data_19806 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of hypothetical protein ZP_02064002.1 from Bacteroides ovatus ATCC 8483 ; _BMRB_accession_number 19806 _BMRB_flat_file_name bmr19806.str _Entry_type original _Submission_date 2014-02-19 _Accession_date 2014-02-19 _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" 896 "13C chemical shifts" 497 "15N chemical shifts" 158 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-09-02 original BMRB . stop_ _Original_release_date 2015-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of hypothetical protein ZP_02064002.1 from Bacteroides ovatus ATCC 8483 ; _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 'hypothetical protein ZP_02064002.1 from Bacteroides ovatus ATCC 8483' _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 . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; GDSELTTQDGEDFKSFLDKF TSSAAFQYTRVKFPLKTPIT LLADDGETEKTFPFTKEKWP LLDSETMKEERITQEEGGIY VSKFTLNEPKHKIFEAGYEE SEVDLRVEFELQADGKWYVV DCYTGWYGYDLPIGELKQTI QNVKEENAAFKEIHP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 ASP 3 3 SER 4 4 GLU 5 5 LEU 6 6 THR 7 7 THR 8 8 GLN 9 9 ASP 10 10 GLY 11 11 GLU 12 12 ASP 13 13 PHE 14 14 LYS 15 15 SER 16 16 PHE 17 17 LEU 18 18 ASP 19 19 LYS 20 20 PHE 21 21 THR 22 22 SER 23 23 SER 24 24 ALA 25 25 ALA 26 26 PHE 27 27 GLN 28 28 TYR 29 29 THR 30 30 ARG 31 31 VAL 32 32 LYS 33 33 PHE 34 34 PRO 35 35 LEU 36 36 LYS 37 37 THR 38 38 PRO 39 39 ILE 40 40 THR 41 41 LEU 42 42 LEU 43 43 ALA 44 44 ASP 45 45 ASP 46 46 GLY 47 47 GLU 48 48 THR 49 49 GLU 50 50 LYS 51 51 THR 52 52 PHE 53 53 PRO 54 54 PHE 55 55 THR 56 56 LYS 57 57 GLU 58 58 LYS 59 59 TRP 60 60 PRO 61 61 LEU 62 62 LEU 63 63 ASP 64 64 SER 65 65 GLU 66 66 THR 67 67 MET 68 68 LYS 69 69 GLU 70 70 GLU 71 71 ARG 72 72 ILE 73 73 THR 74 74 GLN 75 75 GLU 76 76 GLU 77 77 GLY 78 78 GLY 79 79 ILE 80 80 TYR 81 81 VAL 82 82 SER 83 83 LYS 84 84 PHE 85 85 THR 86 86 LEU 87 87 ASN 88 88 GLU 89 89 PRO 90 90 LYS 91 91 HIS 92 92 LYS 93 93 ILE 94 94 PHE 95 95 GLU 96 96 ALA 97 97 GLY 98 98 TYR 99 99 GLU 100 100 GLU 101 101 SER 102 102 GLU 103 103 VAL 104 104 ASP 105 105 LEU 106 106 ARG 107 107 VAL 108 108 GLU 109 109 PHE 110 110 GLU 111 111 LEU 112 112 GLN 113 113 ALA 114 114 ASP 115 115 GLY 116 116 LYS 117 117 TRP 118 118 TYR 119 119 VAL 120 120 VAL 121 121 ASP 122 122 CYS 123 123 TYR 124 124 THR 125 125 GLY 126 126 TRP 127 127 TYR 128 128 GLY 129 129 TYR 130 130 ASP 131 131 LEU 132 132 PRO 133 133 ILE 134 134 GLY 135 135 GLU 136 136 LEU 137 137 LYS 138 138 GLN 139 139 THR 140 140 ILE 141 141 GLN 142 142 ASN 143 143 VAL 144 144 LYS 145 145 GLU 146 146 GLU 147 147 ASN 148 148 ALA 149 149 ALA 150 150 PHE 151 151 LYS 152 152 GLU 153 153 ILE 154 154 HIS 155 155 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2ML5 "Nmr Structure Of Protein Zp_02064002.1 From Bacteroides Ovatus Atcc 8483" 100.00 155 100.00 100.00 2.27e-107 EMBL CBK67627 "hypothetical protein BXY_25830 [Bacteroides xylanisolvens XB1A]" 100.00 186 97.42 98.06 1.42e-105 EMBL CDM02213 "FIG00407889: hypothetical protein [Bacteroides xylanisolvens SD CC 2a]" 100.00 186 97.42 99.35 1.63e-106 EMBL CDM07816 "FIG00407889: hypothetical protein [Bacteroides xylanisolvens SD CC 1b]" 100.00 186 97.42 99.35 1.63e-106 EMBL CUO57325 "Uncharacterised protein [Bacteroides xylanisolvens]" 100.00 186 97.42 99.35 1.63e-106 GB ALJ48042 "hypothetical protein Bovatus_03435 [Bacteroides ovatus]" 100.00 177 99.35 99.35 2.31e-107 GB EDO13427 "hypothetical protein BACOVA_00961 [Bacteroides ovatus ATCC 8483]" 100.00 186 99.35 99.35 2.37e-107 GB EEO48558 "hypothetical protein BSAG_00268 [Bacteroides sp. D1]" 100.00 177 97.42 99.35 1.39e-106 GB EEO56081 "hypothetical protein BSCG_03007 [Bacteroides sp. 2_2_4]" 100.00 177 97.42 99.35 1.39e-106 GB EEZ05524 "hypothetical protein HMPREF0102_00523 [Bacteroides sp. 2_1_22]" 100.00 186 97.42 99.35 1.63e-106 REF WP_004298133 "hypothetical protein [Bacteroides ovatus]" 100.00 186 99.35 99.35 2.37e-107 REF WP_004313843 "MULTISPECIES: hypothetical protein [Bacteroides]" 100.00 186 97.42 99.35 1.63e-106 REF WP_008649001 "hypothetical protein [Bacteroides sp. 3_1_23]" 100.00 186 98.06 99.35 4.81e-107 REF WP_032811951 "MULTISPECIES: hypothetical protein [Bacteroides]" 100.00 186 98.71 99.35 3.21e-107 REF WP_032852245 "hypothetical protein [Bacteroides ovatus]" 100.00 186 97.42 99.35 1.20e-106 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity 'CFB Group Bacteria' 411476 Bacteria . Bacteroides ovatus 'ATCC 8482' 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 Bl21 SpeedET 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_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G ntert P.' . . 'Herrmann and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'structure solution' stop_ _Details . save_ save_CYANA_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G ntert P.' . . 'Herrmann and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'structure solution' 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_ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' 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_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_GAPRO _Saveframe_category software _Name GAPRO _Version . loop_ _Vendor _Address _Electronic_address 'Hiller S' . . stop_ loop_ _Task 'peak picking' 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_APSY_4D-HACANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D-HACANH' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_ _Experiment_label 'APSY 4D-HACANH' 'APSY 5D-HACACONH' 'APSY 5D-CBCACONH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HNCA' 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 3 3 SER H H 8.412 0.006 1 2 3 3 SER HA H 4.463 0.006 1 3 3 3 SER HB2 H 3.921 0.006 2 4 3 3 SER HB3 H 3.888 0.006 2 5 3 3 SER CA C 58.340 0.129 1 6 3 3 SER CB C 63.457 0.129 1 7 3 3 SER N N 114.847 0.156 1 8 4 4 GLU H H 8.466 0.006 1 9 4 4 GLU HA H 4.332 0.006 1 10 4 4 GLU HB2 H 1.977 0.006 1 11 4 4 GLU HB3 H 1.977 0.006 1 12 4 4 GLU CA C 56.443 0.129 1 13 4 4 GLU CB C 29.966 0.129 1 14 4 4 GLU N N 121.498 0.156 1 15 5 5 LEU H H 8.213 0.006 1 16 5 5 LEU HA H 4.437 0.006 1 17 5 5 LEU HB2 H 1.645 0.006 2 18 5 5 LEU HB3 H 1.691 0.006 2 19 5 5 LEU HD1 H 0.880 0.006 2 20 5 5 LEU HD2 H 0.950 0.006 2 21 5 5 LEU CA C 55.019 0.129 1 22 5 5 LEU CB C 42.243 0.129 1 23 5 5 LEU CD1 C 23.401 0.129 2 24 5 5 LEU CD2 C 24.833 0.129 2 25 5 5 LEU N N 121.589 0.156 1 26 6 6 THR H H 8.138 0.006 1 27 6 6 THR HA H 4.470 0.006 1 28 6 6 THR HB H 4.281 0.006 1 29 6 6 