data_25567 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the apo-form of the flavoprotein YP_193882.1 from Lactobacillus acidophilus NCFM ; _BMRB_accession_number 25567 _BMRB_flat_file_name bmr25567.str _Entry_type original _Submission_date 2015-04-08 _Accession_date 2015-04-08 _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 Dutta Samit K. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 795 "13C chemical shifts" 551 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-04-20 original BMRB . stop_ _Original_release_date 2015-04-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the apo-form of the flavoprotein YP_193882.1 from Lactobacillus acidophilus NCFM ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dutta Samit K. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name YP_193882.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 17079.189 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; GMAKKTLILYYSWSGETKKM AEKINSEIKDSELKEVKVSE GTFDADMYKTSDIALDQIQG NKDFPEIQLDNIDYNNYDLI LIGSPVWSGYPATPIKTLLD QMKNYRGEVASFFTSAGTNH KAYVSHFNEWADGLNVIGVA RDDSEVDKWSK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 MET 3 ALA 4 LYS 5 LYS 6 THR 7 LEU 8 ILE 9 LEU 10 TYR 11 TYR 12 SER 13 TRP 14 SER 15 GLY 16 GLU 17 THR 18 LYS 19 LYS 20 MET 21 ALA 22 GLU 23 LYS 24 ILE 25 ASN 26 SER 27 GLU 28 ILE 29 LYS 30 ASP 31 SER 32 GLU 33 LEU 34 LYS 35 GLU 36 VAL 37 LYS 38 VAL 39 SER 40 GLU 41 GLY 42 THR 43 PHE 44 ASP 45 ALA 46 ASP 47 MET 48 TYR 49 LYS 50 THR 51 SER 52 ASP 53 ILE 54 ALA 55 LEU 56 ASP 57 GLN 58 ILE 59 GLN 60 GLY 61 ASN 62 LYS 63 ASP 64 PHE 65 PRO 66 GLU 67 ILE 68 GLN 69 LEU 70 ASP 71 ASN 72 ILE 73 ASP 74 TYR 75 ASN 76 ASN 77 TYR 78 ASP 79 LEU 80 ILE 81 LEU 82 ILE 83 GLY 84 SER 85 PRO 86 VAL 87 TRP 88 SER 89 GLY 90 TYR 91 PRO 92 ALA 93 THR 94 PRO 95 ILE 96 LYS 97 THR 98 LEU 99 LEU 100 ASP 101 GLN 102 MET 103 LYS 104 ASN 105 TYR 106 ARG 107 GLY 108 GLU 109 VAL 110 ALA 111 SER 112 PHE 113 PHE 114 THR 115 SER 116 ALA 117 GLY 118 THR 119 ASN 120 HIS 121 LYS 122 ALA 123 TYR 124 VAL 125 SER 126 HIS 127 PHE 128 ASN 129 GLU 130 TRP 131 ALA 132 ASP 133 GLY 134 LEU 135 ASN 136 VAL 137 ILE 138 GLY 139 VAL 140 ALA 141 ARG 142 ASP 143 ASP 144 SER 145 GLU 146 VAL 147 ASP 148 LYS 149 TRP 150 SER 151 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 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 25342 entity 100.00 151 100.00 100.00 2.34e-105 PDB 2MWM "Nmr Structure Of The Protein Yp_193882.1 From Lactobacillus Acidophilus Ncfm In Presence Of Fmn" 100.00 151 100.00 100.00 2.34e-105 PDB 2N1M "Nmr Structure Of The Apo-form Of The Flavoprotein Yp_193882.1 From Lactobacillus Acidophilus Ncfm" 100.00 151 100.00 100.00 2.34e-105 PDB 3EDO "Crystal Structure Of Flavoprotein In Complex With Fmn (Yp_193882.1) From Lactobacillus Acidophilus Ncfm At 1.20 A Resolution" 100.00 151 97.35 97.35 4.23e-101 EMBL CDF67787 "Putative trp repressor binding protein [Lactobacillus acidophilus CIP 76.13]" 99.34 150 100.00 100.00 1.57e-104 EMBL CDF69462 "Putative trp repressor binding protein [Lactobacillus acidophilus CIRM-BIA 442]" 99.34 150 100.00 100.00 1.57e-104 EMBL CDF71219 "Putative trp repressor binding protein [Lactobacillus acidophilus CIRM-BIA 445]" 99.34 150 99.33 100.00 1.00e-103 EMBL CDF73047 "Putative trp repressor binding protein [Lactobacillus acidophilus DSM 9126]" 99.34 150 100.00 100.00 1.57e-104 EMBL CDF75037 "Putative trp repressor binding protein [Lactobacillus acidophilus DSM 20242]" 99.34 150 100.00 100.00 1.57e-104 GB AAV42851 "putative trp repressor binding protein [Lactobacillus acidophilus NCFM]" 99.34 150 100.00 100.00 1.57e-104 GB AGK94185 "Flavodoxin [Lactobacillus acidophilus La-14]" 99.34 150 100.00 100.00 1.57e-104 GB AJP46408 "Trp operon repressor [Lactobacillus acidophilus]" 99.34 150 100.00 100.00 1.57e-104 GB EEJ75695 "hypothetical protein HMPREF0492_1347 [Lactobacillus acidophilus ATCC 4796]" 99.34 150 100.00 100.00 1.57e-104 GB KHE30356 "Trp operon repressor [Lactobacillus acidophilus]" 99.34 150 100.00 100.00 1.57e-104 REF WP_003547179 "Trp operon repressor [Lactobacillus acidophilus]" 99.34 150 100.00 100.00 1.57e-104 REF WP_021874216 "trp repressor-binding protein [Lactobacillus acidophilus]" 99.34 150 99.33 100.00 1.00e-103 REF YP_193882 "trp repressor binding protein [Lactobacillus acidophilus NCFM]" 99.34 150 100.00 100.00 1.57e-104 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 Firmicutes 272621 Bacteria . Lactobacillus acidophilus 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 'recombinant technology' . Escherichia coli pSpeedET BL21DE3 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 1.2 mM '[U-99% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G ntert P.' . . 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' refinement stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.0798 . M pH 6.0 . pH pressure 1 . atm temperature 308 . 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 DSS H 1 'methyl protons' ppm 0.00 internal 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_ _Software_label $CYANA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 _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 GLY HA2 H 3.801 0.007 . 2 1 1 GLY HA3 H 3.801 0.007 . 3 1 1 GLY C C 167.310 0.166 . 4 1 1 GLY CA C 40.787 0.166 . 5 2 2 MET HA H 4.416 0.007 . 6 2 2 MET HE H 2.045 0.007 . 7 2 2 MET CA C 52.847 0.166 . 8 2 2 MET CB C 30.672 0.166 . 9 2 2 MET CE C 14.503 0.166 . 10 3 3 ALA H H 8.342 0.007 . 11 3 3 ALA HA H 4.372 0.007 . 12 3 3 ALA HB H 1.337 0.007 . 13 3 3 ALA C C 174.728 0.166 . 14 3 3 ALA CA C 49.348 0.166 . 15 3 3 ALA CB C 16.935 0.166 . 16 3 3 ALA N N 125.563 0.121 . 17 4 4 LYS H H 8.500 0.007 . 18 4 4 LYS HA H 4.230 0.007 . 19 4 4 LYS HB2 H 1.487 0.007 . 20 4 4 LYS HB3 H 1.660 0.007 . 21 4 4 LYS HG2 H 1.284 0.007 . 22 4 4 LYS HG3 H 1.393 0.007 . 23 4 4 LYS HD2 H 1.523 0.007 . 24 4 4 LYS HD3 H 1.616 0.007 . 25 4 4 LYS HE2 H 2.794 0.007 . 26 4 4 LYS HE3 H 2.794 0.007 . 27 4 4 LYS C C 174.577 0.166 . 28 4 4 LYS CA C 53.989 0.166 . 29 4 4 LYS CB C 31.555 0.166 . 30 4 4 LYS CG C 23.195 0.166 . 31 4 4 LYS CD C 28.282 0.166 . 32 4 4 LYS CE C 39.900 0.166 . 33 4 4 LYS N N 121.767 0.121 . 34 5 5 LYS H H 10.035 0.007 . 35 5 5 LYS HA H 4.526 0.007 . 36 5 5 LYS HB2 H 1.898 0.007 . 37 5 5 LYS HB3 H 1.865 0.007 . 38 5 5 LYS HG2 H 1.470 0.007 . 39 5 5 LYS HG3 H 1.580 0.007 . 40 5 5 LYS HD2 H 1.651 0.007 . 41 5 5 LYS HD3 H 1.699 0.007 . 42 5 5 LYS HE2 H 2.828 0.007 . 43 5 5 LYS HE3 H 2.828 0.007 . 44 5 5 LYS C C 174.731 0.166 . 45 5 5 LYS CA C 54.746 0.166 . 46 5 5 LYS CB C 29.894 0.166 . 47 5 5 LYS CG C 22.297 0.166 . 48 5 5 LYS CD C 26.385 0.166 . 49 5 5 LYS CE C 39.540 0.166 . 50 5 5 LYS N N 129.654 0.121 . 51 6 6 THR H H 8.557 0.007 . 52 6 6 THR HA H 5.654 0.007 . 53 6 6 THR HB H 3.730 0.007 . 54 6 6 THR HG2 H 0.988 0.007 . 55 6 6 THR C C 169.897 0.166 . 56 6 6 THR CA C 60.647 0.166 . 57 6 6 THR CB C 68.152 0.166 . 58 6 6 THR CG2 C 18.493 0.166 . 59 6 6 THR N N 126.212 0.121 . 60 7 7 LEU H H 8.610 0.007 . 61 7 7 LEU HA H 4.619 0.007 . 62 7 7 LEU HB2 H -0.216 0.007 . 63 7 7 LEU HB3 H 1.178 0.007 . 