H 7.396 0.01 . 911 82 82 GLY HA2 H 3.76 0.01 . 912 82 82 GLY HA3 H 4.267 0.01 . 913 82 82 GLY C C 174.591 0.03 . 914 82 82 GLY CA C 44.289 0.03 . 915 82 82 GLY N N 105.9 0.04 . 916 83 83 LYS H H 7.888 0.01 . 917 83 83 LYS HA H 4.366 0.01 . 918 83 83 LYS HB2 H 1.744 0.01 . 919 83 83 LYS HB3 H 1.717 0.01 . 920 83 83 LYS HD2 H 1.477 0.01 . 921 83 83 LYS HD3 H 1.694 0.01 . 922 83 83 LYS HG2 H 1.273 0.01 . 923 83 83 LYS HG3 H 1.273 0.01 . 924 83 83 LYS C C 176.518 0.03 . 925 83 83 LYS CA C 53.818 0.03 . 926 83 83 LYS CB C 33.814 0.03 . 927 83 83 LYS CD C 28.7 0.03 . 928 83 83 LYS CE C 42.74 0.03 . 929 83 83 LYS CG C 25.58 0.03 . 930 83 83 LYS N N 119.0 0.04 . 931 84 84 THR H H 8.248 0.01 . 932 84 84 THR HA H 4.638 0.01 . 933 84 84 THR HB H 3.744 0.01 . 934 84 84 THR HG2 H 0.7483 0.01 . 935 84 84 THR C C 171.75 0.03 . 936 84 84 THR CA C 61.914 0.03 . 937 84 84 THR CB C 71.34 0.03 . 938 84 84 THR CG2 C 20.73 0.03 . 939 84 84 THR N N 118.5 0.04 . 940 85 85 LEU H H 8.43 0.01 . 941 85 85 LEU HA H 4.417 0.01 . 942 85 85 LEU HB2 H 1.259 0.01 . 943 85 85 LEU HB3 H 1.722 0.01 . 944 85 85 LEU HD1 H 0.669 0.01 . 945 85 85 LEU HD2 H 0.5402 0.01 . 946 85 85 LEU HG H 1.18 0.01 . 947 85 85 LEU C C 173.417 0.03 . 948 85 85 LEU CA C 53.982 0.03 . 949 85 85 LEU CB C 43.826 0.03 . 950 85 85 LEU CD1 C 27.61 0.03 . 951 85 85 LEU CD2 C 23.7 0.03 . 952 85 85 LEU CG C 26.6 0.03 . 953 85 85 LEU N N 130.5 0.04 . 954 86 86 VAL H H 8.771 0.01 . 955 86 86 VAL HA H 4.151 0.01 . 956 86 86 VAL HG1 H 0.418 0.01 . 957 86 86 VAL HG2 H 0.3728 0.01 . 958 86 86 VAL C C 173.599 0.03 . 959 86 86 VAL CA C 61.206 0.03 . 960 86 86 VAL CB C 31.856 0.03 . 961 86 86 VAL CG1 C 21.0 0.03 . 962 86 86 VAL CG2 C 21.0 0.03 . 963 86 86 VAL N N 127.723 0.04 . 964 87 87 MET H H 7.503 0.01 . 965 87 87 MET HA H 4.706 0.01 . 966 87 87 MET HB2 H 1.058 0.01 . 967 87 87 MET HB3 H 1.058 0.01 . 968 87 87 MET HG2 H 1.766 0.01 . 969 87 87 MET HG3 H 2.02 0.01 . 970 87 87 MET C C 172.749 0.03 . 971 87 87 MET CA C 53.654 0.03 . 972 87 87 MET CB C 31.288 0.03 . 973 87 87 MET CG C 33.69 0.03 . 974 87 87 MET N N 122.6 0.04 . 975 88 88 ALA H H 8.755 0.01 . 976 88 88 ALA HA H 4.948 0.01 . 977 88 88 ALA HB H 1.372 0.01 . 978 88 88 ALA C C 174.558 0.03 . 979 88 88 ALA CA C 50.017 0.03 . 980 88 88 ALA CB C 23.107 0.03 . 981 88 88 ALA N N 124.2 0.04 . 982 89 89 VAL H H 8.813 0.01 . 983 89 89 VAL HA H 4.652 0.01 . 984 89 89 VAL HB H 1.873 0.01 . 