THR CA C 61.409 0.129 1 30 6 6 THR CB C 69.544 0.129 1 31 6 6 THR N N 113.708 0.156 1 32 7 7 THR H H 8.142 0.006 1 33 7 7 THR HA H 4.415 0.006 1 34 7 7 THR HB H 4.277 0.006 1 35 7 7 THR HG2 H 1.222 0.006 1 36 7 7 THR CA C 61.435 0.129 1 37 7 7 THR CB C 69.506 0.129 1 38 7 7 THR CG2 C 21.532 0.129 1 39 7 7 THR N N 114.945 0.156 1 40 8 8 GLN H H 8.386 0.006 1 41 8 8 GLN HE21 H 6.821 0.006 2 42 8 8 GLN HE22 H 7.518 0.006 2 43 8 8 GLN CA C 55.684 0.129 1 44 8 8 GLN N N 121.368 0.156 1 45 8 8 GLN NE2 N 111.342 0.156 1 46 9 9 ASP H H 8.324 0.006 1 47 9 9 ASP HA H 4.647 0.006 1 48 9 9 ASP HB2 H 2.712 0.006 2 49 9 9 ASP HB3 H 2.592 0.006 2 50 9 9 ASP CA C 54.115 0.129 1 51 9 9 ASP CB C 41.328 0.129 1 52 9 9 ASP N N 120.595 0.156 1 53 10 10 GLY H H 8.037 0.006 1 54 10 10 GLY HA2 H 4.009 0.006 2 55 10 10 GLY HA3 H 3.884 0.006 2 56 10 10 GLY CA C 44.495 0.129 1 57 10 10 GLY N N 106.984 0.156 1 58 11 11 GLU H H 7.863 0.006 1 59 11 11 GLU HA H 4.189 0.006 1 60 11 11 GLU HB2 H 2.303 0.006 2 61 11 11 GLU HB3 H 2.226 0.006 2 62 11 11 GLU HG2 H 2.522 0.006 1 63 11 11 GLU HG3 H 2.522 0.006 1 64 11 11 GLU CA C 56.510 0.129 1 65 11 11 GLU CB C 33.069 0.129 1 66 11 11 GLU CG C 37.279 0.129 1 67 11 11 GLU N N 120.879 0.156 1 68 12 12 ASP H H 8.829 0.006 1 69 12 12 ASP HA H 4.750 0.006 1 70 12 12 ASP HB2 H 2.895 0.006 2 71 12 12 ASP HB3 H 2.742 0.006 2 72 12 12 ASP CA C 54.347 0.129 1 73 12 12 ASP CB C 42.771 0.129 1 74 12 12 ASP N N 126.686 0.156 1 75 13 13 PHE H H 9.387 0.006 1 76 13 13 PHE HA H 3.412 0.006 1 77 13 13 PHE HB2 H 2.563 0.006 1 78 13 13 PHE HB3 H 2.563 0.006 1 79 13 13 PHE CA C 62.551 0.129 1 80 13 13 PHE CB C 38.833 0.129 1 81 13 13 PHE N N 128.055 0.156 1 82 14 14 LYS H H 8.205 0.006 1 83 14 14 LYS HA H 3.581 0.006 1 84 14 14 LYS HB2 H 1.866 0.006 1 85 14 14 LYS HB3 H 1.866 0.006 1 86 14 14 LYS HG2 H 1.366 0.006 2 87 14 14 LYS HG3 H 1.477 0.006 2 88 14 14 LYS HD2 H 1.693 0.006 1 89 14 14 LYS HD3 H 1.693 0.006 1 90 14 14 LYS HE2 H 3.003 0.006 1 91 14 14 LYS HE3 H 3.003 0.006 1 92 14 14 LYS CA C 59.461 0.129 1 93 14 14 LYS CB C 31.344 0.129 1 94 14 14 LYS CG C 24.999 0.129 1 95 14 14 LYS CD C 28.657 0.129 1 96 14 14 LYS CE C 42.012 0.129 1 97 14 14 LYS N N 117.498 0.156 1 98 15 15 SER H H 8.013 0.006 1 99 15 15 SER HA H 4.167 0.006 1 100 15 15 SER HB2 H 4.022 0.006 2 101 15 15 SER HB3 H 3.953 0.006 2 102 15 15 SER CA C 61.099 0.129 1 103 15 15 SER CB C 62.428 0.129 1 104 15 15 SER N N 113.775 0.156 1 105 16 16 PHE H H 7.907 0.006 1 106 16 16 PHE HA H 4.290 0.006 1 107 16 16 PHE HB2 H 2.875 0.006 2 108 16 16 PHE HB3 H 3.305 0.006 2 109 16 16 PHE HD1 H 5.967 0.006 3 110 16 16 PHE HD2 H 5.967 0.006 3 111 16 16 PHE HE1 H 7.567 0.006 3 112 16 16 PHE HE2 H 7.567 0.006 3 113 16 16 PHE CA C 59.773 0.129 1 114 16 16 PHE CB C 37.175 0.129 1 115 16 16 PHE CD2 C 133.393 0.129 3 116 16 16 PHE CE2 C 132.913 0.129 3 117 16 16 PHE N N 122.292 0.156 1 118 17 17 LEU H H 8.386 0.006 1 119 17 17 LEU HA H 2.850 0.006 1 120 17 17 LEU HB2 H 1.349 0.006 2 121 17 17 LEU HB3 H 0.335 0.006 2 122 17 17 LEU HG H 1.347 0.006 1 123 17 17 LEU HD1 H 0.404 0.006 2 124 17 17 LEU HD2 H 0.662 0.006 2 125 17 17 LEU CA C 56.619 0.129 1 126 17 17 LEU CB C 40.462 0.129 1 127 17 17 LEU CG C 25.641 0.129 1 128 17 17 LEU CD1 C 23.521 0.129 2 129 17 17 LEU CD2 C 25.211 0.129 2 130 17 17 LEU N N 122.472 0.156 1 131 18 18 ASP H H 7.628 0.006 1 132 18 18 ASP HA H 4.115 0.006 1 133 18 18 ASP HB2 H 2.573 0.006 2 134 18 18 ASP HB3 H 2.602 0.006 2 135 18 18 ASP CA C 56.395 0.129 1 136 18 18 ASP CB C 40.353 0.129 1 137 18 18 ASP N N 117.331 0.156 1 138 19 19 LYS H H 7.229 0.006 1 139 19 19 LYS HA H 3.677 0.006 1 140 19 19 LYS HB2 H 1.396 0.006 2 141 19 19 LYS HB3 H 0.869 0.006 2 142 19 19 LYS HG2 H 1.175 0.006 2 143 19 19 LYS HG3 H 0.827 0.006 2 144 19 19 LYS HD2 H 1.258 0.006 2 145 19 19 LYS HD3 H 1.131 0.006 2 146 19 19 LYS HE2 H 2.589 0.006 1 147 19 19 LYS HE3 H 2.589 0.006 1 148 19 19 LYS CA C 59.067 0.129 1 149 19 19 LYS CB C 31.936 0.129 1 150 19 19 LYS CG C 24.905 0.129 1 151 19 19 LYS CD C 28.730 0.129 1 152 19 19 LYS CE C 41.775 0.129 1 153 19 19 LYS N N 120.032 0.156 1 154 20 20 PHE H H 9.067 0.006 1 155 20 20 PHE HA H 4.109 0.006 1 156 20 20 PHE HB2 H 2.906 0.006 1 157 20 20 PHE HB3 H 2.906 0.006 1 158 20 20 PHE HD1 H 6.987 0.006 3 159 20 20 PHE HD2 H 6.987 0.006 3 160 20 20 PHE HE1 H 7.275 0.006 3 161 20 20 PHE HE2 H 7.275 0.006 3 162 20 20 PHE CA C 62.090 0.129 1 163 20 20 PHE CB C 40.469 0.129 1 164 20 20 PHE CD2 C 132.342 0.129 3 165 20 20 PHE CE2 C 131.092 0.129 3 166 20 20 PHE N N 119.607 0.156 1 167 21 21 THR H H 7.979 0.006 1 168 21 21 THR HA H 4.259 0.006 1 169 21 21 THR HG2 H 1.109 0.006 1 170 21 21 THR CA C 61.774 0.129 1 171 21 21 THR CG2 C 22.327 0.129 1 172 21 21 THR N N 101.473 0.156 1 173 22 22 SER H H 7.396 0.006 1 174 22 22 SER HA H 4.165 0.006 1 175 22 22 SER HB2 H 3.972 0.006 2 176 22 22 SER HB3 H 3.931 0.006 2 177 22 22 SER CA C 58.215 0.129 1 178 22 22 SER CB C 64.570 0.129 1 179 22 22 SER N N 111.453 0.156 1 180 23 23 SER H H 7.079 0.006 1 181 23 23 SER HA H 4.764 0.006 1 182 23 23 SER HB2 H 3.719 0.006 1 183 23 23 SER HB3 H 3.719 0.006 1 184 23 23 SER CA C 55.669 0.129 1 185 23 23 SER CB C 64.011 0.129 1 186 23 23 SER N N 114.184 0.156 1 187 24 24 ALA H H 9.549 0.006 1 188 24 24 ALA HA H 3.956 0.006 1 189 24 24 ALA HB H 1.750 0.006 1 190 24 24 ALA CA C 55.106 0.129 1 191 24 24 ALA CB C 19.835 0.129 1 192 24 24 ALA N N 133.370 0.156 1 193 25 25 ALA H H 9.117 0.006 1 194 25 25 ALA HA H 4.317 0.006 1 195 25 25 ALA HB H 1.569 0.006 1 196 25 25 ALA CA C 55.201 0.129 1 197 25 25 ALA CB C 18.349 0.129 1 198 25 25 ALA N N 117.430 0.156 1 199 26 26 PHE H H 7.633 0.006 1 200 26 26 PHE HA H 4.310 0.006 1 201 26 26 PHE HB2 H 3.280 0.006 2 202 26 26 PHE HB3 H 2.959 0.006 2 203 26 26 PHE CA C 60.759 0.129 1 204 26 26 PHE CB C 39.310 0.129 1 205 26 26 PHE N N 116.042 0.156 1 206 27 27 GLN H H 8.976 0.006 1 207 27 27 GLN HA H 3.391 0.006 1 208 27 27 GLN HB2 H 2.493 0.006 2 209 27 27 GLN HB3 H 1.837 0.006 2 210 27 27 GLN HE21 H 7.318 0.006 2 211 27 27 GLN HE22 H 7.772 0.006 2 212 27 27 GLN CA C 60.094 0.129 1 213 27 27 GLN CB C 27.457 0.129 1 214 27 27 GLN N N 121.820 0.156 1 215 27 27 GLN NE2 N 108.927 0.156 1 216 28 28 TYR H H 8.353 0.006 1 217 28 28 TYR HA H 4.130 0.006 1 218 28 28 TYR HB2 H 3.153 0.006 1 219 28 28 TYR HB3 H 3.153 0.006 1 220 28 28 TYR HD1 H 7.194 0.006 3 221 28 28 TYR HD2 H 7.194 0.006 3 222 28 28 TYR HE1 H 6.937 0.006 3 223 28 28 TYR HE2 H 6.937 0.006 3 224 28 28 TYR CA C 62.357 0.129 1 225 28 28 TYR CB C 38.568 0.129 1 226 