64 7 7 LEU HG H 1.050 0.007 . 65 7 7 LEU HD1 H 0.421 0.007 . 66 7 7 LEU HD2 H 0.384 0.007 . 67 7 7 LEU CA C 50.096 0.166 . 68 7 7 LEU CB C 41.043 0.166 . 69 7 7 LEU CG C 24.339 0.166 . 70 7 7 LEU CD1 C 19.511 0.166 . 71 7 7 LEU CD2 C 24.253 0.166 . 72 7 7 LEU N N 130.776 0.121 . 73 8 8 ILE H H 9.263 0.007 . 74 8 8 ILE HA H 4.856 0.007 . 75 8 8 ILE HB H 1.931 0.007 . 76 8 8 ILE HG12 H 1.590 0.007 . 77 8 8 ILE HG13 H 0.874 0.007 . 78 8 8 ILE HG2 H 0.953 0.007 . 79 8 8 ILE HD1 H 0.830 0.007 . 80 8 8 ILE CA C 57.392 0.166 . 81 8 8 ILE CB C 36.864 0.166 . 82 8 8 ILE CG1 C 25.666 0.166 . 83 8 8 ILE CG2 C 16.012 0.166 . 84 8 8 ILE CD1 C 13.420 0.166 . 85 8 8 ILE N N 127.175 0.121 . 86 9 9 LEU H H 9.262 0.007 . 87 9 9 LEU HA H 5.696 0.007 . 88 9 9 LEU HB2 H 1.576 0.007 . 89 9 9 LEU HB3 H 1.055 0.007 . 90 9 9 LEU HG H 1.376 0.007 . 91 9 9 LEU HD1 H 0.771 0.007 . 92 9 9 LEU HD2 H 0.784 0.007 . 93 9 9 LEU CA C 49.952 0.166 . 94 9 9 LEU CB C 43.827 0.166 . 95 9 9 LEU CG C 24.792 0.166 . 96 9 9 LEU CD1 C 23.042 0.166 . 97 9 9 LEU CD2 C 24.900 0.166 . 98 9 9 LEU N N 127.117 0.121 . 99 10 10 TYR H H 7.425 0.007 . 100 10 10 TYR HA H 5.531 0.007 . 101 10 10 TYR HB2 H 2.491 0.007 . 102 10 10 TYR HB3 H 2.620 0.007 . 103 10 10 TYR HD1 H 6.664 0.007 . 104 10 10 TYR HD2 H 6.664 0.007 . 105 10 10 TYR HE1 H 6.871 0.007 . 106 10 10 TYR HE2 H 6.871 0.007 . 107 10 10 TYR CA C 52.829 0.166 . 108 10 10 TYR CB C 38.615 0.166 . 109 10 10 TYR CD1 C 122.963 0.166 . 110 10 10 TYR CE1 C 113.954 0.166 . 111 10 10 TYR N N 113.544 0.121 . 112 11 11 TYR H H 7.781 0.007 . 113 11 11 TYR HA H 4.810 0.007 . 114 11 11 TYR HB2 H 2.482 0.007 . 115 11 11 TYR HB3 H 2.612 0.007 . 116 11 11 TYR HD1 H 6.870 0.007 . 117 11 11 TYR HD2 H 6.870 0.007 . 118 11 11 TYR HE1 H 6.847 0.007 . 119 11 11 TYR HE2 H 6.847 0.007 . 120 11 11 TYR CA C 53.889 0.166 . 121 11 11 TYR CB C 40.467 0.166 . 122 11 11 TYR CD2 C 125.599 0.166 . 123 11 11 TYR CE1 C 113.972 0.166 . 124 11 11 TYR N N 121.235 0.121 . 125 14 14 SER CA C 54.675 0.166 . 126 14 14 SER CB C 61.621 0.166 . 127 15 15 GLY H H 7.757 0.007 . 128 15 15 GLY HA2 H 3.635 0.007 . 129 15 15 GLY HA3 H 4.384 0.007 . 130 15 15 GLY CA C 43.727 0.166 . 131 15 15 GLY N N 110.420 0.121 . 132 17 17 THR HA H 4.122 0.007 . 133 17 17 THR HB H 3.819 0.007 . 134 17 17 THR HG2 H 1.102 0.007 . 135 17 17 THR CA C 64.748 0.166 . 136 17 17 THR CB C 64.532 0.166 . 137 17 17 THR CG2 C 19.020 0.166 . 138 18 18 LYS HA H 2.918 0.007 . 139 18 18 LYS HB2 H 1.538 0.007 . 140 18 18 LYS HB3 H 1.713 0.007 . 141 18 18 LYS HG2 H 0.924 0.007 . 142 18 18 LYS HG3 H 1.074 0.007 . 143 18 18 LYS HD2 H 1.603 0.007 . 144 18 18 LYS HD3 H 1.603 0.007 . 145 18 18 LYS HE2 H 2.892 0.007 . 146 18 18 LYS HE3 H 2.892 0.007 . 147 18 18 LYS C C 173.812 0.166 . 148 18 18 LYS CA C 57.003 0.166 . 149 18 18 LYS CB C 29.768 0.166 . 150 18 18 LYS CG C 21.323 0.166 . 151 18 18 LYS CD C 25.692 0.166 . 152 18 18 LYS CE C 39.445 0.166 . 153 19 19 LYS H H 7.476 0.007 . 154 19 19 LYS HA H 3.948 0.007 . 155 19 19 LYS HB2 H 1.732 0.007 . 156 19 19 LYS HB3 H 1.732 0.007 . 157 19 19 LYS HG2 H 1.352 0.007 . 158 19 19 LYS HG3 H 1.472 0.007 . 159 19 19 LYS HD2 H 1.609 0.007 . 160 19 19 LYS HD3 H 1.554 0.007 . 161 19 19 LYS HE2 H 2.854 0.007 . 162 19 19 LYS HE3 H 2.854 0.007 . 163 19 19 LYS C C 177.221 0.166 . 164 19 19 LYS CA C 56.421 0.166 . 165 19 19 LYS CB C 29.634 0.166 . 166 19 19 LYS CG C 22.674 0.166 . 167 19 19 LYS CD C 26.686 0.166 . 168 19 19 LYS CE C 39.419 0.166 . 169 19 19 LYS N N 116.699 0.121 . 170 20 20 MET H H 7.457 0.007 . 171 20 20 MET HA H 4.474 0.007 . 172 20 20 MET HB2 H 1.964 0.007 . 173 20 20 MET HB3 H 2.110 0.007 . 174 20 20 MET HE H 1.809 0.007 . 175 20 20 MET C C 173.826 0.166 . 176 20 20 MET CA C 52.285 0.166 . 177 20 20 MET CB C 26.921 0.166 . 178 20 20 MET CE C 11.607 0.166 . 179 20 20 MET N N 118.946 0.121 . 180 21 21 ALA H H 8.549 0.007 . 181 21 21 ALA HA H 3.552 0.007 . 182 21 21 ALA HB H 0.935 0.007 . 183 21 21 ALA C C 176.542 0.166 . 184 21 21 ALA CA C 52.651 0.166 . 185 21 21 ALA CB C 16.282 0.166 . 186 21 21 ALA N N 123.375 0.121 . 187 22 22 GLU H H 8.085 0.007 . 188 22 22 GLU HA H 3.673 0.007 . 189 22 22 GLU HB2 H 2.026 0.007 . 190 22 22 GLU HB3 H 1.755 0.007 . 191 22 22 GLU HG2 H 1.979 0.007 . 192 22 22 GLU HG3 H 2.251 0.007 . 193 22 22 GLU C C 176.658 0.166 . 194 22 22 GLU CA C 56.605 0.166 . 195 22 22 GLU CB C 26.649 0.166 . 196 22 22 GLU CG C 34.465 0.166 . 197 22 22 GLU N N 116.906 0.121 . 198 23 23 LYS H H 7.703 0.007 . 199 23 23 LYS HA H 3.820 0.007 . 200 23 23 LYS HB2 H 1.729 0.007 . 201 23 23 LYS HB3 H 2.068 0.007 . 202 23 23 LYS HG2 H 1.182 0.007 . 203 23 23 LYS HG3 H 1.118 0.007 . 204 23 23 LYS HD2 H 1.369 0.007 . 205 23 23 LYS HD3 H 1.433 0.007 . 206 23 23 LYS HE2 H 2.744 0.007 . 207 23 23 LYS HE3 H 2.744 0.007 . 208 23 23 LYS C C 177.363 0.166 . 209 23 23 LYS CA C 56.971 0.166 . 210 23 23 LYS CB C 29.531 0.166 . 211 23 23 LYS CG C 22.096 0.166 . 212 23 23 LYS CD C 27.139 0.166 . 213 23 23 LYS CE C 39.420 0.166 . 214 23 23 LYS N N 123.301 0.121 . 215 24 24 ILE H H 8.458 0.007 . 216 24 24 ILE HA H 3.296 0.007 . 217 24 24 ILE HB H 1.268 0.007 . 218 24 24 ILE HG12 H 0.361 0.007 . 219 24 24 ILE HG13 H 1.346 0.007 . 220 24 24 ILE HG2 H 0.521 0.007 . 221 24 24 ILE HD1 H -0.674 0.007 . 222 24 24 ILE C C 174.944 0.166 . 223 24 24 ILE CA C 63.233 0.166 . 224 24 24 ILE CB C 34.744 0.166 . 225 24 24 ILE CG1 C 27.767 0.166 . 226 24 24 ILE CG2 C 14.809 0.166 . 227 24 24 ILE CD1 C 8.685 0.166 . 228 24 24 ILE N N 121.894 0.121 . 229 25 25 ASN H H 8.273 0.007 . 230 25 25 ASN HA H 4.234 0.007 . 231 25 25 ASN HB2 H 2.652 0.007 . 232 25 25 ASN HB3 H 2.913 0.007 . 233 25 25 ASN HD21 H 6.109 0.007 . 234 25 25 ASN HD22 H 7.706 0.007 . 235 25 25 ASN C C 173.567 0.166 . 236 25 25 ASN CA C 52.324 0.166 . 237 25 25 ASN CB C 38.183 0.166 . 238 25 25 ASN N N 118.580 0.121 . 239 25 25 ASN ND2 N 112.442 0.121 . 240 26 26 SER H H 7.444 0.007 . 241 26 26 SER HA H 4.148 0.007 . 242 26 26 SER HB2 H 3.916 0.007 . 243 26 26 SER HB3 H 3.871 0.007 . 244 26 26 SER C C 172.083 0.166 . 245 26 26 SER CA C 57.865 0.166 . 246 26 26 SER CB C 60.816 0.166 . 247 26 26 SER N N 112.132 0.121 . 248 27 27 GLU H H 7.453 0.007 . 249 27 27 GLU HA H 4.100 0.007 . 250 27 27 GLU HB2 H 2.120 0.007 . 251 27 27 GLU HB3 H 1.907 0.007 . 252 27 27 GLU HG2 H 2.517 0.007 . 253 27 27 GLU HG3 H 2.250 0.007 . 254 27 27 GLU C C 173.647 0.166 . 255 27 27 GLU CA C 54.202 0.166 . 256 27 27 GLU CB C 26.884 0.166 . 257 27 27 GLU CG C 30.375 0.166 . 258 27 27 GLU N N 120.080 0.121 . 259 28 28 ILE H H 7.258 0.007 . 260 28 28 ILE HA H 4.204 0.007 . 261 28 28 ILE HB H 1.573 0.007 . 262 28 28 ILE HG12 H 1.594 0.007 . 263 28 28 ILE HG13 H 0.742 0.007 . 264 28 28 ILE HG2 H 0.898 0.007 . 265 28 28 ILE HD1 H 0.702 0.007 . 266 28 28 ILE C C 172.474 0.166 . 267 28 28 ILE CA C 57.747 0.166 . 268 28 28 ILE CB C 35.798 0.166 . 269 28 28 ILE CG1 C 23.550 0.166 . 270 28 28 ILE CG2 C 15.591 0.166 . 271 28 28 ILE CD1 C 12.757 0.166 . 272 28 28 ILE N N 118.759 0.121 . 273 29 29 LYS H H 8.588 0.007 . 274 29 29 LYS HA H 4.005 0.007 . 275 29 29 LYS HB2 H 1.665 0.007 . 276 29 29 LYS HB3 H 1.735 0.007 . 