985 89 89 VAL HG1 H 0.9383 0.01 . 986 89 89 VAL HG2 H 0.8523 0.01 . 987 89 89 VAL C C 173.707 0.03 . 988 89 89 VAL CA C 60.881 0.03 . 989 89 89 VAL CB C 31.541 0.03 . 990 89 89 VAL CG1 C 21.46 0.03 . 991 89 89 VAL CG2 C 22.8 0.03 . 992 89 89 VAL N N 122.9 0.04 . 993 90 90 TYR H H 9.067 0.01 . 994 90 90 TYR HA H 4.766 0.01 . 995 90 90 TYR HB3 H 2.419 0.01 . 996 90 90 TYR HE1 H 6.77 0.01 . 997 90 90 TYR HE2 H 6.64 0.01 . 998 90 90 TYR C C 173.024 0.03 . 999 90 90 TYR CA C 56.23 0.03 . 1000 90 90 TYR CB C 43.211 0.03 . 1001 90 90 TYR N N 128.4 0.04 . 1002 91 91 ASP H H 8.7 0.01 . 1003 91 91 ASP HA H 5.098 0.01 . 1004 91 91 ASP HB2 H 2.36 0.01 . 1005 91 91 ASP HB3 H 2.95 0.01 . 1006 91 91 ASP C C 175.823 0.03 . 1007 91 91 ASP CA C 51.8 0.03 . 1008 91 91 ASP CB C 42.265 0.03 . 1009 91 91 ASP N N 116.3 0.04 . 1010 92 92 PHE H H 9.54 0.01 . 1011 92 92 PHE HA H 4.48 0.01 . 1012 92 92 PHE HB2 H 3.14 0.01 . 1013 92 92 PHE HB3 H 3.3 0.01 . 1014 92 92 PHE C C 173.437 0.03 . 1015 92 92 PHE CA C 58.83 0.03 . 1016 92 92 PHE N N 128.1 0.04 . 1017 93 93 ASP H H 7.812 0.01 . 1018 93 93 ASP HA H 4.48 0.01 . 1019 93 93 ASP HB2 H 2.79 0.01 . 1020 93 93 ASP HB3 H 2.86 0.01 . 1021 93 93 ASP C C 175.548 0.03 . 1022 93 93 ASP CA C 53.701 0.03 . 1023 93 93 ASP CB C 41.736 0.03 . 1024 93 93 ASP N N 122.1 0.04 . 1025 94 94 ARG H H 8.264 0.01 . 1026 94 94 ARG HA H 4.0 0.01 . 1027 94 94 ARG HB2 H 1.5 0.01 . 1028 94 94 ARG HB3 H 1.5 0.01 . 1029 94 94 ARG HD2 H 2.922 0.01 . 1030 94 94 ARG HD3 H 2.922 0.01 . 1031 94 94 ARG HG2 H 1.14 0.01 . 1032 94 94 ARG HG3 H 1.248 0.01 . 1033 94 94 ARG C C 175.795 0.03 . 1034 94 94 ARG CA C 56.142 0.03 . 1035 94 94 ARG CB C 30.173 0.03 . 1036 94 94 ARG CD C 41.83 0.03 . 1037 94 94 ARG CG C 24.9 0.03 . 1038 94 94 ARG N N 121.5 0.04 . 1039 95 95 PHE H H 6.889 0.01 . 1040 95 95 PHE HA H 4.373 0.01 . 1041 95 95 PHE HB2 H 2.958 0.01 . 1042 95 95 PHE HB3 H 3.222 0.01 . 1043 95 95 PHE C C 172.969 0.03 . 1044 95 95 PHE CA C 59.85 0.03 . 1045 95 95 PHE CB C 38.955 0.03 . 1046 95 95 PHE N N 118.6 0.04 . 1047 96 96 SER H H 8.027 0.01 . 1048 96 96 SER HA H 4.22 0.01 . 1049 96 96 SER HB2 H 3.816 0.01 . 1050 96 96 SER HB3 H 3.852 0.01 . 1051 96 96 SER C C 174.149 0.03 . 1052 96 96 SER CA C 57.596 0.03 . 1053 96 96 SER CB C 63.494 0.03 . 1054 96 96 SER N N 114.2 0.04 . 1055 97 97 LYS H H 8.264 0.01 . 1056 97 97 LYS HA H 4.202 0.01 . 1057 97 97 LYS HB2 H 1.7 0.01 . 