28 28 TYR CD2 C 132.927 0.129 3 227 28 28 TYR CE2 C 117.399 0.129 3 228 28 28 TYR N N 111.517 0.156 1 229 29 29 THR H H 7.521 0.006 1 230 29 29 THR HA H 4.489 0.006 1 231 29 29 THR HB H 4.458 0.006 1 232 29 29 THR HG2 H 1.553 0.006 1 233 29 29 THR CA C 63.765 0.129 1 234 29 29 THR CB C 69.568 0.129 1 235 29 29 THR CG2 C 21.687 0.129 1 236 29 29 THR N N 106.324 0.156 1 237 30 30 ARG H H 7.481 0.006 1 238 30 30 ARG HA H 4.701 0.006 1 239 30 30 ARG HB2 H 1.791 0.006 1 240 30 30 ARG HB3 H 1.791 0.006 1 241 30 30 ARG HG2 H 1.831 0.006 1 242 30 30 ARG HG3 H 1.831 0.006 1 243 30 30 ARG HD2 H 3.081 0.006 1 244 30 30 ARG HD3 H 3.081 0.006 1 245 30 30 ARG CA C 52.760 0.129 1 246 30 30 ARG CB C 35.047 0.129 1 247 30 30 ARG CG C 29.894 0.129 1 248 30 30 ARG CD C 41.855 0.129 1 249 30 30 ARG N N 117.696 0.156 1 250 31 31 VAL H H 7.025 0.006 1 251 31 31 VAL HA H 4.230 0.006 1 252 31 31 VAL HB H 1.058 0.006 1 253 31 31 VAL HG1 H -1.019 0.006 2 254 31 31 VAL HG2 H 0.241 0.006 2 255 31 31 VAL CA C 61.191 0.129 1 256 31 31 VAL CB C 32.173 0.129 1 257 31 31 VAL CG1 C 22.446 0.129 2 258 31 31 VAL CG2 C 19.097 0.129 2 259 31 31 VAL N N 119.395 0.156 1 260 32 32 LYS H H 8.061 0.006 1 261 32 32 LYS HA H 4.184 0.006 1 262 32 32 LYS HB2 H 1.704 0.006 2 263 32 32 LYS HB3 H 1.609 0.006 2 264 32 32 LYS HG2 H 1.129 0.006 2 265 32 32 LYS HG3 H 1.042 0.006 2 266 32 32 LYS HD2 H 1.216 0.006 2 267 32 32 LYS HD3 H 1.367 0.006 2 268 32 32 LYS HE2 H 2.275 0.006 2 269 32 32 LYS HE3 H 2.106 0.006 2 270 32 32 LYS CA C 53.958 0.129 1 271 32 32 LYS CB C 31.112 0.129 1 272 32 32 LYS CG C 24.357 0.129 1 273 32 32 LYS CD C 28.585 0.129 1 274 32 32 LYS CE C 41.288 0.129 1 275 32 32 LYS N N 126.124 0.156 1 276 33 33 PHE H H 7.497 0.006 1 277 33 33 PHE HA H 4.514 0.006 1 278 33 33 PHE HB2 H 3.098 0.006 1 279 33 33 PHE HB3 H 3.098 0.006 1 280 33 33 PHE HD1 H 7.451 0.006 3 281 33 33 PHE HD2 H 7.451 0.006 3 282 33 33 PHE HE1 H 7.502 0.006 3 283 33 33 PHE HE2 H 7.502 0.006 3 284 33 33 PHE CA C 56.272 0.129 1 285 33 33 PHE CB C 40.378 0.129 1 286 33 33 PHE CD2 C 132.089 0.129 3 287 33 33 PHE CE2 C 130.885 0.129 3 288 33 33 PHE N N 119.303 0.156 1 289 34 34 PRO HA H 4.968 0.006 1 290 34 34 PRO HB2 H 2.233 0.006 2 291 34 34 PRO HB3 H 2.347 0.006 2 292 34 34 PRO HG2 H 1.959 0.006 2 293 34 34 PRO HG3 H 2.088 0.006 2 294 34 34 PRO HD2 H 3.599 0.006 2 295 34 34 PRO HD3 H 3.691 0.006 2 296 34 34 PRO CA C 61.633 0.129 1 297 34 34 PRO CB C 33.732 0.129 1 298 34 34 PRO CG C 24.826 0.129 1 299 34 34 PRO CD C 50.201 0.129 1 300 35 35 LEU H H 8.051 0.006 1 301 35 35 LEU HA H 4.222 0.006 1 302 35 35 LEU HB2 H 1.984 0.006 1 303 35 35 LEU HB3 H 1.984 0.006 1 304 35 35 LEU HG H 1.474 0.006 1 305 35 35 LEU HD1 H 0.241 0.006 2 306 35 35 LEU HD2 H 0.230 0.006 2 307 35 35 LEU CA C 54.840 0.129 1 308 35 35 LEU CB C 41.244 0.129 1 309 35 35 LEU CG C 27.302 0.129 1 310 35 35 LEU CD1 C 25.344 0.129 2 311 35 35 LEU CD2 C 23.043 0.129 2 312 35 35 LEU N N 120.016 0.156 1 313 36 36 LYS H H 7.208 0.006 1 314 36 36 LYS HA H 3.975 0.006 1 315 36 36 LYS HB2 H 1.819 0.006 2 316 36 36 LYS HB3 H 1.725 0.006 2 317 36 36 LYS HG2 H 1.506 0.006 2 318 36 36 LYS HG3 H 1.704 0.006 2 319 36 36 LYS HD2 H 1.727 0.006 2 320 36 36 LYS HD3 H 1.822 0.006 2 321 36 36 LYS HE2 H 2.899 0.006 1 322 36 36 LYS HE3 H 2.899 0.006 1 323 36 36 LYS CA C 60.247 0.129 1 324 36 36 LYS CB C 32.832 0.129 1 325 36 36 LYS CG C 25.150 0.129 1 326 36 36 LYS CD C 32.727 0.129 1 327 36 36 LYS CE C 41.942 0.129 1 328 36 36 LYS N N 117.066 0.156 1 329 37 37 THR H H 8.980 0.006 1 330 37 37 THR HA H 4.797 0.006 1 331 37 37 THR HG2 H 1.618 0.006 1 332 37 37 THR CA C 60.396 0.129 1 333 37 37 THR CG2 C 21.230 0.129 1 334 37 37 THR N N 117.574 0.156 1 335 38 38 PRO HA H 5.019 0.006 1 336 38 38 PRO HB2 H 2.289 0.006 2 337 38 38 PRO HB3 H 1.900 0.006 2 338 38 38 PRO HG2 H 2.068 0.006 2 339 38 38 PRO HG3 H 1.876 0.006 2 340 38 38 PRO HD2 H 3.984 0.006 2 341 38 38 PRO HD3 H 4.024 0.006 2 342 38 38 PRO CA C 61.923 0.129 1 343 38 38 PRO CB C 32.631 0.129 1 344 38 38 PRO CG C 26.440 0.129 1 345 38 38 PRO CD C 50.511 0.129 1 346 39 39 ILE H H 8.485 0.006 1 347 39 39 ILE HA H 4.239 0.006 1 348 39 39 ILE HG12 H 1.342 0.006 2 349 39 39 ILE HG13 H 0.784 0.006 2 350 39 39 ILE HG2 H 0.824 0.006 1 351 39 39 ILE HD1 H -0.222 0.006 1 352 39 39 ILE CA C 62.133 0.129 1 353 39 39 ILE CG1 C 28.097 0.129 1 354 39 39 ILE CG2 C 17.049 0.129 1 355 39 39 ILE CD1 C 13.784 0.129 1 356 39 39 ILE N N 119.949 0.156 1 357 40 40 THR H H 8.561 0.006 1 358 40 40 THR HA H 5.057 0.006 1 359 40 40 THR HB H 4.036 0.006 1 360 40 40 THR HG2 H 1.142 0.006 1 361 40 40 THR CA C 62.262 0.129 1 362 40 40 THR CB C 69.891 0.129 1 363 40 40 THR CG2 C 21.122 0.129 1 364 40 40 THR N N 123.962 0.156 1 365 41 41 LEU H H 9.012 0.006 1 366 41 41 LEU HA H 5.102 0.006 1 367 41 41 LEU HB2 H 1.767 0.006 2 368 41 41 LEU HB3 H 1.618 0.006 2 369 41 41 LEU HG H 1.664 0.006 1 370 41 41 LEU HD1 H 1.036 0.006 2 371 41 41 LEU HD2 H 0.781 0.006 2 372 41 41 LEU CA C 52.638 0.129 1 373 41 41 LEU CB C 45.180 0.129 1 374 41 41 LEU CG C 27.703 0.129 1 375 41 41 LEU CD1 C 24.495 0.129 2 376 41 41 LEU CD2 C 27.106 0.129 2 377 41 41 LEU N N 125.633 0.156 1 378 42 42 LEU H H 8.603 0.006 1 379 42 42 LEU HA H 4.748 0.006 1 380 42 42 LEU HB2 H 1.433 0.006 2 381 42 42 LEU HB3 H 1.510 0.006 2 382 42 42 LEU HG H 1.647 0.006 1 383 42 42 LEU HD1 H 0.785 0.006 1 384 42 42 LEU HD2 H 0.785 0.006 1 385 42 42 LEU CA C 53.724 0.129 1 386 42 42 LEU CB C 44.384 0.129 1 387 42 42 LEU CG C 26.524 0.129 1 388 42 42 LEU CD1 C 24.300 0.129 2 389 42 42 LEU N N 120.788 0.156 1 390 43 43 ALA H H 8.807 0.006 1 391 43 43 ALA HA H 4.430 0.006 1 392 43 43 ALA HB H 1.610 0.006 1 393 43 43 ALA CA C 51.288 0.129 1 394 43 43 ALA CB C 20.014 0.129 1 395 43 43 ALA N N 123.073 0.156 1 396 44 44 ASP H H 8.602 0.006 1 397 44 44 ASP HA H 4.426 0.006 1 398 44 44 ASP HB2 H 2.762 0.006 1 399 44 44 ASP HB3 H 2.762 0.006 1 400 44 44 ASP CA C 56.028 0.129 1 401 44 44 ASP CB C 40.210 0.129 1 402 44 44 ASP N N 118.196 0.156 1 403 45 45 ASP H H 7.573 0.006 1 404 45 45 ASP HA H 4.469 0.006 1 405 45 45 ASP HB2 H 3.087 0.006 2 406 45 45 ASP HB3 H 2.762 0.006 2 407 45 45 ASP CA C 53.794 0.129 1 408 45 45 ASP CB C 39.864 0.129 1 409 45 45 ASP N N 115.018 0.156 1 410 46 46 GLY H H 8.376 0.006 1 411 46 46 GLY HA2 H 3.758 0.006 2 412 46 46 GLY HA3 H 4.207 0.006 2 413 46 46 GLY CA C 45.914 0.129 1 414 46 46 GLY N N 107.499 0.156 1 415 47 47 GLU H H 8.548 0.006 1 416 47 47 GLU HA H 4.531 0.006 1 417 47 47 GLU HB2 H 2.007 0.006 2 418 47 47 GLU HB3 H 1.825 0.006 2 