277 29 29 LYS HG2 H 1.401 0.007 . 278 29 29 LYS HG3 H 1.361 0.007 . 279 29 29 LYS HD2 H 1.604 0.007 . 280 29 29 LYS HD3 H 1.604 0.007 . 281 29 29 LYS HE2 H 2.898 0.007 . 282 29 29 LYS HE3 H 2.898 0.007 . 283 29 29 LYS C C 174.375 0.166 . 284 29 29 LYS CA C 55.659 0.166 . 285 29 29 LYS CB C 29.560 0.166 . 286 29 29 LYS CG C 22.007 0.166 . 287 29 29 LYS CD C 26.486 0.166 . 288 29 29 LYS CE C 39.652 0.166 . 289 29 29 LYS N N 130.618 0.121 . 290 30 30 ASP H H 8.940 0.007 . 291 30 30 ASP HA H 4.402 0.007 . 292 30 30 ASP HB2 H 2.960 0.007 . 293 30 30 ASP HB3 H 2.931 0.007 . 294 30 30 ASP C C 172.580 0.166 . 295 30 30 ASP CA C 53.624 0.166 . 296 30 30 ASP CB C 36.828 0.166 . 297 30 30 ASP N N 119.366 0.121 . 298 31 31 SER H H 8.030 0.007 . 299 31 31 SER HA H 4.781 0.007 . 300 31 31 SER HB2 H 3.778 0.007 . 301 31 31 SER HB3 H 3.649 0.007 . 302 31 31 SER C C 171.136 0.166 . 303 31 31 SER CA C 55.638 0.166 . 304 31 31 SER CB C 62.388 0.166 . 305 31 31 SER N N 114.035 0.121 . 306 32 32 GLU H H 8.188 0.007 . 307 32 32 GLU HA H 4.735 0.007 . 308 32 32 GLU HB2 H 1.918 0.007 . 309 32 32 GLU HB3 H 1.961 0.007 . 310 32 32 GLU HG2 H 2.356 0.007 . 311 32 32 GLU HG3 H 2.209 0.007 . 312 32 32 GLU C C 171.205 0.166 . 313 32 32 GLU CA C 52.069 0.166 . 314 32 32 GLU CB C 30.890 0.166 . 315 32 32 GLU CG C 34.134 0.166 . 316 32 32 GLU N N 121.406 0.121 . 317 33 33 LEU H H 8.627 0.007 . 318 33 33 LEU HA H 5.285 0.007 . 319 33 33 LEU HB2 H 1.772 0.007 . 320 33 33 LEU HB3 H 1.002 0.007 . 321 33 33 LEU HG H 1.446 0.007 . 322 33 33 LEU HD1 H 0.791 0.007 . 323 33 33 LEU HD2 H 0.840 0.007 . 324 33 33 LEU C C 173.401 0.166 . 325 33 33 LEU CA C 51.334 0.166 . 326 33 33 LEU CB C 43.623 0.166 . 327 33 33 LEU CG C 24.968 0.166 . 328 33 33 LEU CD1 C 24.234 0.166 . 329 33 33 LEU CD2 C 23.533 0.166 . 330 33 33 LEU N N 126.143 0.121 . 331 34 34 LYS H H 9.399 0.007 . 332 34 34 LYS HA H 4.599 0.007 . 333 34 34 LYS HB2 H 1.684 0.007 . 334 34 34 LYS HB3 H 1.558 0.007 . 335 34 34 LYS HG2 H 1.269 0.007 . 336 34 34 LYS HG3 H 1.154 0.007 . 337 34 34 LYS HD2 H 1.499 0.007 . 338 34 34 LYS HD3 H 1.761 0.007 . 339 34 34 LYS HE2 H 2.798 0.007 . 340 34 34 LYS HE3 H 2.896 0.007 . 341 34 34 LYS C C 169.644 0.166 . 342 34 34 LYS CA C 52.353 0.166 . 343 34 34 LYS CB C 34.172 0.166 . 344 34 34 LYS CG C 22.863 0.166 . 345 34 34 LYS CD C 26.492 0.166 . 346 34 34 LYS CE C 39.695 0.166 . 347 34 34 LYS N N 127.122 0.121 . 348 35 35 GLU H H 8.166 0.007 . 349 35 35 GLU HA H 3.358 0.007 . 350 35 35 GLU HB2 H 1.656 0.007 . 351 35 35 GLU HB3 H 1.656 0.007 . 352 35 35 GLU HG2 H 1.672 0.007 . 353 35 35 GLU HG3 H 1.672 0.007 . 354 35 35 GLU C C 172.875 0.166 . 355 35 35 GLU CA C 52.640 0.166 . 356 35 35 GLU CB C 29.268 0.166 . 357 35 35 GLU CG C 33.978 0.166 . 358 35 35 GLU N N 122.766 0.121 . 359 36 36 VAL H H 8.632 0.007 . 360 36 36 VAL HA H 3.861 0.007 . 361 36 36 VAL HB H 1.938 0.007 . 362 36 36 VAL HG1 H 0.761 0.007 . 363 36 36 VAL HG2 H 0.787 0.007 . 364 36 36 VAL C C 171.451 0.166 . 365 36 36 VAL CA C 59.537 0.166 . 366 36 36 VAL CB C 29.689 0.166 . 367 36 36 VAL CG1 C 19.350 0.166 . 368 36 36 VAL CG2 C 19.926 0.166 . 369 36 36 VAL N N 126.674 0.121 . 370 37 37 LYS H H 7.867 0.007 . 371 37 37 LYS HA H 4.939 0.007 . 372 37 37 LYS HB2 H 1.676 0.007 . 373 37 37 LYS HB3 H 1.893 0.007 . 374 37 37 LYS HG2 H 1.314 0.007 . 375 37 37 LYS HG3 H 1.314 0.007 . 376 37 37 LYS HD2 H 1.601 0.007 . 377 37 37 LYS HD3 H 1.601 0.007 . 378 37 37 LYS HE2 H 2.901 0.007 . 379 37 37 LYS HE3 H 2.901 0.007 . 380 37 37 LYS CA C 52.179 0.166 . 381 37 37 LYS CB C 32.898 0.166 . 382 37 37 LYS CG C 22.968 0.166 . 383 37 37 LYS CD C 26.413 0.166 . 384 37 37 LYS CE C 39.691 0.166 . 385 37 37 LYS N N 126.181 0.121 . 386 38 38 VAL H H 8.389 0.007 . 387 38 38 VAL HA H 4.686 0.007 . 388 38 38 VAL HB H 2.276 0.007 . 389 38 38 VAL HG1 H 0.935 0.007 . 390 38 38 VAL HG2 H 0.998 0.007 . 391 38 38 VAL C C 173.633 0.166 . 392 38 38 VAL CA C 57.284 0.166 . 393 38 38 VAL CB C 31.964 0.166 . 394 38 38 VAL CG1 C 19.820 0.166 . 395 38 38 VAL CG2 C 17.816 0.166 . 396 38 38 VAL N N 113.540 0.121 . 397 39 39 SER H H 8.668 0.007 . 398 39 39 SER HA H 4.194 0.007 . 399 39 39 SER HB2 H 3.715 0.007 . 400 39 39 SER HB3 H 3.669 0.007 . 401 39 39 SER C C 173.059 0.166 . 402 39 39 SER CA C 56.227 0.166 . 403 39 39 SER CB C 60.771 0.166 . 404 39 39 SER N N 118.860 0.121 . 405 40 40 GLU H H 8.878 0.007 . 406 40 40 GLU HA H 4.157 0.007 . 407 40 40 GLU HB2 H 1.980 0.007 . 408 40 40 GLU HB3 H 1.980 0.007 . 409 40 40 GLU HG2 H 2.305 0.007 . 410 40 40 GLU HG3 H 2.305 0.007 . 411 40 40 GLU C C 174.484 0.166 . 412 40 40 GLU CA C 55.550 0.166 . 413 40 40 GLU CB C 27.054 0.166 . 414 40 40 GLU CG C 33.567 0.166 . 415 40 40 GLU N N 125.769 0.121 . 416 41 41 GLY H H 8.743 0.007 . 417 41 41 GLY HA2 H 4.095 0.007 . 418 41 41 GLY HA3 H 3.811 0.007 . 419 41 41 GLY CA C 42.707 0.166 . 420 41 41 GLY N N 112.165 0.121 . 421 44 44 ASP H H 7.918 0.007 . 422 44 44 ASP HB2 H 2.390 0.007 . 423 44 44 ASP HB3 H 2.675 0.007 . 424 44 44 ASP CB C 42.156 0.166 . 425 44 44 ASP N N 122.324 0.121 . 426 45 45 ALA HA H 4.062 0.007 . 427 45 45 ALA CA C 51.410 0.166 . 428 45 45 ALA CB C 16.376 0.166 . 429 47 47 MET CA C 54.118 0.166 . 430 47 47 MET CB C 27.527 0.166 . 431 48 48 TYR H H 7.810 0.007 . 432 48 48 TYR HA H 4.154 0.007 . 433 48 48 TYR HB2 H 3.006 0.007 . 434 48 48 TYR HB3 H 3.006 0.007 . 435 48 48 TYR HD1 H 7.014 0.007 . 436 48 48 TYR HD2 H 7.014 0.007 . 437 48 48 TYR HE1 H 6.698 0.007 . 438 48 48 TYR HE2 H 6.698 0.007 . 439 48 48 TYR C C 172.217 0.166 . 440 48 48 TYR CA C 57.377 0.166 . 441 48 48 TYR CB C 34.496 0.166 . 442 48 48 TYR CD1 C 128.175 0.166 . 443 48 48 TYR CE1 C 113.563 0.166 . 444 48 48 TYR N N 120.075 0.121 . 445 49 49 LYS H H 8.116 0.007 . 446 49 49 LYS N N 118.369 0.121 . 447 50 50 THR H H 7.741 0.007 . 448 50 50 THR HB H 3.793 0.007 . 449 50 50 THR HG2 H 0.402 0.007 . 450 50 50 THR CB C 66.373 0.166 . 451 50 50 THR CG2 C 18.065 0.166 . 452 50 50 THR N N 116.979 0.121 . 453 51 51 SER H H 7.853 0.007 . 454 51 51 SER HA H 3.771 0.007 . 455 51 51 SER HB2 H 3.682 0.007 . 456 51 51 SER HB3 H 3.682 0.007 . 457 51 51 SER C C 170.563 0.166 . 458 51 51 SER CA C 54.840 0.166 . 459 51 51 SER CB C 60.318 0.166 . 460 51 51 SER N N 116.155 0.121 . 461 54 54 ALA H H 8.207 0.007 . 462 54 54 ALA HA H 4.248 0.007 . 463 54 54 ALA HB H 1.438 0.007 . 464 54 54 ALA CA C 51.268 0.166 . 465 54 54 ALA CB C 16.434 0.166 . 466 54 54 ALA N N 123.234 0.121 . 467 55 55 LEU H H 7.960 0.007 . 468 55 55 LEU HA H 3.940 0.007 . 469 55 55 LEU HB2 H 1.613 0.007 . 470 55 55 LEU HB3 H 1.487 0.007 . 471 55 55 LEU HG H 1.546 0.007 . 472 55 55 LEU HD1 H 0.800 0.007 . 473 55 55 LEU HD2 H 0.756 0.007 . 474 55 55 LEU CA C 54.711 0.166 . 475 55 55 LEU CB C 38.913 0.166 . 476 55 55 LEU CG C 24.631 0.166 . 477 55 55 LEU CD1 C 21.849 0.166 . 478 55 55 LEU CD2 C 21.222 0.166 . 479 55 55 LEU N N 118.603 0.121 . 480 58 58 ILE HA H 3.676 0.007 . 481 58 58 ILE HB H 1.650 0.007 . 482 58 58 ILE HG12 H 0.899 0.007 . 483 58 58 ILE HG13 H 1.557 0.007 . 484 58 58 ILE HG2 H 0.557 0.007 . 485 58 58 ILE HD1 H 0.416 0.007 . 486 58 58 ILE CA C 61.494 0.166 . 