1058 97 97 LYS HB3 H 1.7 0.01 . 1059 97 97 LYS HD2 H 1.732 0.01 . 1060 97 97 LYS HD3 H 1.732 0.01 . 1061 97 97 LYS HE2 H 2.931 0.01 . 1062 97 97 LYS HE3 H 2.931 0.01 . 1063 97 97 LYS HG2 H 1.35 0.01 . 1064 97 97 LYS HG3 H 1.35 0.01 . 1065 97 97 LYS C C 175.599 0.03 . 1066 97 97 LYS CA C 58.206 0.03 . 1067 97 97 LYS CB C 31.86 0.03 . 1068 97 97 LYS CD C 28.15 0.03 . 1069 97 97 LYS CG C 24.61 0.03 . 1070 97 97 LYS N N 121.6 0.04 . 1071 98 98 HIS H H 8.35 0.01 . 1072 98 98 HIS HA H 4.784 0.01 . 1073 98 98 HIS HB2 H 2.75 0.01 . 1074 98 98 HIS HB3 H 2.83 0.01 . 1075 98 98 HIS C C 174.05 0.03 . 1076 98 98 HIS CA C 54.159 0.03 . 1077 98 98 HIS CB C 30.04 0.03 . 1078 98 98 HIS N N 119.0 0.04 . 1079 99 99 ASP H H 8.812 0.01 . 1080 99 99 ASP HA H 4.781 0.01 . 1081 99 99 ASP HB2 H 2.716 0.01 . 1082 99 99 ASP HB3 H 2.795 0.01 . 1083 99 99 ASP C C 174.346 0.03 . 1084 99 99 ASP CA C 53.806 0.03 . 1085 99 99 ASP CB C 41.074 0.03 . 1086 99 99 ASP N N 122.6 0.04 . 1087 100 100 ILE H H 8.075 0.01 . 1088 100 100 ILE HA H 3.405 0.01 . 1089 100 100 ILE HB H 1.252 0.01 . 1090 100 100 ILE HD1 H 0.4927 0.01 . 1091 100 100 ILE HG12 H 0.1986 0.01 . 1092 100 100 ILE HG13 H 0.708 0.01 . 1093 100 100 ILE HG2 H 0.5651 0.01 . 1094 100 100 ILE C C 174.431 0.03 . 1095 100 100 ILE CA C 60.989 0.03 . 1096 100 100 ILE CB C 38.823 0.03 . 1097 100 100 ILE CD1 C 13.6 0.03 . 1098 100 100 ILE CG1 C 29.03 0.03 . 1099 100 100 ILE CG2 C 15.78 0.03 . 1100 100 100 ILE N N 122.4 0.04 . 1101 101 101 ILE H H 9.219 0.01 . 1102 101 101 ILE HA H 3.869 0.01 . 1103 101 101 ILE HB H 1.438 0.01 . 1104 101 101 ILE HG12 H 0.8682 0.01 . 1105 101 101 ILE HG13 H 0.8682 0.01 . 1106 101 101 ILE HG2 H 0.809 0.01 . 1107 101 101 ILE C C 175.859 0.03 . 1108 101 101 ILE CA C 63.38 0.03 . 1109 101 101 ILE CB C 38.058 0.03 . 1110 101 101 ILE CD1 C 12.81 0.03 . 1111 101 101 ILE CG1 C 27.5 0.03 . 1112 101 101 ILE CG2 C 17.22 0.03 . 1113 101 101 ILE N N 127.4 0.04 . 1114 102 102 GLY H H 7.241 0.01 . 1115 102 102 GLY HA2 H 3.811 0.01 . 1116 102 102 GLY HA3 H 4.024 0.01 . 1117 102 102 GLY C C 169.614 0.03 . 1118 102 102 GLY CA C 45.259 0.03 . 1119 102 102 GLY N N 101.5 0.04 . 1120 103 103 GLU H H 9.499 0.01 . 1121 103 103 GLU HA H 5.513 0.01 . 1122 103 103 GLU HB2 H 1.855 0.01 . 1123 103 103 GLU HB3 H 1.855 0.01 . 1124 103 103 GLU HG2 H 1.77 0.01 . 1125 103 103 GLU HG3 H 1.85 0.01 . 1126 103 103 GLU C C 173.993 0.03 . 1127 103 103 GLU CA C 54.229 0.03 . 