419 47 47 GLU HG2 H 2.222 0.006 2 420 47 47 GLU HG3 H 2.115 0.006 2 421 47 47 GLU CA C 56.938 0.129 1 422 47 47 GLU CB C 33.133 0.129 1 423 47 47 GLU CG C 35.749 0.129 1 424 47 47 GLU N N 117.331 0.156 1 425 48 48 THR H H 9.360 0.006 1 426 48 48 THR HA H 4.243 0.006 1 427 48 48 THR HB H 4.247 0.006 1 428 48 48 THR HG2 H 1.233 0.006 1 429 48 48 THR CA C 62.834 0.129 1 430 48 48 THR CB C 68.649 0.129 1 431 48 48 THR CG2 C 21.521 0.129 1 432 48 48 THR N N 118.462 0.156 1 433 49 49 GLU H H 8.576 0.006 1 434 49 49 GLU HA H 4.945 0.006 1 435 49 49 GLU HB2 H 1.998 0.006 2 436 49 49 GLU HB3 H 1.849 0.006 2 437 49 49 GLU HG2 H 2.143 0.006 2 438 49 49 GLU HG3 H 2.353 0.006 2 439 49 49 GLU CA C 55.358 0.129 1 440 49 49 GLU CB C 31.395 0.129 1 441 49 49 GLU CG C 36.510 0.129 1 442 49 49 GLU N N 123.834 0.156 1 443 50 50 LYS H H 9.213 0.006 1 444 50 50 LYS HA H 4.641 0.006 1 445 50 50 LYS HB2 H 1.617 0.006 2 446 50 50 LYS HB3 H 1.658 0.006 2 447 50 50 LYS HG2 H 1.296 0.006 2 448 50 50 LYS HG3 H 1.361 0.006 2 449 50 50 LYS HD2 H 1.626 0.006 1 450 50 50 LYS HD3 H 1.626 0.006 1 451 50 50 LYS HE2 H 2.894 0.006 1 452 50 50 LYS HE3 H 2.894 0.006 1 453 50 50 LYS CA C 54.111 0.129 1 454 50 50 LYS CB C 35.312 0.129 1 455 50 50 LYS CG C 24.672 0.129 1 456 50 50 LYS CD C 29.379 0.129 1 457 50 50 LYS CE C 41.795 0.129 1 458 50 50 LYS N N 122.868 0.156 1 459 51 51 THR H H 7.841 0.006 1 460 51 51 THR HA H 5.619 0.006 1 461 51 51 THR HB H 3.964 0.006 1 462 51 51 THR HG2 H 1.200 0.006 1 463 51 51 THR CA C 58.980 0.129 1 464 51 51 THR CB C 71.277 0.129 1 465 51 51 THR CG2 C 21.906 0.129 1 466 51 51 THR N N 111.386 0.156 1 467 52 52 PHE H H 9.338 0.006 1 468 52 52 PHE HA H 4.963 0.006 1 469 52 52 PHE HB2 H 2.568 0.006 2 470 52 52 PHE HB3 H 2.931 0.006 2 471 52 52 PHE HD1 H 7.168 0.006 3 472 52 52 PHE HD2 H 7.168 0.006 3 473 52 52 PHE HE1 H 7.146 0.006 3 474 52 52 PHE HE2 H 7.146 0.006 3 475 52 52 PHE CA C 54.129 0.129 1 476 52 52 PHE CB C 41.049 0.129 1 477 52 52 PHE CD1 C 131.998 0.129 1 478 52 52 PHE CE1 C 130.838 0.129 3 479 52 52 PHE N N 120.631 0.156 1 480 53 53 PRO HA H 4.448 0.006 1 481 53 53 PRO HB2 H 1.982 0.006 2 482 53 53 PRO HB3 H 2.309 0.006 2 483 53 53 PRO HG2 H 2.077 0.006 2 484 53 53 PRO HG3 H 2.195 0.006 2 485 53 53 PRO HD2 H 3.926 0.006 2 486 53 53 PRO HD3 H 3.869 0.006 2 487 53 53 PRO CA C 62.489 0.129 1 488 53 53 PRO CB C 32.240 0.129 1 489 53 53 PRO CG C 27.591 0.129 1 490 53 53 PRO CD C 50.339 0.129 1 491 54 54 PHE H H 10.348 0.006 1 492 54 54 PHE HA H 4.828 0.006 1 493 54 54 PHE HB2 H 3.131 0.006 2 494 54 54 PHE HB3 H 3.985 0.006 2 495 54 54 PHE HD1 H 7.649 0.006 3 496 54 54 PHE HD2 H 7.649 0.006 3 497 54 54 PHE CA C 55.509 0.129 1 498 54 54 PHE CB C 37.028 0.129 1 499 54 54 PHE CD2 C 130.739 0.129 3 500 54 54 PHE N N 128.034 0.156 1 501 55 55 THR H H 7.173 0.006 1 502 55 55 THR HA H 4.413 0.006 1 503 55 55 THR HB H 4.608 0.006 1 504 55 55 THR HG2 H 1.245 0.006 1 505 55 55 THR CA C 60.578 0.129 1 506 55 55 THR CB C 69.447 0.129 1 507 55 55 THR CG2 C 23.408 0.129 1 508 55 55 THR N N 111.757 0.156 1 509 56 56 LYS H H 8.052 0.006 1 510 56 56 LYS HA H 2.482 0.006 1 511 56 56 LYS HB2 H 1.040 0.006 2 512 56 56 LYS HB3 H 1.278 0.006 2 513 56 56 LYS HD2 H 1.351 0.006 1 514 56 56 LYS HD3 H 1.351 0.006 1 515 56 56 LYS HE2 H 2.294 0.006 1 516 56 56 LYS HE3 H 2.294 0.006 1 517 56 56 LYS CA C 59.381 0.129 1 518 56 56 LYS CB C 33.250 0.129 1 519 56 56 LYS CD C 29.318 0.129 1 520 56 56 LYS CE C 41.318 0.129 1 521 56 56 LYS N N 118.734 0.156 1 522 57 57 GLU H H 9.277 0.006 1 523 57 57 GLU HA H 4.269 0.006 1 524 57 57 GLU HB2 H 2.054 0.006 2 525 57 57 GLU HB3 H 1.951 0.006 2 526 57 57 GLU HG2 H 2.487 0.006 1 527 57 57 GLU HG3 H 2.487 0.006 1 528 57 57 GLU CA C 57.152 0.129 1 529 57 57 GLU CB C 26.950 0.129 1 530 57 57 GLU CG C 35.501 0.129 1 531 57 57 GLU N N 119.675 0.156 1 532 58 58 LYS H H 7.620 0.006 1 533 58 58 LYS HA H 4.312 0.006 1 534 58 58 LYS HB2 H 0.865 0.006 2 535 58 58 LYS HB3 H 1.394 0.006 2 536 58 58 LYS HG2 H 1.165 0.006 2 537 58 58 LYS HG3 H 0.823 0.006 2 538 58 58 LYS HD2 H 1.131 0.006 2 539 58 58 LYS HD3 H 1.258 0.006 2 540 58 58 LYS HE2 H 2.589 0.006 1 541 58 58 LYS HE3 H 2.589 0.006 1 542 58 58 LYS CA C 55.595 0.129 1 543 58 58 LYS CB C 32.011 0.129 1 544 58 58 LYS CG C 24.870 0.129 1 545 58 58 LYS CD C 28.643 0.129 1 546 58 58 LYS CE C 41.787 0.129 1 547 58 58 LYS N N 114.700 0.156 1 548 59 59 TRP H H 7.411 0.006 1 549 59 59 TRP HA H 5.099 0.006 1 550 59 59 TRP HB2 H 3.650 0.006 2 551 59 59 TRP HB3 H 3.622 0.006 2 552 59 59 TRP HD1 H 6.595 0.006 1 553 59 59 TRP HE1 H 10.781 0.006 1 554 59 59 TRP HE3 H 7.414 0.006 1 555 59 59 TRP HZ2 H 7.400 0.006 1 556 59 59 TRP HZ3 H 7.013 0.006 1 557 59 59 TRP CA C 55.577 0.129 1 558 59 59 TRP CB C 32.037 0.129 1 559 59 59 TRP CD1 C 126.452 0.129 1 560 59 59 TRP CE3 C 120.145 0.129 1 561 59 59 TRP CZ2 C 114.700 0.129 1 562 59 59 TRP CZ3 C 122.292 0.129 1 563 59 59 TRP N N 118.204 0.156 1 564 59 59 TRP NE1 N 131.580 0.156 1 565 60 60 PRO HA H 4.263 0.006 1 566 60 60 PRO HB2 H 1.537 0.006 2 567 60 60 PRO HB3 H 1.563 0.006 2 568 60 60 PRO HG2 H 1.374 0.006 2 569 60 60 PRO HG3 H 1.970 0.006 2 570 60 60 PRO HD2 H 3.158 0.006 1 571 60 60 PRO HD3 H 3.158 0.006 1 572 60 60 PRO CA C 59.721 0.129 1 573 60 60 PRO CB C 29.849 0.129 1 574 60 60 PRO CG C 27.223 0.129 1 575 60 60 PRO CD C 50.623 0.129 1 576 61 61 LEU H H 8.160 0.006 1 577 61 61 LEU HA H 3.639 0.006 1 578 61 61 LEU HB2 H 0.682 0.006 2 579 61 61 LEU HB3 H -0.437 0.006 2 580 61 61 LEU HG H 1.177 0.006 1 581 61 61 LEU HD1 H 0.747 0.006 2 582 61 61 LEU HD2 H 0.095 0.006 2 583 61 61 LEU CA C 54.875 0.129 1 584 61 61 LEU CB C 40.815 0.129 1 585 61 61 LEU CG C 27.139 0.129 1 586 61 61 LEU CD1 C 26.467 0.129 2 587 61 61 LEU CD2 C 22.006 0.129 2 588 61 61 LEU N N 123.758 0.156 1 589 62 62 LEU H H 9.156 0.006 1 590 62 62 LEU HA H 4.355 0.006 1 591 62 62 LEU HB2 H 1.277 0.006 2 592 62 62 LEU HB3 H 1.829 0.006 2 593 62 62 LEU HG H 1.868 0.006 1 594 62 62 LEU HD1 H 1.250 0.006 2 595 62 62 LEU HD2 H 0.802 0.006 2 596 62 62 LEU CA C 53.992 0.129 1 597 62 62 LEU CB C 44.686 0.129 1 598 62 62 LEU CG C 26.016 0.129 1 599 62 62 LEU CD1 C 26.490 0.129 2 600 62 62 LEU CD2 C 23.454 0.129 2 601 62 62 LEU N N 124.052 0.156 1 602 63 63 ASP H H 7.779 0.006 1 603 63 63 ASP HA H 5.033 0.006 1 604 63 63 ASP HB2 H 2.823 0.006 2 605 63 63 ASP HB3 H 3.392 0.006 2 606 63 63 ASP CA C 51.101 0.129 1 607 63 63 ASP CB C 43.345 0.129 1 608 63 63 ASP N N 117.271 0.156 1 609 64 64 SER H H 8.910 0.006 1 610 64 64 SER HA H 3.865 0.006 1 611 64 64 SER HB2 H 3.855 