487 58 58 ILE CB C 36.054 0.166 . 488 58 58 ILE CG1 C 27.341 0.166 . 489 58 58 ILE CG2 C 14.582 0.166 . 490 58 58 ILE CD1 C 10.478 0.166 . 491 59 59 GLN H H 8.268 0.007 . 492 59 59 GLN HA H 4.133 0.007 . 493 59 59 GLN HB2 H 1.969 0.007 . 494 59 59 GLN HB3 H 2.069 0.007 . 495 59 59 GLN HG2 H 2.408 0.007 . 496 59 59 GLN HG3 H 2.280 0.007 . 497 59 59 GLN HE21 H 6.724 0.007 . 498 59 59 GLN HE22 H 7.145 0.007 . 499 59 59 GLN CA C 54.009 0.166 . 500 59 59 GLN CB C 26.651 0.166 . 501 59 59 GLN CG C 31.840 0.166 . 502 59 59 GLN N N 117.579 0.121 . 503 59 59 GLN NE2 N 110.747 0.121 . 504 60 60 GLY H H 7.780 0.007 . 505 60 60 GLY HA2 H 3.968 0.007 . 506 60 60 GLY HA3 H 3.968 0.007 . 507 60 60 GLY CA C 42.979 0.166 . 508 60 60 GLY N N 107.308 0.121 . 509 61 61 ASN H H 8.108 0.007 . 510 61 61 ASN HA H 4.534 0.007 . 511 61 61 ASN HB2 H 2.502 0.007 . 512 61 61 ASN HB3 H 2.740 0.007 . 513 61 61 ASN HD21 H 6.817 0.007 . 514 61 61 ASN HD22 H 7.617 0.007 . 515 61 61 ASN CA C 51.235 0.166 . 516 61 61 ASN CB C 36.424 0.166 . 517 61 61 ASN N N 117.747 0.121 . 518 61 61 ASN ND2 N 113.275 0.121 . 519 64 64 PHE H H 8.300 0.007 . 520 64 64 PHE HA H 4.379 0.007 . 521 64 64 PHE HB2 H 2.614 0.007 . 522 64 64 PHE HB3 H 2.674 0.007 . 523 64 64 PHE HD1 H 7.100 0.007 . 524 64 64 PHE HD2 H 7.100 0.007 . 525 64 64 PHE HE1 H 6.943 0.007 . 526 64 64 PHE HE2 H 6.943 0.007 . 527 64 64 PHE CA C 51.748 0.166 . 528 64 64 PHE CB C 35.275 0.166 . 529 64 64 PHE CD1 C 126.696 0.166 . 530 64 64 PHE CE1 C 126.690 0.166 . 531 64 64 PHE N N 120.102 0.121 . 532 65 65 PRO HA H 4.335 0.007 . 533 65 65 PRO HB2 H 1.918 0.007 . 534 65 65 PRO HB3 H 1.695 0.007 . 535 65 65 PRO HG2 H 1.712 0.007 . 536 65 65 PRO HG3 H 1.652 0.007 . 537 65 65 PRO HD2 H 3.375 0.007 . 538 65 65 PRO HD3 H 3.556 0.007 . 539 65 65 PRO C C 173.870 0.166 . 540 65 65 PRO CA C 60.017 0.166 . 541 65 65 PRO CB C 29.635 0.166 . 542 65 65 PRO CG C 25.204 0.166 . 543 65 65 PRO CD C 47.132 0.166 . 544 66 66 GLU H H 8.316 0.007 . 545 66 66 GLU HA H 4.234 0.007 . 546 66 66 GLU HB2 H 1.929 0.007 . 547 66 66 GLU HB3 H 1.798 0.007 . 548 66 66 GLU HG2 H 2.167 0.007 . 549 66 66 GLU HG3 H 2.309 0.007 . 550 66 66 GLU C C 173.981 0.166 . 551 66 66 GLU CA C 53.787 0.166 . 552 66 66 GLU CB C 27.775 0.166 . 553 66 66 GLU CG C 34.020 0.166 . 554 66 66 GLU N N 121.258 0.121 . 555 67 67 ILE H H 8.366 0.007 . 556 67 67 ILE HA H 5.129 0.007 . 557 67 67 ILE HB H 1.729 0.007 . 558 67 67 ILE HG12 H 1.205 0.007 . 559 67 67 ILE HG13 H 0.971 0.007 . 560 67 67 ILE HG2 H 0.660 0.007 . 561 67 67 ILE HD1 H 0.582 0.007 . 562 67 67 ILE C C 172.700 0.166 . 563 67 67 ILE CA C 56.439 0.166 . 564 67 67 ILE CB C 39.159 0.166 . 565 67 67 ILE CG1 C 21.664 0.166 . 566 67 67 ILE CG2 C 14.725 0.166 . 567 67 67 ILE CD1 C 11.265 0.166 . 568 67 67 ILE N N 114.290 0.121 . 569 68 68 GLN H H 8.737 0.007 . 570 68 68 GLN HA H 4.501 0.007 . 571 68 68 GLN HB2 H 1.711 0.007 . 572 68 68 GLN HB3 H 1.836 0.007 . 573 68 68 GLN HG2 H 2.109 0.007 . 574 68 68 GLN HG3 H 2.109 0.007 . 575 68 68 GLN HE21 H 7.268 0.007 . 576 68 68 GLN HE22 H 6.662 0.007 . 577 68 68 GLN C C 171.675 0.166 . 578 68 68 GLN CA C 52.273 0.166 . 579 68 68 GLN CB C 27.143 0.166 . 580 68 68 GLN CG C 30.948 0.166 . 581 68 68 GLN N N 121.422 0.121 . 582 68 68 GLN NE2 N 110.896 0.121 . 583 69 69 LEU H H 8.051 0.007 . 584 69 69 LEU HA H 4.506 0.007 . 585 69 69 LEU HB2 H 1.416 0.007 . 586 69 69 LEU HB3 H 1.653 0.007 . 587 69 69 LEU HG H 1.732 0.007 . 588 69 69 LEU HD1 H 0.789 0.007 . 589 69 69 LEU HD2 H 0.792 0.007 . 590 69 69 LEU C C 172.634 0.166 . 591 69 69 LEU CA C 51.759 0.166 . 592 69 69 LEU CB C 42.404 0.166 . 593 69 69 LEU CG C 24.187 0.166 . 594 69 69 LEU CD1 C 24.019 0.166 . 595 69 69 LEU CD2 C 23.151 0.166 . 596 69 69 LEU N N 125.311 0.121 . 597 70 70 ASP H H 8.313 0.007 . 598 70 70 ASP HA H 4.423 0.007 . 599 70 70 ASP HB2 H 2.311 0.007 . 600 70 70 ASP HB3 H 2.599 0.007 . 601 70 70 ASP CA C 51.610 0.166 . 602 70 70 ASP CB C 38.717 0.166 . 603 70 70 ASP N N 122.763 0.121 . 604 71 71 ASN H H 8.407 0.007 . 605 71 71 ASN HA H 4.337 0.007 . 606 71 71 ASN HB2 H 2.624 0.007 . 607 71 71 ASN HB3 H 2.690 0.007 . 608 71 71 ASN HD21 H 7.518 0.007 . 609 71 71 ASN HD22 H 6.793 0.007 . 610 71 71 ASN C C 171.770 0.166 . 611 71 71 ASN CA C 51.491 0.166 . 612 71 71 ASN CB C 35.326 0.166 . 613 71 71 ASN N N 117.413 0.121 . 614 71 71 ASN ND2 N 112.791 0.121 . 615 72 72 ILE H H 7.639 0.007 . 616 72 72 ILE HA H 3.940 0.007 . 617 72 72 ILE HB H 1.089 0.007 . 618 72 72 ILE HG12 H 0.722 0.007 . 619 72 72 ILE HG13 H 1.178 0.007 . 620 72 72 ILE HG2 H 0.307 0.007 . 621 72 72 ILE HD1 H 0.641 0.007 . 622 72 72 ILE C C 171.621 0.166 . 623 72 72 ILE CA C 57.332 0.166 . 624 72 72 ILE CB C 38.489 0.166 . 625 72 72 ILE CG1 C 24.540 0.166 . 626 72 72 ILE CG2 C 15.234 0.166 . 627 72 72 ILE CD1 C 11.808 0.166 . 628 72 72 ILE N N 123.752 0.121 . 629 73 73 ASP H H 8.394 0.007 . 630 73 73 ASP HA H 4.625 0.007 . 631 73 73 ASP HB2 H 2.351 0.007 . 632 73 73 ASP HB3 H 2.812 0.007 . 633 73 73 ASP C C 174.034 0.166 . 634 73 73 ASP CA C 49.203 0.166 . 635 73 73 ASP CB C 37.024 0.166 . 636 73 73 ASP N N 125.252 0.121 . 637 74 74 TYR H H 7.392 0.007 . 638 74 74 TYR HA H 3.878 0.007 . 639 74 74 TYR HB2 H 2.836 0.007 . 640 74 74 TYR HB3 H 2.661 0.007 . 641 74 74 TYR HD1 H 6.843 0.007 . 642 74 74 TYR HD2 H 6.843 0.007 . 643 74 74 TYR HE1 H 6.484 0.007 . 644 74 74 TYR HE2 H 6.484 0.007 . 645 74 74 TYR C C 173.637 0.166 . 646 74 74 TYR CA C 59.474 0.166 . 647 74 74 TYR CB C 34.722 0.166 . 648 74 74 TYR CD2 C 127.135 0.166 . 649 74 74 TYR CE2 C 114.115 0.166 . 650 74 74 TYR N N 123.108 0.121 . 651 75 75 ASN H H 8.058 0.007 . 652 75 75 ASN HA H 4.926 0.007 . 653 75 75 ASN HB2 H 2.864 0.007 . 654 75 75 ASN HB3 H 2.963 0.007 . 655 75 75 ASN HD21 H 8.044 0.007 . 656 75 75 ASN HD22 H 7.181 0.007 . 657 75 75 ASN C C 172.574 0.166 . 658 75 75 ASN CA C 52.761 0.166 . 659 75 75 ASN CB C 35.617 0.166 . 660 75 75 ASN N N 109.422 0.121 . 661 75 75 ASN ND2 N 115.399 0.121 . 662 76 76 ASN H H 7.768 0.007 . 663 76 76 ASN HA H 4.455 0.007 . 664 76 76 ASN HB2 H 2.275 0.007 . 665 76 76 ASN HB3 H 2.398 0.007 . 666 76 76 ASN HD21 H 7.102 0.007 . 667 76 76 ASN HD22 H 6.871 0.007 . 668 76 76 ASN C C 171.132 0.166 . 669 76 76 ASN CA C 51.167 0.166 . 670 76 76 ASN CB C 35.728 0.166 . 671 76 76 ASN N N 117.422 0.121 . 672 76 76 ASN ND2 N 111.727 0.121 . 673 77 77 TYR H H 7.825 0.007 . 674 77 77 TYR HA H 4.363 0.007 . 675 77 77 TYR HB2 H 3.148 0.007 . 676 77 77 TYR HB3 H 2.762 0.007 . 677 77 77 TYR HD1 H 6.889 0.007 . 678 77 77 TYR HD2 H 6.889 0.007 . 679 77 77 TYR HE1 H 6.736 0.007 . 680 77 77 TYR HE2 H 6.736 0.007 . 681 77 77 TYR C C 172.175 0.166 . 682 77 77 TYR CA C 55.364 0.166 . 683 77 77 TYR CB C 37.165 0.166 . 684 77 77 TYR CD2 C 129.408 0.166 . 685 77 77 TYR CE2 C 113.607 0.166 . 686 77 77 TYR N N 116.873 0.121 . 687 78 78 ASP H H 9.058 0.007 . 688 78 78 ASP HA H 4.805 0.007 . 689 78 78 ASP HB2 H 2.873 0.007 . 690 78 78 ASP HB3 H 2.447 0.007 . 691 78 78 ASP C C 172.641 0.166 . 692 78 78 ASP CA C 53.255 0.166 . 693 78 78 ASP CB C 41.075 0.166 . 694 78 78 ASP N N 121.271 0.121 . 695 79 79 LEU H H 7.893 0.007 . 