1128 103 103 GLU CB C 34.012 0.03 . 1129 103 103 GLU CG C 33.36 0.03 . 1130 103 103 GLU N N 117.1 0.04 . 1131 104 104 PHE H H 8.525 0.01 . 1132 104 104 PHE HA H 4.731 0.01 . 1133 104 104 PHE HB2 H 3.094 0.01 . 1134 104 104 PHE HB3 H 3.094 0.01 . 1135 104 104 PHE C C 171.749 0.03 . 1136 104 104 PHE CA C 58.037 0.03 . 1137 104 104 PHE CB C 41.03 0.03 . 1138 104 104 PHE N N 115.9 0.04 . 1139 105 105 LYS H H 7.8047 0.01 . 1140 105 105 LYS HA H 5.188 0.01 . 1141 105 105 LYS HB2 H 1.222 0.01 . 1142 105 105 LYS HB3 H 1.528 0.01 . 1143 105 105 LYS HD2 H 1.47 0.01 . 1144 105 105 LYS HD3 H 1.47 0.01 . 1145 105 105 LYS HE2 H 2.709 0.01 . 1146 105 105 LYS HE3 H 2.709 0.01 . 1147 105 105 LYS HG2 H 1.198 0.01 . 1148 105 105 LYS HG3 H 1.198 0.01 . 1149 105 105 LYS C C 175.389 0.03 . 1150 105 105 LYS CA C 53.771 0.03 . 1151 105 105 LYS CB C 34.953 0.03 . 1152 105 105 LYS CD C 29.02 0.03 . 1153 105 105 LYS CE C 41.18 0.03 . 1154 105 105 LYS CG C 25.11 0.03 . 1155 105 105 LYS N N 118.9 0.04 . 1156 106 106 VAL H H 9.276 0.01 . 1157 106 106 VAL HA H 4.43 0.01 . 1158 106 106 VAL HB H 1.95 0.01 . 1159 106 106 VAL HG1 H 0.6736 0.01 . 1160 106 106 VAL HG2 H 0.613 0.01 . 1161 106 106 VAL C C 173.3 0.03 . 1162 106 106 VAL CA C 58.522 0.03 . 1163 106 106 VAL CB C 34.05 0.03 . 1164 106 106 VAL CG1 C 20.41 0.03 . 1165 106 106 VAL CG2 C 19.97 0.03 . 1166 106 106 VAL N N 121.4 0.04 . 1167 107 107 PRO HA H 4.703 0.01 . 1168 107 107 PRO HB2 H 2.189 0.01 . 1169 107 107 PRO HB3 H 2.36 0.01 . 1170 107 107 PRO HD2 H 3.709 0.01 . 1171 107 107 PRO HD3 H 3.709 0.01 . 1172 107 107 PRO HG2 H 1.836 0.01 . 1173 107 107 PRO HG3 H 2.32 0.01 . 1174 107 107 PRO C C 178.967 0.03 . 1175 107 107 PRO CA C 62.265 0.03 . 1176 107 107 PRO CB C 31.157 0.03 . 1177 107 107 PRO CD C 50.99 0.03 . 1178 107 107 PRO CG C 27.43 0.03 . 1179 108 108 MET H H 8.716 0.01 . 1180 108 108 MET HA H 4.483 0.01 . 1181 108 108 MET HB2 H 1.89 0.01 . 1182 108 108 MET HB3 H 2.3 0.01 . 1183 108 108 MET HG2 H 2.513 0.01 . 1184 108 108 MET HG3 H 2.628 0.01 . 1185 108 108 MET C C 176.858 0.03 . 1186 108 108 MET CA C 56.728 0.03 . 1187 108 108 MET CB C 32.909 0.03 . 1188 108 108 MET CG C 33.44 0.03 . 1189 108 108 MET N N 126.3 0.04 . 1190 109 109 ASN H H 8.342 0.01 . 1191 109 109 ASN HA H 4.564 0.01 . 1192 109 109 ASN HB2 H 3.064 0.01 . 1193 109 109 ASN HB3 H 3.064 0.01 . 1194 109 109 ASN HD21 H 7.402 0.01 . 