0.006 2 612 64 64 SER HB3 H 3.804 0.006 2 613 64 64 SER CA C 60.910 0.129 1 614 64 64 SER CB C 62.378 0.129 1 615 64 64 SER N N 112.856 0.156 1 616 65 65 GLU H H 7.893 0.006 1 617 65 65 GLU HA H 4.018 0.006 1 618 65 65 GLU HB2 H 2.075 0.006 1 619 65 65 GLU HB3 H 2.075 0.006 1 620 65 65 GLU HG2 H 2.323 0.006 1 621 65 65 GLU HG3 H 2.323 0.006 1 622 65 65 GLU CA C 58.343 0.129 1 623 65 65 GLU CB C 28.887 0.129 1 624 65 65 GLU CG C 36.121 0.129 1 625 65 65 GLU N N 120.070 0.156 1 626 66 66 THR H H 7.992 0.006 1 627 66 66 THR HA H 3.991 0.006 1 628 66 66 THR HB H 4.099 0.006 1 629 66 66 THR HG2 H 1.248 0.006 1 630 66 66 THR CA C 65.804 0.129 1 631 66 66 THR CB C 68.451 0.129 1 632 66 66 THR CG2 C 21.895 0.129 1 633 66 66 THR N N 115.852 0.156 1 634 67 67 MET H H 6.751 0.006 1 635 67 67 MET HA H 4.267 0.006 1 636 67 67 MET HB2 H 1.966 0.006 1 637 67 67 MET HB3 H 1.966 0.006 1 638 67 67 MET HE H 1.305 0.006 1 639 67 67 MET CA C 52.135 0.129 1 640 67 67 MET CB C 28.963 0.129 1 641 67 67 MET CE C 14.720 0.129 1 642 67 67 MET N N 113.585 0.156 1 643 68 68 LYS H H 7.121 0.006 1 644 68 68 LYS HA H 4.370 0.006 1 645 68 68 LYS HB2 H 1.824 0.006 2 646 68 68 LYS HB3 H 1.789 0.006 2 647 68 68 LYS HG2 H 1.408 0.006 2 648 68 68 LYS HG3 H 1.513 0.006 2 649 68 68 LYS HD2 H 1.696 0.006 1 650 68 68 LYS HD3 H 1.696 0.006 1 651 68 68 LYS HE2 H 2.963 0.006 1 652 68 68 LYS HE3 H 2.963 0.006 1 653 68 68 LYS CA C 55.482 0.129 1 654 68 68 LYS CB C 34.179 0.129 1 655 68 68 LYS CG C 24.545 0.129 1 656 68 68 LYS CD C 29.573 0.129 1 657 68 68 LYS CE C 42.080 0.129 1 658 68 68 LYS N N 118.462 0.156 1 659 69 69 GLU H H 8.709 0.006 1 660 69 69 GLU HA H 4.524 0.006 1 661 69 69 GLU HB2 H 2.212 0.006 1 662 69 69 GLU HB3 H 2.212 0.006 1 663 69 69 GLU HG2 H 2.205 0.006 2 664 69 69 GLU HG3 H 2.708 0.006 2 665 69 69 GLU CA C 55.942 0.129 1 666 69 69 GLU CB C 30.424 0.129 1 667 69 69 GLU CG C 38.449 0.129 1 668 69 69 GLU N N 121.700 0.156 1 669 70 70 GLU H H 8.744 0.006 1 670 70 70 GLU HA H 4.697 0.006 1 671 70 70 GLU HB2 H 1.964 0.006 2 672 70 70 GLU HB3 H 2.130 0.006 2 673 70 70 GLU HG2 H 2.270 0.006 2 674 70 70 GLU HG3 H 2.345 0.006 2 675 70 70 GLU CA C 55.473 0.129 1 676 70 70 GLU CB C 33.162 0.129 1 677 70 70 GLU CG C 34.853 0.129 1 678 70 70 GLU N N 123.445 0.156 1 679 71 71 ARG H H 8.570 0.006 1 680 71 71 ARG HA H 5.151 0.006 1 681 71 71 ARG HB2 H 1.770 0.006 2 682 71 71 ARG HB3 H 1.701 0.006 2 683 71 71 ARG HG2 H 1.380 0.006 2 684 71 71 ARG HG3 H 1.464 0.006 2 685 71 71 ARG HD2 H 3.184 0.006 2 686 71 71 ARG HD3 H 3.204 0.006 2 687 71 71 ARG CA C 55.448 0.129 1 688 71 71 ARG CB C 31.703 0.129 1 689 71 71 ARG CG C 27.610 0.129 1 690 71 71 ARG CD C 43.230 0.129 1 691 71 71 ARG N N 122.150 0.156 1 692 72 72 ILE H H 9.376 0.006 1 693 72 72 ILE HA H 4.596 0.006 1 694 72 72 ILE HB H 1.936 0.006 1 695 72 72 ILE HG12 H 1.529 0.006 2 696 72 72 ILE HG13 H 1.166 0.006 2 697 72 72 ILE HG2 H 0.914 0.006 1 698 72 72 ILE HD1 H 0.836 0.006 1 699 72 72 ILE CA C 59.512 0.129 1 700 72 72 ILE CB C 41.095 0.129 1 701 72 72 ILE CG1 C 27.085 0.129 1 702 72 72 ILE CG2 C 17.338 0.129 1 703 72 72 ILE CD1 C 12.925 0.129 1 704 72 72 ILE N N 125.686 0.156 1 705 73 73 THR H H 8.705 0.006 1 706 73 73 THR HA H 4.603 0.006 1 707 73 73 THR HB H 4.147 0.006 1 708 73 73 THR HG2 H 1.206 0.006 1 709 73 73 THR CA C 61.937 0.129 1 710 73 73 THR CB C 68.669 0.129 1 711 73 73 THR CG2 C 21.357 0.129 1 712 73 73 THR N N 121.600 0.156 1 713 74 74 GLN H H 8.683 0.006 1 714 74 74 GLN HA H 4.581 0.006 1 715 74 74 GLN HB2 H 2.186 0.006 2 716 74 74 GLN HB3 H 2.336 0.006 2 717 74 74 GLN HG2 H 2.530 0.006 2 718 74 74 GLN HG3 H 2.396 0.006 2 719 74 74 GLN HE21 H 7.054 0.006 2 720 74 74 GLN HE22 H 6.845 0.006 2 721 74 74 GLN CA C 54.689 0.129 1 722 74 74 GLN CB C 29.490 0.129 1 723 74 74 GLN CG C 33.633 0.129 1 724 74 74 GLN N N 124.607 0.156 1 725 74 74 GLN NE2 N 110.273 0.156 1 726 75 75 GLU H H 8.937 0.006 1 727 75 75 GLU HA H 4.059 0.006 1 728 75 75 GLU HB2 H 2.083 0.006 1 729 75 75 GLU HB3 H 2.083 0.006 1 730 75 75 GLU HG2 H 2.336 0.006 1 731 75 75 GLU HG3 H 2.336 0.006 1 732 75 75 GLU CA C 58.845 0.129 1 733 75 75 GLU CB C 29.573 0.129 1 734 75 75 GLU CG C 36.063 0.129 1 735 75 75 GLU N N 122.962 0.156 1 736 76 76 GLU H H 8.569 0.006 1 737 76 76 GLU HA H 4.308 0.006 1 738 76 76 GLU HB2 H 2.039 0.006 2 739 76 76 GLU HB3 H 2.177 0.006 2 740 76 76 GLU HG2 H 2.285 0.006 1 741 76 76 GLU HG3 H 2.285 0.006 1 742 76 76 GLU CA C 56.777 0.129 1 743 76 76 GLU CB C 29.072 0.129 1 744 76 76 GLU CG C 36.219 0.129 1 745 76 76 GLU N N 115.466 0.156 1 746 77 77 GLY H H 7.920 0.006 1 747 77 77 GLY HA2 H 3.697 0.006 2 748 77 77 GLY HA3 H 4.222 0.006 2 749 77 77 GLY CA C 45.014 0.129 1 750 77 77 GLY N N 106.771 0.156 1 751 78 78 GLY H H 8.140 0.006 1 752 78 78 GLY HA2 H 4.049 0.006 1 753 78 78 GLY HA3 H 4.049 0.006 1 754 78 78 GLY CA C 44.707 0.129 1 755 78 78 GLY N N 108.535 0.156 1 756 79 79 ILE H H 8.621 0.006 1 757 79 79 ILE HA H 4.807 0.006 1 758 79 79 ILE HB H 1.820 0.006 1 759 79 79 ILE HG12 H 1.185 0.006 2 760 79 79 ILE HG13 H 1.646 0.006 2 761 79 79 ILE HG2 H 0.694 0.006 1 762 79 79 ILE HD1 H 0.881 0.006 1 763 79 79 ILE CA C 60.343 0.129 1 764 79 79 ILE CB C 39.220 0.129 1 765 79 79 ILE CG1 C 27.528 0.129 1 766 79 79 ILE CG2 C 17.523 0.129 1 767 79 79 ILE CD1 C 13.110 0.129 1 768 79 79 ILE N N 121.066 0.156 1 769 80 80 TYR H H 9.245 0.006 1 770 80 80 TYR HA H 4.264 0.006 1 771 80 80 TYR HB2 H 2.870 0.006 1 772 80 80 TYR HB3 H 2.289 0.006 1 773 80 80 TYR HD1 H 5.964 0.006 3 774 80 80 TYR HD2 H 5.964 0.006 3 775 80 80 TYR HE1 H 6.589 0.006 3 776 80 80 TYR HE2 H 6.589 0.006 3 777 80 80 TYR CA C 58.161 0.129 1 778 80 80 TYR CB C 40.621 0.129 1 779 80 80 TYR CD1 C 132.459 0.129 3 780 80 80 TYR CE1 C 117.589 0.129 3 781 80 80 TYR N N 130.709 0.156 1 782 81 81 VAL H H 8.179 0.006 1 783 81 81 VAL HA H 4.854 0.006 1 784 81 81 VAL HB H 1.819 0.006 1 785 81 81 VAL HG1 H 0.921 0.006 2 786 81 81 VAL HG2 H 0.842 0.006 2 787 81 81 VAL CA C 60.457 0.129 1 788 81 81 VAL CB C 35.004 0.129 1 789 81 81 VAL CG1 C 21.889 0.129 2 790 81 81 VAL CG2 C 20.939 0.129 2 791 81 81 VAL N N 126.965 0.156 1 792 82 82 SER H H 8.783 0.006 1 793 82 82 SER HA H 5.185 0.006 1 794 82 82 SER HB2 H 4.184 0.006 1 795 82 82 SER HB3 H 4.184 0.006 1 796 82 82 SER CA C 55.260 0.129 1 797 82 82 SER CB C 64.785 0.129 1 798 82 82 SER N N 120.914 0.156 1 799 83 83 LYS H H 8.389 0.006 1 800 83 83 LYS HA H 4.778 0.006 1 801 83 83 LYS HB2 H 1.777 0.006 2 802 83 83 LYS HB3 H 1.671 0.006 2 803 83 83 LYS HG2 H 1.130 0.006 2 804 83 83 LYS HG3 H 1.067 