696 79 79 LEU HA H 5.114 0.007 . 697 79 79 LEU HB2 H 1.821 0.007 . 698 79 79 LEU HB3 H 1.203 0.007 . 699 79 79 LEU HG H 1.160 0.007 . 700 79 79 LEU HD1 H 0.649 0.007 . 701 79 79 LEU HD2 H 0.785 0.007 . 702 79 79 LEU C C 170.721 0.166 . 703 79 79 LEU CA C 51.316 0.166 . 704 79 79 LEU CB C 42.342 0.166 . 705 79 79 LEU CG C 25.475 0.166 . 706 79 79 LEU CD1 C 20.612 0.166 . 707 79 79 LEU CD2 C 23.225 0.166 . 708 79 79 LEU N N 122.985 0.121 . 709 80 80 ILE H H 8.717 0.007 . 710 80 80 ILE HA H 5.089 0.007 . 711 80 80 ILE HB H 1.334 0.007 . 712 80 80 ILE HG12 H 1.725 0.007 . 713 80 80 ILE HG13 H 0.770 0.007 . 714 80 80 ILE HG2 H 0.562 0.007 . 715 80 80 ILE HD1 H 0.097 0.007 . 716 80 80 ILE C C 171.580 0.166 . 717 80 80 ILE CA C 57.417 0.166 . 718 80 80 ILE CB C 38.136 0.166 . 719 80 80 ILE CG1 C 25.138 0.166 . 720 80 80 ILE CG2 C 14.300 0.166 . 721 80 80 ILE CD1 C 10.945 0.166 . 722 80 80 ILE N N 126.364 0.121 . 723 81 81 LEU H H 9.230 0.007 . 724 81 81 LEU HA H 5.135 0.007 . 725 81 81 LEU HB2 H 1.884 0.007 . 726 81 81 LEU HB3 H 1.451 0.007 . 727 81 81 LEU HG H 1.595 0.007 . 728 81 81 LEU HD1 H 0.819 0.007 . 729 81 81 LEU HD2 H 0.798 0.007 . 730 81 81 LEU C C 172.979 0.166 . 731 81 81 LEU CA C 49.633 0.166 . 732 81 81 LEU CB C 42.159 0.166 . 733 81 81 LEU CG C 25.832 0.166 . 734 81 81 LEU CD1 C 23.265 0.166 . 735 81 81 LEU CD2 C 24.573 0.166 . 736 81 81 LEU N N 126.199 0.121 . 737 82 82 ILE H H 8.796 0.007 . 738 82 82 ILE HA H 4.916 0.007 . 739 82 82 ILE HB H 1.518 0.007 . 740 82 82 ILE HG12 H 1.556 0.007 . 741 82 82 ILE HG13 H 0.867 0.007 . 742 82 82 ILE HG2 H 0.763 0.007 . 743 82 82 ILE HD1 H 0.765 0.007 . 744 82 82 ILE C C 173.011 0.166 . 745 82 82 ILE CA C 56.828 0.166 . 746 82 82 ILE CB C 38.068 0.166 . 747 82 82 ILE CG1 C 25.441 0.166 . 748 82 82 ILE CG2 C 15.842 0.166 . 749 82 82 ILE CD1 C 12.201 0.166 . 750 82 82 ILE N N 120.505 0.121 . 751 83 83 GLY H H 9.525 0.007 . 752 83 83 GLY HA2 H 1.926 0.007 . 753 83 83 GLY HA3 H 4.027 0.007 . 754 83 83 GLY CA C 40.803 0.166 . 755 83 83 GLY N N 120.857 0.121 . 756 84 84 SER H H 7.617 0.007 . 757 84 84 SER HA H 5.476 0.007 . 758 84 84 SER HB2 H 3.711 0.007 . 759 84 84 SER HB3 H 4.051 0.007 . 760 84 84 SER CA C 51.937 0.166 . 761 84 84 SER CB C 64.533 0.166 . 762 84 84 SER N N 116.007 0.121 . 763 85 85 PRO HA H 5.201 0.007 . 764 85 85 PRO HB2 H 1.969 0.007 . 765 85 85 PRO HB3 H 2.693 0.007 . 766 85 85 PRO HD2 H 3.921 0.007 . 767 85 85 PRO HD3 H 4.170 0.007 . 768 85 85 PRO C C 173.574 0.166 . 769 85 85 PRO CA C 59.488 0.166 . 770 85 85 PRO CB C 31.140 0.166 . 771 85 85 PRO CD C 47.830 0.166 . 772 86 86 VAL H H 8.194 0.007 . 773 86 86 VAL HA H 4.373 0.007 . 774 86 86 VAL HB H 2.032 0.007 . 775 86 86 VAL HG1 H 0.810 0.007 . 776 86 86 VAL HG2 H 0.522 0.007 . 777 86 86 VAL C C 172.777 0.166 . 778 86 86 VAL CA C 59.603 0.166 . 779 86 86 VAL CB C 29.573 0.166 . 780 86 86 VAL CG1 C 19.251 0.166 . 781 86 86 VAL CG2 C 18.520 0.166 . 782 86 86 VAL N N 117.603 0.121 . 783 87 87 TRP H H 9.637 0.007 . 784 87 87 TRP HA H 5.198 0.007 . 785 87 87 TRP HB2 H 3.196 0.007 . 786 87 87 TRP HB3 H 2.911 0.007 . 787 87 87 TRP HD1 H 7.382 0.007 . 788 87 87 TRP HE1 H 9.755 0.007 . 789 87 87 TRP HE3 H 7.581 0.007 . 790 87 87 TRP HZ2 H 7.372 0.007 . 791 87 87 TRP HH2 H 7.155 0.007 . 792 87 87 TRP C C 173.295 0.166 . 793 87 87 TRP CA C 50.784 0.166 . 794 87 87 TRP CB C 27.746 0.166 . 795 87 87 TRP CD1 C 122.374 0.166 . 796 87 87 TRP CE3 C 115.766 0.166 . 797 87 87 TRP CZ2 C 109.952 0.166 . 798 87 87 TRP CH2 C 120.064 0.166 . 799 87 87 TRP N N 131.187 0.121 . 800 87 87 TRP NE1 N 129.071 0.121 . 801 88 88 SER H H 9.272 0.007 . 802 88 88 SER HA H 3.986 0.007 . 803 88 88 SER HB2 H 3.911 0.007 . 804 88 88 SER HB3 H 4.100 0.007 . 805 88 88 SER C C 172.375 0.166 . 806 88 88 SER CA C 55.932 0.166 . 807 88 88 SER CB C 59.178 0.166 . 808 88 88 SER N N 119.829 0.121 . 809 89 89 GLY H H 7.463 0.007 . 810 89 89 GLY HA2 H 4.141 0.007 . 811 89 89 GLY HA3 H 3.415 0.007 . 812 89 89 GLY CA C 42.671 0.166 . 813 89 89 GLY N N 101.498 0.121 . 814 90 90 TYR H H 8.064 0.007 . 815 90 90 TYR HA H 4.216 0.007 . 816 90 90 TYR HB2 H 2.803 0.007 . 817 90 90 TYR HB3 H 2.803 0.007 . 818 90 90 TYR HD1 H 6.513 0.007 . 819 90 90 TYR HD2 H 6.513 0.007 . 820 90 90 TYR HE1 H 6.315 0.007 . 821 90 90 TYR HE2 H 6.315 0.007 . 822 90 90 TYR CA C 54.090 0.166 . 823 90 90 TYR CB C 37.195 0.166 . 824 90 90 TYR CD2 C 127.946 0.166 . 825 90 90 TYR CE2 C 112.495 0.166 . 826 90 90 TYR N N 121.064 0.121 . 827 91 91 PRO HA H 4.932 0.007 . 828 91 91 PRO HB2 H 1.900 0.007 . 829 91 91 PRO HB3 H 1.900 0.007 . 830 91 91 PRO HG2 H 1.240 0.007 . 831 91 91 PRO HG3 H 1.240 0.007 . 832 91 91 PRO HD2 H 2.550 0.007 . 833 91 91 PRO HD3 H 2.034 0.007 . 834 91 91 PRO C C 171.019 0.166 . 835 91 91 PRO CA C 58.994 0.166 . 836 91 91 PRO CB C 26.493 0.166 . 837 91 91 PRO CG C 25.246 0.166 . 838 91 91 PRO CD C 46.073 0.166 . 839 92 92 ALA H H 7.278 0.007 . 840 92 92 ALA HA H 3.451 0.007 . 841 92 92 ALA HB H 0.062 0.007 . 842 92 92 ALA C C 176.477 0.166 . 843 92 92 ALA CA C 49.567 0.166 . 844 92 92 ALA CB C 15.801 0.166 . 845 92 92 ALA N N 119.893 0.121 . 846 93 93 THR H H 6.861 0.007 . 847 93 93 THR HA H 4.462 0.007 . 848 93 93 THR HB H 4.181 0.007 . 849 93 93 THR HG2 H 1.681 0.007 . 850 93 93 THR CA C 66.871 0.166 . 851 93 93 THR CB C 64.362 0.166 . 852 93 93 THR CG2 C 22.240 0.166 . 853 93 93 THR N N 112.992 0.121 . 854 94 94 PRO HA H 3.866 0.007 . 855 94 94 PRO HB2 H 0.775 0.007 . 856 94 94 PRO HB3 H 0.775 0.007 . 857 94 94 PRO HG2 H 0.626 0.007 . 858 94 94 PRO HG3 H 1.159 0.007 . 859 94 94 PRO HD2 H 3.983 0.007 . 860 94 94 PRO HD3 H 2.486 0.007 . 861 94 94 PRO CA C 63.021 0.166 . 862 94 94 PRO CB C 29.279 0.166 . 863 94 94 PRO CG C 26.020 0.166 . 864 94 94 PRO CD C 47.553 0.166 . 865 95 95 ILE H H 7.974 0.007 . 866 95 95 ILE HA H 3.623 0.007 . 867 95 95 ILE HB H 2.707 0.007 . 868 95 95 ILE HG12 H 1.699 0.007 . 869 95 95 ILE HG13 H 1.445 0.007 . 870 95 95 ILE HG2 H 1.037 0.007 . 871 95 95 ILE HD1 H 0.656 0.007 . 872 95 95 ILE C C 174.264 0.166 . 873 95 95 ILE CA C 57.448 0.166 . 874 95 95 ILE CB C 31.929 0.166 . 875 95 95 ILE CG1 C 25.908 0.166 . 876 95 95 ILE CG2 C 16.225 0.166 . 877 95 95 ILE CD1 C 5.778 0.166 . 878 95 95 ILE N N 111.298 0.121 . 879 96 96 LYS H H 6.958 0.007 . 880 96 96 LYS HA H 3.112 0.007 . 881 96 96 LYS HB2 H 0.778 0.007 . 882 96 96 LYS HB3 H -0.666 0.007 . 883 96 96 LYS HG2 H -0.677 0.007 . 884 96 96 LYS HG3 H -0.452 0.007 . 885 96 96 LYS HD2 H 0.032 0.007 . 886 96 96 LYS HD3 H -0.286 0.007 . 887 96 96 LYS HE2 H 2.029 0.007 . 888 96 96 LYS HE3 H 1.878 0.007 . 889 96 96 LYS C C 174.590 0.166 . 890 96 96 LYS CA C 57.145 0.166 . 891 96 96 LYS CB C 28.845 0.166 . 892 96 96 LYS CG C 20.779 0.166 . 893 96 96 LYS CD C 24.357 0.166 . 894 96 96 LYS CE C 39.451 0.166 . 895 96 96 LYS N N 123.045 0.121 . 896 97 97 THR H H 6.366 0.007 . 897 97 97 THR HA H 3.461 0.007 . 898 97 97 THR HB H 3.983 0.007 . 899 97 97 THR HG2 H 1.203 0.007 . 900 97 97 THR C C 173.247 0.166 . 901 97 97 THR CA C 62.809 0.166 . 902 97 97 THR CB C 65.654 0.166 . 903 97 97 THR CG2 C 20.735 0.166 . 904 97 97 THR N N 113.412 0.121 . 