1195 109 109 ASN HD22 H 6.438 0.01 . 1196 109 109 ASN C C 175.789 0.03 . 1197 109 109 ASN CA C 53.983 0.03 . 1198 109 109 ASN CB C 36.227 0.03 . 1199 109 109 ASN N N 115.6 0.04 . 1200 109 109 ASN ND2 N 109.6 0.04 . 1201 110 110 THR H H 7.5216 0.01 . 1202 110 110 THR HA H 4.461 0.01 . 1203 110 110 THR HB H 4.465 0.01 . 1204 110 110 THR HG2 H 1.18 0.01 . 1205 110 110 THR C C 173.508 0.03 . 1206 110 110 THR CA C 61.115 0.03 . 1207 110 110 THR CB C 62.929 0.03 . 1208 110 110 THR CG2 C 21.06 0.03 . 1209 110 110 THR N N 107.6 0.04 . 1210 111 111 VAL H H 6.96 0.01 . 1211 111 111 VAL HA H 3.703 0.01 . 1212 111 111 VAL HB H 1.577 0.01 . 1213 111 111 VAL HG1 H 0.6646 0.01 . 1214 111 111 VAL HG2 H -0.105 0.01 . 1215 111 111 VAL C C 173.903 0.03 . 1216 111 111 VAL CA C 61.782 0.03 . 1217 111 111 VAL CB C 32.821 0.03 . 1218 111 111 VAL CG1 C 21.78 0.03 . 1219 111 111 VAL CG2 C 20.41 0.03 . 1220 111 111 VAL N N 123.7 0.04 . 1221 112 112 ASP H H 8.341 0.01 . 1222 112 112 ASP HA H 4.719 0.01 . 1223 112 112 ASP HB2 H 2.513 0.01 . 1224 112 112 ASP HB3 H 2.79 0.01 . 1225 112 112 ASP C C 175.407 0.03 . 1226 112 112 ASP CA C 51.777 0.03 . 1227 112 112 ASP CB C 40.648 0.03 . 1228 112 112 ASP N N 125.8 0.04 . 1229 113 113 PHE H H 8.391 0.01 . 1230 113 113 PHE HA H 4.67 0.01 . 1231 113 113 PHE HB2 H 3.047 0.01 . 1232 113 113 PHE HB3 H 3.665 0.01 . 1233 113 113 PHE C C 175.854 0.03 . 1234 113 113 PHE CA C 59.887 0.03 . 1235 113 113 PHE CB C 37.999 0.03 . 1236 113 113 PHE N N 122.7 0.04 . 1237 114 114 GLY H H 8.953 0.01 . 1238 114 114 GLY HA2 H 3.912 0.01 . 1239 114 114 GLY HA3 H 4.018 0.01 . 1240 114 114 GLY C C 172.963 0.03 . 1241 114 114 GLY CA C 45.657 0.03 . 1242 114 114 GLY N N 108.608 0.04 . 1243 115 115 HIS H H 7.51 0.01 . 1244 115 115 HIS HA H 4.868 0.01 . 1245 115 115 HIS HB2 H 3.12 0.01 . 1246 115 115 HIS HB3 H 3.305 0.01 . 1247 115 115 HIS C C 172.453 0.03 . 1248 115 115 HIS CA C 53.533 0.03 . 1249 115 115 HIS CB C 30.349 0.03 . 1250 115 115 HIS N N 114.926 0.04 . 1251 116 116 VAL H H 8.46 0.01 . 1252 116 116 VAL HA H 4.268 0.01 . 1253 116 116 VAL HB H 1.998 0.01 . 1254 116 116 VAL HG1 H 0.9496 0.01 . 1255 116 116 VAL HG2 H 0.8184 0.01 . 1256 116 116 VAL C C 176.352 0.03 . 1257 116 116 VAL CA C 62.992 0.03 . 1258 116 116 VAL CB C 31.85 0.03 . 1259 116 116 VAL CG1 C 21.49 0.03 . 1260 116 116 VAL CG2 C 20.34 0.03 . 1261 116 116 VAL N N 122.1 0.04 . 1262 117 117 THR H H 8.55 0.01 . 