0.006 2 805 83 83 LYS HD2 H 1.494 0.006 2 806 83 83 LYS HD3 H 1.556 0.006 2 807 83 83 LYS HE3 H 2.855 0.006 2 808 83 83 LYS CA C 54.759 0.129 1 809 83 83 LYS CB C 35.514 0.129 1 810 83 83 LYS CG C 23.135 0.129 1 811 83 83 LYS CD C 29.080 0.129 1 812 83 83 LYS CE C 42.057 0.129 1 813 83 83 LYS N N 119.415 0.156 1 814 84 84 PHE H H 9.249 0.006 1 815 84 84 PHE HA H 5.441 0.006 1 816 84 84 PHE HB2 H 3.072 0.006 2 817 84 84 PHE HB3 H 2.836 0.006 2 818 84 84 PHE HD1 H 7.363 0.006 3 819 84 84 PHE HD2 H 7.363 0.006 3 820 84 84 PHE CA C 58.414 0.129 1 821 84 84 PHE CB C 37.523 0.129 1 822 84 84 PHE CD2 C 132.044 0.129 3 823 84 84 PHE N N 119.220 0.156 1 824 85 85 THR H H 8.374 0.006 1 825 85 85 THR HA H 4.057 0.006 1 826 85 85 THR HB H 4.153 0.006 1 827 85 85 THR HG2 H 1.135 0.006 1 828 85 85 THR CA C 62.660 0.129 1 829 85 85 THR CB C 67.698 0.129 1 830 85 85 THR CG2 C 23.127 0.129 1 831 85 85 THR N N 119.257 0.156 1 832 86 86 LEU H H 7.800 0.006 1 833 86 86 LEU HA H 4.598 0.006 1 834 86 86 LEU HB2 H 1.509 0.006 2 835 86 86 LEU HB3 H 1.650 0.006 2 836 86 86 LEU HG H 1.508 0.006 1 837 86 86 LEU HD1 H 0.446 0.006 2 838 86 86 LEU HD2 H 1.014 0.006 2 839 86 86 LEU CA C 55.245 0.129 1 840 86 86 LEU CB C 44.657 0.129 1 841 86 86 LEU CG C 27.690 0.129 1 842 86 86 LEU CD1 C 25.164 0.129 2 843 86 86 LEU CD2 C 23.755 0.129 2 844 86 86 LEU N N 121.612 0.156 1 845 87 87 ASN H H 9.675 0.006 1 846 87 87 ASN HA H 5.011 0.006 1 847 87 87 ASN HB2 H 3.120 0.006 2 848 87 87 ASN HB3 H 2.265 0.006 2 849 87 87 ASN HD21 H 7.611 0.006 2 850 87 87 ASN HD22 H 6.633 0.006 2 851 87 87 ASN CA C 51.299 0.129 1 852 87 87 ASN CB C 38.595 0.129 1 853 87 87 ASN N N 127.684 0.156 1 854 87 87 ASN ND2 N 109.717 0.156 1 855 88 88 GLU H H 7.728 0.006 1 856 88 88 GLU HA H 4.857 0.006 1 857 88 88 GLU HB2 H 2.468 0.006 1 858 88 88 GLU HB3 H 2.468 0.006 1 859 88 88 GLU HG2 H 2.441 0.006 2 860 88 88 GLU HG3 H 2.404 0.006 2 861 88 88 GLU CA C 54.382 0.129 1 862 88 88 GLU CB C 29.808 0.129 1 863 88 88 GLU CG C 36.310 0.129 1 864 88 88 GLU N N 120.509 0.156 1 865 89 89 PRO HA H 4.381 0.006 1 866 89 89 PRO HB2 H 2.506 0.006 2 867 89 89 PRO HB3 H 1.930 0.006 2 868 89 89 PRO HG2 H 2.202 0.006 2 869 89 89 PRO HG3 H 2.080 0.006 2 870 89 89 PRO HD2 H 3.883 0.006 2 871 89 89 PRO HD3 H 3.945 0.006 2 872 89 89 PRO CA C 65.898 0.129 1 873 89 89 PRO CB C 32.351 0.129 1 874 89 89 PRO CG C 27.530 0.129 1 875 89 89 PRO CD C 50.640 0.129 1 876 90 90 LYS H H 8.120 0.006 1 877 90 90 LYS HA H 4.684 0.006 1 878 90 90 LYS HB2 H 2.131 0.006 1 879 90 90 LYS HB3 H 2.131 0.006 1 880 90 90 LYS HG2 H 1.186 0.006 1 881 90 90 LYS HG3 H 1.186 0.006 1 882 90 90 LYS HE2 H 2.894 0.006 1 883 90 90 LYS HE3 H 2.894 0.006 1 884 90 90 LYS CA C 54.979 0.129 1 885 90 90 LYS CB C 32.994 0.129 1 886 90 90 LYS CG C 25.028 0.129 1 887 90 90 LYS CE C 42.019 0.129 1 888 90 90 LYS N N 107.288 0.156 1 889 91 91 HIS H H 7.308 0.006 1 890 91 91 HIS HA H 5.777 0.006 1 891 91 91 HIS HB2 H 3.185 0.006 2 892 91 91 HIS HB3 H 3.303 0.006 2 893 91 91 HIS HD2 H 7.724 0.006 1 894 91 91 HIS HE1 H 8.590 0.006 1 895 91 91 HIS CA C 53.705 0.129 1 896 91 91 HIS CB C 32.194 0.129 1 897 91 91 HIS CD2 C 117.689 0.129 1 898 91 91 HIS CE1 C 136.500 0.129 1 899 91 91 HIS N N 119.523 0.156 1 900 92 92 LYS H H 9.186 0.006 1 901 92 92 LYS HA H 5.129 0.006 1 902 92 92 LYS HB2 H 1.345 0.006 2 903 92 92 LYS HB3 H 1.798 0.006 2 904 92 92 LYS CA C 54.291 0.129 1 905 92 92 LYS CB C 37.479 0.129 1 906 92 92 LYS N N 122.527 0.156 1 907 93 93 ILE H H 9.350 0.006 1 908 93 93 ILE HA H 5.310 0.006 1 909 93 93 ILE HB H 1.766 0.006 1 910 93 93 ILE HG12 H 1.464 0.006 1 911 93 93 ILE HG13 H 1.464 0.006 1 912 93 93 ILE HG2 H 0.872 0.006 1 913 93 93 ILE HD1 H 0.802 0.006 1 914 93 93 ILE CA C 61.137 0.129 1 915 93 93 ILE CB C 41.088 0.129 1 916 93 93 ILE CG1 C 28.631 0.129 1 917 93 93 ILE CG2 C 17.475 0.129 1 918 93 93 ILE CD1 C 13.251 0.129 1 919 93 93 ILE N N 121.564 0.156 1 920 94 94 PHE H H 9.521 0.006 1 921 94 94 PHE HA H 4.900 0.006 1 922 94 94 PHE HD1 H 5.918 0.006 3 923 94 94 PHE HD2 H 5.918 0.006 3 924 94 94 PHE HE1 H 6.893 0.006 1 925 94 94 PHE HE2 H 6.893 0.006 1 926 94 94 PHE HZ H 7.495 0.006 1 927 94 94 PHE CA C 55.843 0.129 1 928 94 94 PHE CD2 C 130.777 0.129 3 929 94 94 PHE CE2 C 130.784 0.129 3 930 94 94 PHE CZ C 131.287 0.129 1 931 94 94 PHE N N 128.955 0.156 1 932 95 95 GLU H H 8.616 0.006 1 933 95 95 GLU HA H 5.418 0.006 1 934 95 95 GLU HB2 H 1.919 0.006 2 935 95 95 GLU HB3 H 1.769 0.006 2 936 95 95 GLU HG2 H 2.328 0.006 2 937 95 95 GLU HG3 H 2.169 0.006 2 938 95 95 GLU CA C 54.481 0.129 1 939 95 95 GLU CB C 35.160 0.129 1 940 95 95 GLU CG C 38.331 0.129 1 941 95 95 GLU N N 124.809 0.156 1 942 96 96 ALA H H 8.926 0.006 1 943 96 96 ALA HA H 5.379 0.006 1 944 96 96 ALA HB H 1.447 0.006 1 945 96 96 ALA CA C 49.541 0.129 1 946 96 96 ALA CB C 23.830 0.129 1 947 96 96 ALA N N 123.759 0.156 1 948 97 97 GLY H H 7.763 0.006 1 949 97 97 GLY HA2 H 4.194 0.006 2 950 97 97 GLY HA3 H 3.802 0.006 2 951 97 97 GLY CA C 45.435 0.129 1 952 97 97 GLY N N 106.592 0.156 1 953 98 98 TYR H H 9.086 0.006 1 954 98 98 TYR HA H 4.818 0.006 1 955 98 98 TYR HB2 H 3.110 0.006 2 956 98 98 TYR HB3 H 2.793 0.006 2 957 98 98 TYR HD1 H 7.291 0.006 3 958 98 98 TYR HD2 H 7.291 0.006 3 959 98 98 TYR HE1 H 6.885 0.006 3 960 98 98 TYR HE2 H 6.885 0.006 3 961 98 98 TYR CA C 59.387 0.129 1 962 98 98 TYR CB C 38.122 0.129 1 963 98 98 TYR CD2 C 133.216 0.129 3 964 98 98 TYR CE2 C 118.317 0.129 3 965 98 98 TYR N N 119.250 0.156 1 966 99 99 GLU H H 8.937 0.006 1 967 99 99 GLU HA H 4.009 0.006 1 968 99 99 GLU HB2 H 1.968 0.006 2 969 99 99 GLU HB3 H 2.093 0.006 2 970 99 99 GLU HG2 H 2.296 0.006 1 971 99 99 GLU HG3 H 2.296 0.006 1 972 99 99 GLU CA C 58.409 0.129 1 973 99 99 GLU CB C 30.254 0.129 1 974 99 99 GLU CG C 36.832 0.129 1 975 99 99 GLU N N 123.080 0.156 1 976 100 100 GLU H H 8.929 0.006 1 977 100 100 GLU HA H 4.036 0.006 1 978 100 100 GLU HB2 H 2.333 0.006 2 979 100 100 GLU HB3 H 2.209 0.006 2 980 100 100 GLU HG2 H 2.243 0.006 1 981 100 100 GLU HG3 H 2.243 0.006 1 982 100 100 GLU CA C 57.404 0.129 1 983 100 100 GLU CB C 27.576 0.129 1 984 100 100 GLU CG C 36.825 0.129 1 985 100 100 GLU N N 116.459 0.156 1 986 101 101 SER H H 7.698 0.006 1 987 101 101 SER HA H 4.839 0.006 1 988 101 101 SER HB2 H 3.768 0.006 2 989 101 101 SER HB3 H 3.955 0.006 2 990 101 101 SER CA C 56.024 0.129 1 991 101 101 SER CB C 64.806 0.129 1 992 101 101 SER N N 113.069 0.156 1 993 102 102 GLU H H 8.281 0.006 1 994 102 102 GLU HA H 4.389 0.006 1 995 102 102 GLU HB2 H 2.016 0.006 2 996 102 102 GLU HB3 