905 98 98 LEU H H 7.554 0.007 . 906 98 98 LEU HA H 3.634 0.007 . 907 98 98 LEU HB2 H 1.100 0.007 . 908 98 98 LEU HB3 H 1.919 0.007 . 909 98 98 LEU HG H 1.311 0.007 . 910 98 98 LEU HD1 H 0.717 0.007 . 911 98 98 LEU HD2 H 0.731 0.007 . 912 98 98 LEU C C 174.590 0.166 . 913 98 98 LEU CA C 55.621 0.166 . 914 98 98 LEU CB C 39.895 0.166 . 915 98 98 LEU CG C 24.400 0.166 . 916 98 98 LEU CD1 C 20.836 0.166 . 917 98 98 LEU CD2 C 24.697 0.166 . 918 98 98 LEU N N 121.201 0.121 . 919 99 99 LEU H H 8.160 0.007 . 920 99 99 LEU HA H 3.702 0.007 . 921 99 99 LEU HB2 H 0.962 0.007 . 922 99 99 LEU HB3 H 1.657 0.007 . 923 99 99 LEU HG H 1.619 0.007 . 924 99 99 LEU HD1 H 0.355 0.007 . 925 99 99 LEU HD2 H 0.560 0.007 . 926 99 99 LEU C C 177.457 0.166 . 927 99 99 LEU CA C 55.179 0.166 . 928 99 99 LEU CB C 38.988 0.166 . 929 99 99 LEU CG C 24.802 0.166 . 930 99 99 LEU CD1 C 24.762 0.166 . 931 99 99 LEU CD2 C 20.340 0.166 . 932 99 99 LEU N N 118.677 0.121 . 933 100 100 ASP H H 7.872 0.007 . 934 100 100 ASP HA H 4.229 0.007 . 935 100 100 ASP HB2 H 2.701 0.007 . 936 100 100 ASP HB3 H 2.484 0.007 . 937 100 100 ASP C C 176.585 0.166 . 938 100 100 ASP CA C 54.516 0.166 . 939 100 100 ASP CB C 37.579 0.166 . 940 100 100 ASP N N 118.914 0.121 . 941 101 101 GLN H H 7.673 0.007 . 942 101 101 GLN HA H 4.160 0.007 . 943 101 101 GLN HB2 H 2.311 0.007 . 944 101 101 GLN HB3 H 2.211 0.007 . 945 101 101 GLN HG2 H 2.469 0.007 . 946 101 101 GLN HG3 H 2.625 0.007 . 947 101 101 GLN HE21 H 6.725 0.007 . 948 101 101 GLN HE22 H 7.335 0.007 . 949 101 101 GLN C C 174.601 0.166 . 950 101 101 GLN CA C 54.960 0.166 . 951 101 101 GLN CB C 25.550 0.166 . 952 101 101 GLN CG C 31.727 0.166 . 953 101 101 GLN N N 118.135 0.121 . 954 101 101 GLN NE2 N 110.229 0.121 . 955 102 102 MET H H 7.462 0.007 . 956 102 102 MET HA H 3.826 0.007 . 957 102 102 MET HB2 H 1.620 0.007 . 958 102 102 MET HB3 H 1.989 0.007 . 959 102 102 MET HG2 H 1.875 0.007 . 960 102 102 MET HG3 H 1.062 0.007 . 961 102 102 MET HE H 1.352 0.007 . 962 102 102 MET C C 172.780 0.166 . 963 102 102 MET CA C 53.428 0.166 . 964 102 102 MET CB C 31.221 0.166 . 965 102 102 MET CG C 28.251 0.166 . 966 102 102 MET CE C 13.755 0.166 . 967 102 102 MET N N 118.420 0.121 . 968 103 103 LYS H H 6.875 0.007 . 969 103 103 LYS HA H 3.920 0.007 . 970 103 103 LYS HB2 H 1.850 0.007 . 971 103 103 LYS HB3 H 1.793 0.007 . 972 103 103 LYS HG2 H 1.495 0.007 . 973 103 103 LYS HG3 H 1.495 0.007 . 974 103 103 LYS HD2 H 1.599 0.007 . 975 103 103 LYS HD3 H 1.599 0.007 . 976 103 103 LYS HE2 H 2.941 0.007 . 977 103 103 LYS HE3 H 2.895 0.007 . 978 103 103 LYS C C 173.922 0.166 . 979 103 103 LYS CA C 56.282 0.166 . 980 103 103 LYS CB C 29.491 0.166 . 981 103 103 LYS CG C 21.458 0.166 . 982 103 103 LYS CD C 25.888 0.166 . 983 103 103 LYS CE C 39.669 0.166 . 984 103 103 LYS N N 116.066 0.121 . 985 104 104 ASN H H 8.517 0.007 . 986 104 104 ASN HA H 4.741 0.007 . 987 104 104 ASN HB2 H 2.890 0.007 . 988 104 104 ASN HB3 H 2.749 0.007 . 989 104 104 ASN HD21 H 6.905 0.007 . 990 104 104 ASN HD22 H 7.549 0.007 . 991 104 104 ASN C C 172.587 0.166 . 992 104 104 ASN CA C 50.469 0.166 . 993 104 104 ASN CB C 35.822 0.166 . 994 104 104 ASN N N 114.987 0.121 . 995 104 104 ASN ND2 N 113.202 0.121 . 996 105 105 TYR H H 8.287 0.007 . 997 105 105 TYR HA H 4.575 0.007 . 998 105 105 TYR HB2 H 3.028 0.007 . 999 105 105 TYR HB3 H 2.736 0.007 . 1000 105 105 TYR HD1 H 6.449 0.007 . 1001 105 105 TYR HD2 H 6.449 0.007 . 1002 105 105 TYR HE1 H 6.427 0.007 . 1003 105 105 TYR HE2 H 6.427 0.007 . 1004 105 105 TYR C C 174.260 0.166 . 1005 105 105 TYR CA C 55.493 0.166 . 1006 105 105 TYR CB C 36.064 0.166 . 1007 105 105 TYR CD1 C 128.011 0.166 . 1008 105 105 TYR CE1 C 112.692 0.166 . 1009 105 105 TYR N N 122.755 0.121 . 1010 106 106 ARG H H 8.841 0.007 . 1011 106 106 ARG HA H 4.273 0.007 . 1012 106 106 ARG HB2 H 1.532 0.007 . 1013 106 106 ARG HB3 H 1.919 0.007 . 1014 106 106 ARG HG2 H 1.497 0.007 . 1015 106 106 ARG HG3 H 1.612 0.007 . 1016 106 106 ARG HD2 H 3.132 0.007 . 1017 106 106 ARG HD3 H 3.063 0.007 . 1018 106 106 ARG CA C 53.021 0.166 . 1019 106 106 ARG CB C 28.130 0.166 . 1020 106 106 ARG CG C 24.349 0.166 . 1021 106 106 ARG CD C 40.494 0.166 . 1022 106 106 ARG N N 128.905 0.121 . 1023 107 107 GLY HA2 H 4.264 0.007 . 1024 107 107 GLY HA3 H 3.448 0.007 . 1025 107 107 GLY CA C 42.497 0.166 . 1026 108 108 GLU H H 7.536 0.007 . 1027 108 108 GLU HA H 4.631 0.007 . 1028 108 108 GLU HB2 H 2.340 0.007 . 1029 108 108 GLU HB3 H 1.691 0.007 . 1030 108 108 GLU HG2 H 2.463 0.007 . 1031 108 108 GLU HG3 H 2.078 0.007 . 1032 108 108 GLU CA C 53.676 0.166 . 1033 108 108 GLU CB C 30.402 0.166 . 1034 108 108 GLU CG C 34.366 0.166 . 1035 108 108 GLU N N 116.989 0.121 . 1036 109 109 VAL H H 8.955 0.007 . 1037 109 109 VAL HA H 5.321 0.007 . 1038 109 109 VAL HB H 1.724 0.007 . 1039 109 109 VAL HG1 H 0.857 0.007 . 1040 109 109 VAL HG2 H 1.029 0.007 . 1041 109 109 VAL CA C 57.443 0.166 . 1042 109 109 VAL CB C 32.661 0.166 . 1043 109 109 VAL CG1 C 19.263 0.166 . 1044 109 109 VAL CG2 C 21.090 0.166 . 1045 109 109 VAL N N 123.416 0.121 . 1046 110 110 ALA H H 8.860 0.007 . 1047 110 110 ALA HA H 4.677 0.007 . 1048 110 110 ALA HB H -0.406 0.007 . 1049 110 110 ALA CA C 47.441 0.166 . 1050 110 110 ALA CB C 18.416 0.166 . 1051 110 110 ALA N N 127.975 0.121 . 1052 111 111 SER H H 7.484 0.007 . 1053 111 111 SER HA H 5.502 0.007 . 1054 111 111 SER HB2 H 2.564 0.007 . 1055 111 111 SER HB3 H 2.445 0.007 . 1056 111 111 SER CA C 51.630 0.166 . 1057 111 111 SER CB C 62.267 0.166 . 1058 111 111 SER N N 110.482 0.121 . 1059 112 112 PHE H H 8.025 0.007 . 1060 112 112 PHE HA H 6.448 0.007 . 1061 112 112 PHE HB2 H 3.492 0.007 . 1062 112 112 PHE HB3 H 2.728 0.007 . 1063 112 112 PHE HD1 H 6.757 0.007 . 1064 112 112 PHE HD2 H 6.757 0.007 . 1065 112 112 PHE HE1 H 6.876 0.007 . 1066 112 112 PHE HE2 H 6.876 0.007 . 1067 112 112 PHE CA C 50.434 0.166 . 1068 112 112 PHE CB C 40.500 0.166 . 1069 112 112 PHE CD1 C 127.609 0.166 . 1070 112 112 PHE CE1 C 125.271 0.166 . 1071 112 112 PHE N N 125.082 0.121 . 1072 113 113 PHE H H 7.391 0.007 . 1073 113 113 PHE HA H 5.924 0.007 . 1074 113 113 PHE HB2 H 2.215 0.007 . 1075 113 113 PHE HB3 H 1.683 0.007 . 1076 113 113 PHE HD1 H 6.308 0.007 . 1077 113 113 PHE HD2 H 6.308 0.007 . 1078 113 113 PHE HE1 H 6.516 0.007 . 1079 113 113 PHE HE2 H 6.516 0.007 . 1080 113 113 PHE C C 173.293 0.166 . 1081 113 113 PHE CA C 50.468 0.166 . 1082 113 113 PHE CB C 38.393 0.166 . 1083 113 113 PHE CD1 C 127.972 0.166 . 1084 113 113 PHE CE1 C 124.243 0.166 . 1085 113 113 PHE N N 115.872 0.121 . 1086 114 114 THR H H 7.951 0.007 . 1087 114 114 THR HA H 4.933 0.007 . 1088 114 114 THR HB H 4.322 0.007 . 1089 114 114 THR HG2 H 1.188 0.007 . 1090 114 114 THR C C 171.891 0.166 . 1091 114 114 THR CA C 56.815 0.166 . 1092 114 114 THR CB C 67.899 0.166 . 1093 114 114 THR CG2 C 19.334 0.166 . 1094 114 114 THR N N 108.721 0.121 . 1095 115 115 SER H H 8.229 0.007 . 1096 115 115 SER HA H 4.608 0.007 . 1097 115 115 SER HB2 H 3.787 0.007 . 1098 115 115 SER HB3 H 3.978 0.007 . 1099 115 115 SER C C 171.403 0.166 . 1100 115 115 SER CA C 55.570 0.166 . 1101 115 115 SER CB C 61.418 0.166 . 