1263 117 117 THR HA H 4.46 0.01 . 1264 117 117 THR HB H 4.014 0.01 . 1265 117 117 THR HG2 H 1.027 0.01 . 1266 117 117 THR C C 172.762 0.03 . 1267 117 117 THR CA C 61.694 0.03 . 1268 117 117 THR CB C 70.001 0.03 . 1269 117 117 THR CG2 C 20.48 0.03 . 1270 117 117 THR N N 124.7 0.04 . 1271 118 118 GLU H H 8.382 0.01 . 1272 118 118 GLU HA H 4.776 0.01 . 1273 118 118 GLU HB2 H 1.687 0.01 . 1274 118 118 GLU HB3 H 1.687 0.01 . 1275 118 118 GLU HG2 H 1.601 0.01 . 1276 118 118 GLU HG3 H 1.823 0.01 . 1277 118 118 GLU C C 174.419 0.03 . 1278 118 118 GLU CA C 55.038 0.03 . 1279 118 118 GLU CB C 30.835 0.03 . 1280 118 118 GLU CG C 34.63 0.03 . 1281 118 118 GLU N N 126.0 0.04 . 1282 119 119 GLU H H 8.057 0.01 . 1283 119 119 GLU HA H 4.631 0.01 . 1284 119 119 GLU HB2 H 1.419 0.01 . 1285 119 119 GLU HB3 H 1.77 0.01 . 1286 119 119 GLU HG2 H 1.886 0.01 . 1287 119 119 GLU HG3 H 1.886 0.01 . 1288 119 119 GLU C C 173.072 0.03 . 1289 119 119 GLU CA C 54.292 0.03 . 1290 119 119 GLU CB C 32.909 0.03 . 1291 119 119 GLU CG C 34.82 0.03 . 1292 119 119 GLU N N 123.0 0.04 . 1293 120 120 TRP H H 8.212 0.01 . 1294 120 120 TRP HA H 5.322 0.01 . 1295 120 120 TRP HB2 H 2.905 0.01 . 1296 120 120 TRP HB3 H 2.905 0.01 . 1297 120 120 TRP HD1 H 7.4 0.01 . 1298 120 120 TRP HE1 H 10.19 0.01 . 1299 120 120 TRP HH2 H 6.71 0.01 . 1300 120 120 TRP HZ2 H 7.24 0.01 . 1301 120 120 TRP HZ3 H 6.7 0.01 . 1302 120 120 TRP C C 177.336 0.03 . 1303 120 120 TRP CA C 55.672 0.03 . 1304 120 120 TRP CB C 31.259 0.03 . 1305 120 120 TRP N N 118.3 0.04 . 1306 120 120 TRP NE1 N 131.0 0.04 . 1307 121 121 ARG H H 9.012 0.01 . 1308 121 121 ARG HA H 4.488 0.01 . 1309 121 121 ARG HB3 H 0.807 0.01 . 1310 121 121 ARG HD2 H 2.719 0.01 . 1311 121 121 ARG HD3 H 3.09 0.01 . 1312 121 121 ARG HG2 H 1.194 0.01 . 1313 121 121 ARG HG3 H 1.293 0.01 . 1314 121 121 ARG C C 174.321 0.03 . 1315 121 121 ARG CA C 53.631 0.03 . 1316 121 121 ARG CB C 32.865 0.03 . 1317 121 121 ARG CD C 42.12 0.03 . 1318 121 121 ARG CG C 27.43 0.03 . 1319 121 121 ARG N N 120.9 0.04 . 1320 122 122 ASP H H 8.226 0.01 . 1321 122 122 ASP HA H 4.791 0.01 . 1322 122 122 ASP HB2 H 2.454 0.01 . 1323 122 122 ASP HB3 H 2.708 0.01 . 1324 122 122 ASP C C 176.041 0.03 . 1325 122 122 ASP CA C 53.795 0.03 . 1326 122 122 ASP CB C 40.544 0.03 . 1327 122 122 ASP N N 121.6 0.04 . 1328 123 123 LEU H H 8.436 0.01 . 1329 123 123 LEU HA H 4.125 0.01 . 1330 123 123 LEU HB2 H 1.609 0.01 . 