H 2.147 0.006 2 997 102 102 GLU HG2 H 2.393 0.006 2 998 102 102 GLU HG3 H 2.455 0.006 2 999 102 102 GLU CA C 55.804 0.129 1 1000 102 102 GLU CB C 29.985 0.129 1 1001 102 102 GLU CG C 35.925 0.129 1 1002 102 102 GLU N N 120.439 0.156 1 1003 103 103 VAL H H 8.299 0.006 1 1004 103 103 VAL HA H 4.086 0.006 1 1005 103 103 VAL HB H 2.254 0.006 1 1006 103 103 VAL HG1 H 0.904 0.006 2 1007 103 103 VAL HG2 H 0.992 0.006 2 1008 103 103 VAL CA C 62.699 0.129 1 1009 103 103 VAL CB C 32.261 0.129 1 1010 103 103 VAL CG1 C 20.001 0.129 2 1011 103 103 VAL CG2 C 21.818 0.129 2 1012 103 103 VAL N N 118.899 0.156 1 1013 104 104 ASP H H 9.295 0.006 1 1014 104 104 ASP HA H 5.003 0.006 1 1015 104 104 ASP HB2 H 2.679 0.006 2 1016 104 104 ASP HB3 H 2.823 0.006 2 1017 104 104 ASP CA C 54.914 0.129 1 1018 104 104 ASP CB C 42.791 0.129 1 1019 104 104 ASP N N 120.965 0.156 1 1020 105 105 LEU H H 7.959 0.006 1 1021 105 105 LEU HA H 5.295 0.006 1 1022 105 105 LEU HB2 H 1.818 0.006 2 1023 105 105 LEU HB3 H 1.677 0.006 2 1024 105 105 LEU HG H 1.569 0.006 1 1025 105 105 LEU HD1 H 1.056 0.006 2 1026 105 105 LEU HD2 H 0.992 0.006 2 1027 105 105 LEU CA C 54.431 0.129 1 1028 105 105 LEU CB C 46.001 0.129 1 1029 105 105 LEU CG C 28.205 0.129 1 1030 105 105 LEU CD1 C 22.492 0.129 2 1031 105 105 LEU CD2 C 26.391 0.129 2 1032 105 105 LEU N N 120.365 0.156 1 1033 106 106 ARG H H 9.740 0.006 1 1034 106 106 ARG HA H 5.825 0.006 1 1035 106 106 ARG HB2 H 1.896 0.006 1 1036 106 106 ARG HB3 H 1.896 0.006 1 1037 106 106 ARG HG2 H 1.641 0.006 1 1038 106 106 ARG HG3 H 1.641 0.006 1 1039 106 106 ARG HD2 H 3.294 0.006 1 1040 106 106 ARG HD3 H 3.294 0.006 1 1041 106 106 ARG CA C 54.672 0.129 1 1042 106 106 ARG CB C 33.920 0.129 1 1043 106 106 ARG CG C 28.609 0.129 1 1044 106 106 ARG CD C 43.171 0.129 1 1045 106 106 ARG N N 126.289 0.156 1 1046 107 107 VAL H H 9.879 0.006 1 1047 107 107 VAL HA H 4.679 0.006 1 1048 107 107 VAL HB H 2.055 0.006 1 1049 107 107 VAL HG1 H 0.649 0.006 2 1050 107 107 VAL HG2 H 1.167 0.006 2 1051 107 107 VAL CA C 61.671 0.129 1 1052 107 107 VAL CB C 35.350 0.129 1 1053 107 107 VAL CG1 C 23.864 0.129 2 1054 107 107 VAL CG2 C 21.498 0.129 2 1055 107 107 VAL N N 126.145 0.156 1 1056 108 108 GLU H H 8.473 0.006 1 1057 108 108 GLU HA H 5.267 0.006 1 1058 108 108 GLU HB2 H 2.176 0.006 2 1059 108 108 GLU HB3 H 2.158 0.006 2 1060 108 108 GLU CA C 54.761 0.129 1 1061 108 108 GLU CB C 32.567 0.129 1 1062 108 108 GLU N N 127.093 0.156 1 1063 109 109 PHE H H 10.045 0.006 1 1064 109 109 PHE HA H 6.028 0.006 1 1065 109 109 PHE HB2 H 3.371 0.006 2 1066 109 109 PHE HB3 H 3.123 0.006 2 1067 109 109 PHE HD1 H 7.231 0.006 3 1068 109 109 PHE HD2 H 7.231 0.006 3 1069 109 109 PHE HE1 H 6.879 0.006 3 1070 109 109 PHE HE2 H 6.879 0.006 3 1071 109 109 PHE CA C 55.945 0.129 1 1072 109 109 PHE CB C 43.099 0.129 1 1073 109 109 PHE CD1 C 132.804 0.129 3 1074 109 109 PHE CE2 C 130.794 0.129 3 1075 109 109 PHE N N 124.592 0.156 1 1076 110 110 GLU H H 9.842 0.006 1 1077 110 110 GLU HA H 5.193 0.006 1 1078 110 110 GLU HB2 H 2.015 0.006 2 1079 110 110 GLU HB3 H 1.896 0.006 2 1080 110 110 GLU HG2 H 2.057 0.006 2 1081 110 110 GLU HG3 H 2.184 0.006 2 1082 110 110 GLU CA C 55.443 0.129 1 1083 110 110 GLU CB C 35.816 0.129 1 1084 110 110 GLU CG C 36.971 0.129 1 1085 110 110 GLU N N 122.143 0.156 1 1086 111 111 LEU H H 7.466 0.006 1 1087 111 111 LEU HA H 3.808 0.006 1 1088 111 111 LEU HB2 H -0.986 0.006 2 1089 111 111 LEU HB3 H 1.050 0.006 2 1090 111 111 LEU HG H 0.760 0.006 1 1091 111 111 LEU HD1 H -0.097 0.006 2 1092 111 111 LEU HD2 H 0.527 0.006 2 1093 111 111 LEU CA C 53.470 0.129 1 1094 111 111 LEU CB C 40.400 0.129 1 1095 111 111 LEU CG C 26.397 0.129 1 1096 111 111 LEU CD1 C 22.488 0.129 2 1097 111 111 LEU CD2 C 25.736 0.129 2 1098 111 111 LEU N N 129.616 0.156 1 1099 112 112 GLN H H 8.236 0.006 1 1100 112 112 GLN HA H 4.439 0.006 1 1101 112 112 GLN HB2 H 2.313 0.006 1 1102 112 112 GLN HB3 H 2.313 0.006 1 1103 112 112 GLN HG2 H 2.473 0.006 2 1104 112 112 GLN HG3 H 2.327 0.006 2 1105 112 112 GLN HE21 H 7.095 0.006 2 1106 112 112 GLN HE22 H 6.566 0.006 2 1107 112 112 GLN CA C 55.802 0.129 1 1108 112 112 GLN CB C 28.753 0.129 1 1109 112 112 GLN CG C 35.696 0.129 1 1110 112 112 GLN N N 124.742 0.156 1 1111 112 112 GLN NE2 N 108.953 0.156 1 1112 113 113 ALA H H 8.364 0.006 1 1113 113 113 ALA HA H 4.048 0.006 1 1114 113 113 ALA HB H 1.438 0.006 1 1115 113 113 ALA CA C 54.518 0.129 1 1116 113 113 ALA CB C 18.199 0.129 1 1117 113 113 ALA N N 121.195 0.156 1 1118 114 114 ASP H H 8.084 0.006 1 1119 114 114 ASP HA H 4.399 0.006 1 1120 114 114 ASP HB2 H 3.003 0.006 2 1121 114 114 ASP HB3 H 2.627 0.006 2 1122 114 114 ASP CA C 52.908 0.129 1 1123 114 114 ASP CB C 39.058 0.129 1 1124 114 114 ASP N N 114.525 0.156 1 1125 115 115 GLY H H 8.595 0.006 1 1126 115 115 GLY HA2 H 3.552 0.006 2 1127 115 115 GLY HA3 H 4.085 0.006 2 1128 115 115 GLY CA C 45.784 0.129 1 1129 115 115 GLY N N 107.526 0.156 1 1130 116 116 LYS H H 7.474 0.006 1 1131 116 116 LYS HA H 4.450 0.006 1 1132 116 116 LYS HB2 H 1.294 0.006 1 1133 116 116 LYS HB3 H 1.294 0.006 1 1134 116 116 LYS HG2 H 1.122 0.006 1 1135 116 116 LYS HG3 H 1.122 0.006 1 1136 116 116 LYS CA C 54.171 0.129 1 1137 116 116 LYS CB C 35.039 0.129 1 1138 116 116 LYS CG C 25.584 0.129 1 1139 116 116 LYS N N 118.818 0.156 1 1140 117 117 TRP H H 7.542 0.006 1 1141 117 117 TRP HD1 H 7.056 0.006 1 1142 117 117 TRP HE1 H 9.655 0.006 1 1143 117 117 TRP HZ2 H 7.607 0.006 1 1144 117 117 TRP CA C 56.956 0.129 1 1145 117 117 TRP CD1 C 127.560 0.129 1 1146 117 117 TRP CZ2 C 115.604 0.129 1 1147 117 117 TRP N N 118.939 0.156 1 1148 117 117 TRP NE1 N 125.724 0.156 1 1149 118 118 TYR H H 8.510 0.006 1 1150 118 118 TYR HA H 5.277 0.006 1 1151 118 118 TYR HB2 H 2.662 0.006 2 1152 118 118 TYR HB3 H 2.378 0.006 2 1153 118 118 TYR HD1 H 6.817 0.006 3 1154 118 118 TYR HD2 H 6.817 0.006 3 1155 118 118 TYR HE1 H 7.223 0.006 3 1156 118 118 TYR HE2 H 7.223 0.006 3 1157 118 118 TYR CA C 56.219 0.129 1 1158 118 118 TYR CB C 43.282 0.129 1 1159 118 118 TYR CD2 C 133.223 0.129 3 1160 118 118 TYR CE2 C 118.430 0.129 3 1161 118 118 TYR N N 112.644 0.156 1 1162 119 119 VAL H H 9.247 0.006 1 1163 119 119 VAL HA H 4.515 0.006 1 1164 119 119 VAL HG1 H 0.810 0.006 2 1165 119 119 VAL HG2 H 0.732 0.006 2 1166 119 119 VAL CA C 62.442 0.129 1 1167 119 119 VAL CG1 C 21.737 0.129 2 1168 119 119 VAL CG2 C 24.675 0.129 2 1169 119 119 VAL N N 119.842 0.156 1 1170 120 120 VAL H H 8.485 0.006 1 1171 120 120 VAL HA H 4.738 0.006 1 1172 120 120 VAL HB H 2.271 0.006 1 1173 120 120 VAL HG1 H 0.880 