1102 115 115 SER N N 115.159 0.121 . 1103 116 116 ALA H H 8.813 0.007 . 1104 116 116 ALA HA H 4.456 0.007 . 1105 116 116 ALA HB H 1.432 0.007 . 1106 116 116 ALA C C 175.758 0.166 . 1107 116 116 ALA CA C 49.816 0.166 . 1108 116 116 ALA CB C 16.831 0.166 . 1109 116 116 ALA N N 127.211 0.121 . 1110 117 117 GLY H H 8.685 0.007 . 1111 117 117 GLY HA2 H 4.050 0.007 . 1112 117 117 GLY HA3 H 4.050 0.007 . 1113 117 117 GLY C C 171.805 0.166 . 1114 117 117 GLY CA C 42.869 0.166 . 1115 117 117 GLY N N 108.099 0.121 . 1116 118 118 THR H H 7.998 0.007 . 1117 118 118 THR HA H 4.343 0.007 . 1118 118 118 THR HB H 4.208 0.007 . 1119 118 118 THR HG2 H 1.047 0.007 . 1120 118 118 THR C C 171.769 0.166 . 1121 118 118 THR CA C 58.933 0.166 . 1122 118 118 THR CB C 67.304 0.166 . 1123 118 118 THR CG2 C 19.106 0.166 . 1124 118 118 THR N N 111.284 0.121 . 1125 119 119 ASN H H 8.381 0.007 . 1126 119 119 ASN HA H 4.703 0.007 . 1127 119 119 ASN HB2 H 2.861 0.007 . 1128 119 119 ASN HB3 H 2.671 0.007 . 1129 119 119 ASN HD21 H 7.564 0.007 . 1130 119 119 ASN HD22 H 6.876 0.007 . 1131 119 119 ASN C C 172.353 0.166 . 1132 119 119 ASN CA C 50.228 0.166 . 1133 119 119 ASN CB C 35.376 0.166 . 1134 119 119 ASN N N 120.253 0.121 . 1135 119 119 ASN ND2 N 112.352 0.121 . 1136 120 120 HIS HA H 4.086 0.007 . 1137 120 120 HIS HB2 H 2.903 0.007 . 1138 120 120 HIS HB3 H 2.903 0.007 . 1139 120 120 HIS HD2 H 6.780 0.007 . 1140 120 120 HIS C C 173.395 0.166 . 1141 120 120 HIS CA C 55.139 0.166 . 1142 120 120 HIS CB C 28.422 0.166 . 1143 120 120 HIS CD2 C 114.744 0.166 . 1144 121 121 LYS H H 8.106 0.007 . 1145 121 121 LYS HA H 3.780 0.007 . 1146 121 121 LYS HB2 H 1.732 0.007 . 1147 121 121 LYS HB3 H 1.662 0.007 . 1148 121 121 LYS HG2 H 1.267 0.007 . 1149 121 121 LYS HG3 H 1.332 0.007 . 1150 121 121 LYS HD2 H 1.597 0.007 . 1151 121 121 LYS HD3 H 1.597 0.007 . 1152 121 121 LYS HE2 H 2.937 0.007 . 1153 121 121 LYS HE3 H 2.937 0.007 . 1154 121 121 LYS C C 176.053 0.166 . 1155 121 121 LYS CA C 56.963 0.166 . 1156 121 121 LYS CB C 29.660 0.166 . 1157 121 121 LYS CG C 22.701 0.166 . 1158 121 121 LYS CD C 26.369 0.166 . 1159 121 121 LYS CE C 39.558 0.166 . 1160 121 121 LYS N N 119.527 0.121 . 1161 122 122 ALA H H 7.702 0.007 . 1162 122 122 ALA HA H 3.721 0.007 . 1163 122 122 ALA HB H 1.163 0.007 . 1164 122 122 ALA C C 175.128 0.166 . 1165 122 122 ALA CA C 51.591 0.166 . 1166 122 122 ALA CB C 15.704 0.166 . 1167 122 122 ALA N N 121.585 0.121 . 1168 123 123 TYR H H 7.366 0.007 . 1169 123 123 TYR HA H 3.366 0.007 . 1170 123 123 TYR HB2 H 2.159 0.007 . 1171 123 123 TYR HB3 H 2.339 0.007 . 1172 123 123 TYR HD1 H 6.156 0.007 . 1173 123 123 TYR HD2 H 6.156 0.007 . 1174 123 123 TYR HE1 H 6.171 0.007 . 1175 123 123 TYR HE2 H 6.171 0.007 . 1176 123 123 TYR CA C 60.091 0.166 . 1177 123 123 TYR CB C 35.102 0.166 . 1178 123 123 TYR CD1 C 128.565 0.166 . 1179 123 123 TYR CE1 C 111.844 0.166 . 1180 123 123 TYR N N 118.803 0.121 . 1181 124 124 VAL H H 7.757 0.007 . 1182 124 124 VAL HA H 3.199 0.007 . 1183 124 124 VAL HB H 2.051 0.007 . 1184 124 124 VAL HG1 H 0.878 0.007 . 1185 124 124 VAL HG2 H 1.017 0.007 . 1186 124 124 VAL C C 175.375 0.166 . 1187 124 124 VAL CA C 64.583 0.166 . 1188 124 124 VAL CB C 29.203 0.166 . 1189 124 124 VAL CG1 C 18.663 0.166 . 1190 124 124 VAL CG2 C 19.276 0.166 . 1191 124 124 VAL N N 117.530 0.121 . 1192 125 125 SER H H 7.622 0.007 . 1193 125 125 SER HA H 4.035 0.007 . 1194 125 125 SER HB2 H 3.485 0.007 . 1195 125 125 SER HB3 H 3.522 0.007 . 1196 125 125 SER C C 174.636 0.166 . 1197 125 125 SER CA C 58.885 0.166 . 1198 125 125 SER CB C 59.666 0.166 . 1199 125 125 SER N N 114.023 0.121 . 1200 126 126 HIS H H 8.067 0.007 . 1201 126 126 HIS HA H 4.196 0.007 . 1202 126 126 HIS HB2 H 2.366 0.007 . 1203 126 126 HIS HB3 H 1.942 0.007 . 1204 126 126 HIS HD2 H 6.961 0.007 . 1205 126 126 HIS C C 172.942 0.166 . 1206 126 126 HIS CA C 54.918 0.166 . 1207 126 126 HIS CB C 26.079 0.166 . 1208 126 126 HIS CD2 C 114.637 0.166 . 1209 126 126 HIS N N 119.457 0.121 . 1210 127 127 PHE H H 9.083 0.007 . 1211 127 127 PHE HA H 3.199 0.007 . 1212 127 127 PHE HB2 H 2.241 0.007 . 1213 127 127 PHE HB3 H 2.662 0.007 . 1214 127 127 PHE HD1 H 6.765 0.007 . 1215 127 127 PHE HD2 H 6.765 0.007 . 1216 127 127 PHE HE1 H 6.767 0.007 . 1217 127 127 PHE HE2 H 6.767 0.007 . 1218 127 127 PHE C C 173.515 0.166 . 1219 127 127 PHE CA C 60.681 0.166 . 1220 127 127 PHE CB C 36.367 0.166 . 1221 127 127 PHE CD1 C 127.146 0.166 . 1222 127 127 PHE CE1 C 123.907 0.166 . 1223 127 127 PHE N N 120.628 0.121 . 1224 128 128 ASN H H 7.858 0.007 . 1225 128 128 ASN HA H 4.078 0.007 . 1226 128 128 ASN HB2 H 2.830 0.007 . 1227 128 128 ASN HB3 H 2.529 0.007 . 1228 128 128 ASN HD21 H 6.663 0.007 . 1229 128 128 ASN HD22 H 7.213 0.007 . 1230 128 128 ASN C C 175.338 0.166 . 1231 128 128 ASN CA C 54.250 0.166 . 1232 128 128 ASN CB C 36.021 0.166 . 1233 128 128 ASN N N 114.858 0.121 . 1234 128 128 ASN ND2 N 110.122 0.121 . 1235 129 129 GLU H H 7.569 0.007 . 1236 129 129 GLU HA H 4.041 0.007 . 1237 129 129 GLU HB2 H 2.240 0.007 . 1238 129 129 GLU HB3 H 2.100 0.007 . 1239 129 129 GLU HG2 H 2.464 0.007 . 1240 129 129 GLU HG3 H 2.213 0.007 . 1241 129 129 GLU C C 176.941 0.166 . 1242 129 129 GLU CA C 56.632 0.166 . 1243 129 129 GLU CB C 26.938 0.166 . 1244 129 129 GLU CG C 33.521 0.166 . 1245 129 129 GLU N N 119.811 0.121 . 1246 130 130 TRP H H 7.964 0.007 . 1247 130 130 TRP HA H 4.472 0.007 . 1248 130 130 TRP HB2 H 2.773 0.007 . 1249 130 130 TRP HB3 H 2.770 0.007 . 1250 130 130 TRP HD1 H 6.906 0.007 . 1251 130 130 TRP HE1 H 10.352 0.007 . 1252 130 130 TRP HE3 H 7.425 0.007 . 1253 130 130 TRP HZ2 H 7.303 0.007 . 1254 130 130 TRP HH2 H 6.989 0.007 . 1255 130 130 TRP C C 174.262 0.166 . 1256 130 130 TRP CA C 54.673 0.166 . 1257 130 130 TRP CB C 26.956 0.166 . 1258 130 130 TRP CD1 C 119.111 0.166 . 1259 130 130 TRP CE3 C 116.204 0.166 . 1260 130 130 TRP CZ2 C 110.058 0.166 . 1261 130 130 TRP CH2 C 119.437 0.166 . 1262 130 130 TRP N N 120.585 0.121 . 1263 130 130 TRP NE1 N 127.573 0.121 . 1264 131 131 ALA H H 8.114 0.007 . 1265 131 131 ALA HA H 3.947 0.007 . 1266 131 131 ALA HB H 0.833 0.007 . 1267 131 131 ALA C C 172.489 0.166 . 1268 131 131 ALA CA C 48.580 0.166 . 1269 131 131 ALA CB C 16.539 0.166 . 1270 131 131 ALA N N 120.522 0.121 . 1271 132 132 ASP H H 6.768 0.007 . 1272 132 132 ASP HA H 4.206 0.007 . 1273 132 132 ASP HB2 H 2.807 0.007 . 1274 132 132 ASP HB3 H 2.522 0.007 . 1275 132 132 ASP C C 173.779 0.166 . 1276 132 132 ASP CA C 54.313 0.166 . 1277 132 132 ASP CB C 39.456 0.166 . 1278 132 132 ASP N N 117.666 0.121 . 1279 133 133 GLY H H 8.645 0.007 . 1280 133 133 GLY HA2 H 4.355 0.007 . 1281 133 133 GLY HA3 H 3.568 0.007 . 1282 133 133 GLY C C 172.101 0.166 . 1283 133 133 GLY CA C 42.509 0.166 . 1284 133 133 GLY N N 114.922 0.121 . 1285 134 134 LEU H H 8.049 0.007 . 1286 134 134 LEU HA H 4.462 0.007 . 1287 134 134 LEU HB2 H 1.826 0.007 . 1288 134 134 LEU HB3 H 1.197 0.007 . 1289 134 134 LEU HG H 1.523 0.007 . 1290 134 134 LEU HD1 H 0.725 0.007 . 1291 134 134 LEU HD2 H 1.004 0.007 . 1292 134 134 LEU C C 174.098 0.166 . 1293 134 134 LEU CA C 51.084 0.166 . 1294 134 134 LEU CB C 40.509 0.166 . 