1331 123 123 LEU HB3 H 1.609 0.01 . 1332 123 123 LEU HD1 H 0.6963 0.01 . 1333 123 123 LEU HD2 H 0.6963 0.01 . 1334 123 123 LEU HG H 1.56 0.01 . 1335 123 123 LEU C C 175.964 0.03 . 1336 123 123 LEU CA C 54.997 0.03 . 1337 123 123 LEU CB C 41.765 0.03 . 1338 123 123 LEU CD1 C 24.46 0.03 . 1339 123 123 LEU CD2 C 22.58 0.03 . 1340 123 123 LEU CG C 27.21 0.03 . 1341 123 123 LEU N N 120.7 0.04 . 1342 124 124 GLN H H 9.02 0.01 . 1343 124 124 GLN HA H 4.738 0.01 . 1344 124 124 GLN HB2 H 2.238 0.01 . 1345 124 124 GLN HB3 H 2.238 0.01 . 1346 124 124 GLN HE21 H 7.507 0.01 . 1347 124 124 GLN HE22 H 6.783 0.01 . 1348 124 124 GLN HG2 H 2.238 0.01 . 1349 124 124 GLN HG3 H 2.51 0.01 . 1350 124 124 GLN C C 175.183 0.03 . 1351 124 124 GLN CA C 53.278 0.03 . 1352 124 124 GLN CB C 31.232 0.03 . 1353 124 124 GLN CG C 33.29 0.03 . 1354 124 124 GLN N N 119.2 0.04 . 1355 124 124 GLN NE2 N 112.5 0.04 . 1356 125 125 SER H H 8.543 0.01 . 1357 125 125 SER HA H 4.235 0.01 . 1358 125 125 SER HB2 H 3.834 0.01 . 1359 125 125 SER HB3 H 3.834 0.01 . 1360 125 125 SER C C 174.609 0.03 . 1361 125 125 SER CA C 58.477 0.03 . 1362 125 125 SER CB C 63.274 0.03 . 1363 125 125 SER N N 115.3 0.04 . 1364 126 126 ALA H H 8.64 0.01 . 1365 126 126 ALA HA H 4.216 0.01 . 1366 126 126 ALA HB H 1.2 0.01 . 1367 126 126 ALA C C 176.876 0.03 . 1368 126 126 ALA CA C 51.636 0.03 . 1369 126 126 ALA CB C 19.845 0.03 . 1370 126 126 ALA N N 126.9 0.04 . 1371 127 127 GLU H H 8.204 0.01 . 1372 127 127 GLU HA H 4.176 0.01 . 1373 127 127 GLU HB2 H 1.854 0.01 . 1374 127 127 GLU HB3 H 1.993 0.01 . 1375 127 127 GLU HG2 H 2.194 0.01 . 1376 127 127 GLU HG3 H 2.194 0.01 . 1377 127 127 GLU C C 175.129 0.03 . 1378 127 127 GLU CA C 56.142 0.03 . 1379 127 127 GLU CB C 29.996 0.03 . 1380 127 127 GLU CG C 35.61 0.03 . 1381 127 127 GLU N N 120.6 0.04 . 1382 128 128 LYS H H 7.884 0.01 . 1383 128 128 LYS HA H 4.1 0.01 . 1384 128 128 LYS HB2 H 1.66 0.01 . 1385 128 128 LYS HB3 H 1.78 0.01 . 1386 128 128 LYS HD2 H 1.732 0.01 . 1387 128 128 LYS HD3 H 1.732 0.01 . 1388 128 128 LYS HE2 H 2.904 0.01 . 1389 128 128 LYS HE3 H 2.904 0.01 . 1390 128 128 LYS HG2 H 1.298 0.01 . 1391 128 128 LYS HG3 H 1.298 0.01 . 1392 128 128 LYS C C 180.8 0.03 . 1393 128 128 LYS CA C 57.285 0.03 . 1394 128 128 LYS CB C 33.16 0.03 . 1395 128 128 LYS CD C 32.13 0.03 . 1396 128 128 LYS CE C 41.62 0.03 . 1397 128 128 LYS CG C 24.32 0.03 . 1398 128 128 LYS N N 127.42 0.04 . stop_ save_