1295 134 134 LEU CG C 24.424 0.166 . 1296 134 134 LEU CD1 C 24.046 0.166 . 1297 134 134 LEU CD2 C 21.024 0.166 . 1298 134 134 LEU N N 120.101 0.121 . 1299 135 135 ASN H H 8.567 0.007 . 1300 135 135 ASN HA H 4.639 0.007 . 1301 135 135 ASN HB2 H 3.177 0.007 . 1302 135 135 ASN HB3 H 2.553 0.007 . 1303 135 135 ASN HD21 H 6.844 0.007 . 1304 135 135 ASN HD22 H 7.365 0.007 . 1305 135 135 ASN C C 170.564 0.166 . 1306 135 135 ASN CA C 49.253 0.166 . 1307 135 135 ASN CB C 33.618 0.166 . 1308 135 135 ASN N N 119.258 0.121 . 1309 135 135 ASN ND2 N 110.339 0.121 . 1310 136 136 VAL H H 7.660 0.007 . 1311 136 136 VAL HA H 4.596 0.007 . 1312 136 136 VAL HB H 2.069 0.007 . 1313 136 136 VAL HG1 H 0.855 0.007 . 1314 136 136 VAL HG2 H 0.799 0.007 . 1315 136 136 VAL C C 175.318 0.166 . 1316 136 136 VAL CA C 58.722 0.166 . 1317 136 136 VAL CB C 29.299 0.166 . 1318 136 136 VAL CG1 C 19.141 0.166 . 1319 136 136 VAL CG2 C 19.547 0.166 . 1320 136 136 VAL N N 125.460 0.121 . 1321 137 137 ILE H H 9.151 0.007 . 1322 137 137 ILE HA H 4.428 0.007 . 1323 137 137 ILE HB H 1.989 0.007 . 1324 137 137 ILE HG12 H 0.668 0.007 . 1325 137 137 ILE HG13 H 0.668 0.007 . 1326 137 137 ILE HG2 H 0.815 0.007 . 1327 137 137 ILE HD1 H 0.661 0.007 . 1328 137 137 ILE C C 173.943 0.166 . 1329 137 137 ILE CA C 58.958 0.166 . 1330 137 137 ILE CB C 36.169 0.166 . 1331 137 137 ILE CG1 C 23.893 0.166 . 1332 137 137 ILE CG2 C 15.604 0.166 . 1333 137 137 ILE CD1 C 12.122 0.166 . 1334 137 137 ILE N N 122.021 0.121 . 1335 138 138 GLY H H 6.675 0.007 . 1336 138 138 GLY HA2 H 4.292 0.007 . 1337 138 138 GLY HA3 H 4.089 0.007 . 1338 138 138 GLY CA C 43.494 0.166 . 1339 138 138 GLY N N 108.192 0.121 . 1340 139 139 VAL H H 8.158 0.007 . 1341 139 139 VAL HA H 5.320 0.007 . 1342 139 139 VAL HB H 2.102 0.007 . 1343 139 139 VAL HG1 H 1.043 0.007 . 1344 139 139 VAL HG2 H 0.812 0.007 . 1345 139 139 VAL C C 172.291 0.166 . 1346 139 139 VAL CA C 58.209 0.166 . 1347 139 139 VAL CB C 32.639 0.166 . 1348 139 139 VAL CG1 C 21.097 0.166 . 1349 139 139 VAL CG2 C 19.911 0.166 . 1350 139 139 VAL N N 119.673 0.121 . 1351 140 140 ALA H H 9.145 0.007 . 1352 140 140 ALA HA H 4.596 0.007 . 1353 140 140 ALA HB H 1.258 0.007 . 1354 140 140 ALA C C 171.057 0.166 . 1355 140 140 ALA CA C 48.883 0.166 . 1356 140 140 ALA CB C 21.428 0.166 . 1357 140 140 ALA N N 127.104 0.121 . 1358 141 141 ARG H H 7.759 0.007 . 1359 141 141 ARG HA H 2.740 0.007 . 1360 141 141 ARG HB2 H 1.093 0.007 . 1361 141 141 ARG HB3 H 1.289 0.007 . 1362 141 141 ARG HG2 H 1.090 0.007 . 1363 141 141 ARG HG3 H 1.282 0.007 . 1364 141 141 ARG HD2 H 2.979 0.007 . 1365 141 141 ARG HD3 H 2.979 0.007 . 1366 141 141 ARG C C 173.524 0.166 . 1367 141 141 ARG CA C 51.886 0.166 . 1368 141 141 ARG CB C 28.454 0.166 . 1369 141 141 ARG CG C 23.955 0.166 . 1370 141 141 ARG CD C 41.088 0.166 . 1371 141 141 ARG N N 118.828 0.121 . 1372 142 142 ASP H H 9.087 0.007 . 1373 142 142 ASP HA H 3.779 0.007 . 1374 142 142 ASP HB2 H 2.666 0.007 . 1375 142 142 ASP HB3 H 2.666 0.007 . 1376 142 142 ASP C C 169.292 0.166 . 1377 142 142 ASP CA C 53.622 0.166 . 1378 142 142 ASP CB C 37.080 0.166 . 1379 142 142 ASP N N 125.557 0.121 . 1380 143 143 ASP H H 8.175 0.007 . 1381 143 143 ASP HA H 4.254 0.007 . 1382 143 143 ASP HB2 H 3.049 0.007 . 1383 143 143 ASP HB3 H 1.969 0.007 . 1384 143 143 ASP C C 175.557 0.166 . 1385 143 143 ASP CA C 49.079 0.166 . 1386 143 143 ASP CB C 36.442 0.166 . 1387 143 143 ASP N N 119.094 0.121 . 1388 144 144 SER H H 7.742 0.007 . 1389 144 144 SER HA H 3.745 0.007 . 1390 144 144 SER HB2 H 3.905 0.007 . 1391 144 144 SER HB3 H 3.720 0.007 . 1392 144 144 SER C C 172.820 0.166 . 1393 144 144 SER CA C 59.336 0.166 . 1394 144 144 SER CB C 60.839 0.166 . 1395 144 144 SER N N 115.438 0.121 . 1396 145 145 GLU H H 7.924 0.007 . 1397 145 145 GLU HA H 4.319 0.007 . 1398 145 145 GLU HB2 H 1.368 0.007 . 1399 145 145 GLU HB3 H 0.151 0.007 . 1400 145 145 GLU HG2 H 1.761 0.007 . 1401 145 145 GLU HG3 H 1.858 0.007 . 1402 145 145 GLU C C 171.927 0.166 . 1403 145 145 GLU CA C 52.084 0.166 . 1404 145 145 GLU CB C 26.774 0.166 . 1405 145 145 GLU CG C 34.134 0.166 . 1406 145 145 GLU N N 119.631 0.121 . 1407 146 146 VAL H H 6.393 0.007 . 1408 146 146 VAL HA H 2.956 0.007 . 1409 146 146 VAL HB H 1.701 0.007 . 1410 146 146 VAL HG1 H 0.744 0.007 . 1411 146 146 VAL HG2 H 0.751 0.007 . 1412 146 146 VAL C C 174.582 0.166 . 1413 146 146 VAL CA C 64.078 0.166 . 1414 146 146 VAL CB C 29.140 0.166 . 1415 146 146 VAL CG1 C 18.760 0.166 . 1416 146 146 VAL CG2 C 21.156 0.166 . 1417 146 146 VAL N N 118.791 0.121 . 1418 147 147 ASP H H 8.393 0.007 . 1419 147 147 ASP HA H 4.070 0.007 . 1420 147 147 ASP HB2 H 2.418 0.007 . 1421 147 147 ASP HB3 H 2.418 0.007 . 1422 147 147 ASP C C 174.774 0.166 . 1423 147 147 ASP CA C 54.322 0.166 . 1424 147 147 ASP CB C 37.204 0.166 . 1425 147 147 ASP N N 119.410 0.121 . 1426 148 148 LYS H H 7.078 0.007 . 1427 148 148 LYS HA H 3.951 0.007 . 1428 148 148 LYS HB2 H 1.709 0.007 . 1429 148 148 LYS HB3 H 1.709 0.007 . 1430 148 148 LYS HG2 H 1.374 0.007 . 1431 148 148 LYS HG3 H 1.295 0.007 . 1432 148 148 LYS HD2 H 1.581 0.007 . 1433 148 148 LYS HD3 H 1.581 0.007 . 1434 148 148 LYS HE2 H 2.935 0.007 . 1435 148 148 LYS HE3 H 2.935 0.007 . 1436 148 148 LYS C C 176.410 0.166 . 1437 148 148 LYS CA C 55.736 0.166 . 1438 148 148 LYS CB C 29.576 0.166 . 1439 148 148 LYS CG C 22.195 0.166 . 1440 148 148 LYS CD C 26.559 0.166 . 1441 148 148 LYS CE C 39.521 0.166 . 1442 148 148 LYS N N 119.422 0.121 . 1443 149 149 TRP H H 7.914 0.007 . 1444 149 149 TRP HA H 4.601 0.007 . 1445 149 149 TRP HB2 H 2.923 0.007 . 1446 149 149 TRP HB3 H 3.105 0.007 . 1447 149 149 TRP HD1 H 6.880 0.007 . 1448 149 149 TRP HE1 H 10.386 0.007 . 1449 149 149 TRP HE3 H 7.049 0.007 . 1450 149 149 TRP HZ2 H 6.958 0.007 . 1451 149 149 TRP HZ3 H 6.584 0.007 . 1452 149 149 TRP HH2 H 6.987 0.007 . 1453 149 149 TRP C C 174.199 0.166 . 1454 149 149 TRP CA C 53.795 0.166 . 1455 149 149 TRP CB C 27.011 0.166 . 1456 149 149 TRP CD1 C 120.628 0.166 . 1457 149 149 TRP CE3 C 115.761 0.166 . 1458 149 149 TRP CZ2 C 110.264 0.166 . 1459 149 149 TRP CZ3 C 113.344 0.166 . 1460 149 149 TRP CH2 C 118.733 0.166 . 1461 149 149 TRP N N 118.168 0.121 . 1462 149 149 TRP NE1 N 129.143 0.121 . 1463 150 150 SER H H 7.814 0.007 . 1464 150 150 SER HA H 4.242 0.007 . 1465 150 150 SER HB2 H 3.694 0.007 . 1466 150 150 SER HB3 H 4.008 0.007 . 1467 150 150 SER C C 170.173 0.166 . 1468 150 150 SER CA C 56.912 0.166 . 1469 150 150 SER CB C 62.087 0.166 . 1470 150 150 SER N N 109.636 0.121 . 1471 151 151 LYS H H 7.224 0.007 . 1472 151 151 LYS HA H 4.177 0.007 . 1473 151 151 LYS HB2 H 1.791 0.007 . 1474 151 151 LYS HB3 H 1.742 0.007 . 1475 151 151 LYS HG2 H 1.397 0.007 . 1476 151 151 LYS HG3 H 1.397 0.007 . 1477 151 151 LYS HD2 H 1.604 0.007 . 1478 151 151 LYS HD3 H 1.604 0.007 . 1479 151 151 LYS HE2 H 2.902 0.007 . 1480 151 151 LYS HE3 H 2.902 0.007 . 1481 151 151 LYS CA C 55.377 0.166 . 1482 151 151 LYS CB C 31.361 0.166 . 1483 151 151 LYS CG C 22.234 0.166 . 1484 151 151 LYS CD C 26.688 0.166 . 1485 151 151 LYS CE C 39.744 0.166 . 1486 151 151 LYS N N 127.346 0.121 . stop_ save_