0.006 2 1174 120 120 VAL HG2 H 0.777 0.006 2 1175 120 120 VAL CA C 59.595 0.129 1 1176 120 120 VAL CB C 32.852 0.129 1 1177 120 120 VAL CG1 C 21.736 0.129 2 1178 120 120 VAL CG2 C 17.454 0.129 2 1179 120 120 VAL N N 114.552 0.156 1 1180 121 121 ASP H H 7.895 0.006 1 1181 121 121 ASP HA H 5.263 0.006 1 1182 121 121 ASP HB2 H 2.663 0.006 2 1183 121 121 ASP HB3 H 2.869 0.006 2 1184 121 121 ASP CA C 53.663 0.129 1 1185 121 121 ASP CB C 43.887 0.129 1 1186 121 121 ASP N N 118.234 0.156 1 1187 122 122 CYS H H 8.536 0.006 1 1188 122 122 CYS HA H 5.571 0.006 1 1189 122 122 CYS HB2 H 3.307 0.006 2 1190 122 122 CYS HB3 H 2.633 0.006 2 1191 122 122 CYS CA C 57.052 0.129 1 1192 122 122 CYS CB C 30.834 0.129 1 1193 122 122 CYS N N 121.036 0.156 1 1194 123 123 TYR H H 9.338 0.006 1 1195 123 123 TYR HA H 5.010 0.006 1 1196 123 123 TYR HB2 H 3.378 0.006 2 1197 123 123 TYR HB3 H 2.748 0.006 2 1198 123 123 TYR HD1 H 7.041 0.006 3 1199 123 123 TYR HD2 H 7.041 0.006 3 1200 123 123 TYR HE1 H 6.816 0.006 3 1201 123 123 TYR HE2 H 6.816 0.006 3 1202 123 123 TYR CA C 57.169 0.129 1 1203 123 123 TYR CB C 41.408 0.129 1 1204 123 123 TYR CD1 C 132.887 0.129 3 1205 123 123 TYR CE1 C 118.370 0.129 3 1206 123 123 TYR N N 127.672 0.156 1 1207 124 124 THR H H 8.641 0.006 1 1208 124 124 THR HA H 4.987 0.006 1 1209 124 124 THR HB H 4.060 0.006 1 1210 124 124 THR HG2 H 1.479 0.006 1 1211 124 124 THR CA C 57.153 0.129 1 1212 124 124 THR CB C 68.607 0.129 1 1213 124 124 THR CG2 C 20.947 0.129 1 1214 124 124 THR N N 120.833 0.156 1 1215 125 125 GLY H H 8.527 0.006 1 1216 125 125 GLY HA2 H 4.008 0.006 2 1217 125 125 GLY HA3 H 3.782 0.006 2 1218 125 125 GLY CA C 46.328 0.129 1 1219 125 125 GLY N N 114.347 0.156 1 1220 126 126 TRP H H 7.612 0.006 1 1221 126 126 TRP HA H 4.070 0.006 1 1222 126 126 TRP HB2 H 2.218 0.006 2 1223 126 126 TRP HB3 H 2.134 0.006 2 1224 126 126 TRP HD1 H 7.156 0.006 1 1225 126 126 TRP HE1 H 10.022 0.006 1 1226 126 126 TRP HE3 H 7.382 0.006 1 1227 126 126 TRP HZ2 H 7.362 0.006 1 1228 126 126 TRP HZ3 H 7.095 0.006 1 1229 126 126 TRP HH2 H 7.063 0.006 1 1230 126 126 TRP CA C 60.564 0.129 1 1231 126 126 TRP CB C 29.639 0.129 1 1232 126 126 TRP CD1 C 126.614 0.129 1 1233 126 126 TRP CE3 C 120.840 0.129 1 1234 126 126 TRP CZ2 C 114.097 0.129 1 1235 126 126 TRP CZ3 C 121.386 0.129 1 1236 126 126 TRP N N 119.918 0.156 1 1237 126 126 TRP NE1 N 126.794 0.156 1 1238 127 127 TYR H H 7.441 0.006 1 1239 127 127 TYR HA H 4.994 0.006 1 1240 127 127 TYR HB2 H 2.945 0.006 1 1241 127 127 TYR HB3 H 2.945 0.006 1 1242 127 127 TYR HD1 H 6.646 0.006 3 1243 127 127 TYR HD2 H 6.646 0.006 3 1244 127 127 TYR HE1 H 6.373 0.006 3 1245 127 127 TYR HE2 H 6.373 0.006 3 1246 127 127 TYR CA C 53.384 0.129 1 1247 127 127 TYR CB C 38.584 0.129 1 1248 127 127 TYR CD1 C 132.860 0.129 3 1249 127 127 TYR CE1 C 116.290 0.129 3 1250 127 127 TYR N N 113.911 0.156 1 1251 128 128 GLY H H 7.230 0.006 1 1252 128 128 GLY HA2 H 3.898 0.006 2 1253 128 128 GLY HA3 H 4.332 0.006 2 1254 128 128 GLY CA C 45.189 0.129 1 1255 128 128 GLY N N 105.181 0.156 1 1256 129 129 TYR H H 8.049 0.006 1 1257 129 129 TYR HA H 4.664 0.006 1 1258 129 129 TYR HB2 H 3.138 0.006 2 1259 129 129 TYR HB3 H 3.086 0.006 2 1260 129 129 TYR HD1 H 7.256 0.006 3 1261 129 129 TYR HD2 H 7.256 0.006 3 1262 129 129 TYR HE1 H 6.805 0.006 3 1263 129 129 TYR HE2 H 6.805 0.006 3 1264 129 129 TYR CA C 59.565 0.129 1 1265 129 129 TYR CB C 38.853 0.129 1 1266 129 129 TYR CD2 C 133.022 0.129 3 1267 129 129 TYR CE2 C 118.495 0.129 3 1268 129 129 TYR N N 116.588 0.156 1 1269 130 130 ASP H H 8.294 0.006 1 1270 130 130 ASP HA H 4.385 0.006 1 1271 130 130 ASP HB2 H 2.749 0.006 2 1272 130 130 ASP HB3 H 2.848 0.006 2 1273 130 130 ASP CA C 53.130 0.129 1 1274 130 130 ASP CB C 38.685 0.129 1 1275 130 130 ASP N N 115.195 0.156 1 1276 131 131 LEU H H 7.917 0.006 1 1277 131 131 LEU HA H 4.481 0.006 1 1278 131 131 LEU HB2 H 1.640 0.006 2 1279 131 131 LEU HB3 H 2.134 0.006 2 1280 131 131 LEU HG H 1.359 0.006 1 1281 131 131 LEU HD1 H 1.043 0.006 2 1282 131 131 LEU HD2 H 1.100 0.006 2 1283 131 131 LEU CA C 53.605 0.129 1 1284 131 131 LEU CB C 42.441 0.129 1 1285 131 131 LEU CG C 25.052 0.129 1 1286 131 131 LEU CD1 C 24.544 0.129 2 1287 131 131 LEU CD2 C 26.170 0.129 2 1288 131 131 LEU N N 124.887 0.156 1 1289 132 132 PRO HA H 4.683 0.006 1 1290 132 132 PRO HB2 H 2.499 0.006 2 1291 132 132 PRO HB3 H 1.786 0.006 2 1292 132 132 PRO HG2 H 1.992 0.006 2 1293 132 132 PRO HG3 H 2.121 0.006 2 1294 132 132 PRO HD2 H 3.525 0.006 2 1295 132 132 PRO HD3 H 4.315 0.006 2 1296 132 132 PRO CB C 32.327 0.129 1 1297 132 132 PRO CG C 28.220 0.129 1 1298 132 132 PRO CD C 51.003 0.129 1 1299 133 133 ILE H H 8.939 0.006 1 1300 133 133 ILE HA H 3.729 0.006 1 1301 133 133 ILE HB H 1.887 0.006 1 1302 133 133 ILE HG12 H 1.263 0.006 2 1303 133 133 ILE HG13 H 1.679 0.006 2 1304 133 133 ILE HG2 H 1.064 0.006 1 1305 133 133 ILE HD1 H 1.031 0.006 1 1306 133 133 ILE CA C 64.860 0.129 1 1307 133 133 ILE CB C 38.063 0.129 1 1308 133 133 ILE CG1 C 29.784 0.129 1 1309 133 133 ILE CG2 C 17.018 0.129 1 1310 133 133 ILE CD1 C 14.754 0.129 1 1311 133 133 ILE N N 123.765 0.156 1 1312 134 134 GLY H H 9.000 0.006 1 1313 134 134 GLY HA2 H 3.974 0.006 2 1314 134 134 GLY HA3 H 4.030 0.006 2 1315 134 134 GLY CA C 45.976 0.129 1 1316 134 134 GLY N N 107.030 0.156 1 1317 135 135 GLU H H 8.035 0.006 1 1318 135 135 GLU HA H 4.664 0.006 1 1319 135 135 GLU HB2 H 1.957 0.006 2 1320 135 135 GLU HB3 H 2.413 0.006 2 1321 135 135 GLU HG2 H 2.247 0.006 2 1322 135 135 GLU HG3 H 2.355 0.006 2 1323 135 135 GLU CA C 55.414 0.129 1 1324 135 135 GLU CB C 30.195 0.129 1 1325 135 135 GLU CG C 35.929 0.129 1 1326 135 135 GLU N N 116.566 0.156 1 1327 136 136 LEU H H 7.803 0.006 1 1328 136 136 LEU HA H 4.044 0.006 1 1329 136 136 LEU HB2 H 1.810 0.006 2 1330 136 136 LEU HB3 H 1.319 0.006 2 1331 136 136 LEU HG H 1.362 0.006 1 1332 136 136 LEU HD1 H 0.143 0.006 2 1333 136 136 LEU HD2 H 0.700 0.006 2 1334 136 136 LEU CA C 59.116 0.129 1 1335 136 136 LEU CB C 41.007 0.129 1 1336 136 136 LEU CG C 26.195 0.129 1 1337 136 136 LEU CD1 C 24.634 0.129 2 1338 136 136 LEU CD2 C 22.935 0.129 2 1339 136 136 LEU N N 124.239 0.156 1 1340 137 137 LYS H H 8.498 0.006 1 1341 137 137 LYS HA H 3.863 0.006 1 1342 137 137 LYS HB2 H 1.865 0.006 1 1343 137 137 LYS HB3 H 1.865 0.006 1 1344 137 137 LYS HG2 H 1.521 0.006 2 1345 137 137 LYS HG3 H 1.354 0.006 2 1346 137 137 LYS HD2 H 1.701 0.006 1 1347 137 137 LYS HD3 H 1.701 0.006 1 1348 137 137 LYS HE2 H 2.998 0.006 1 1349 137 137 LYS HE3 H 2.998 0.006 1 1350 137 137 LYS CA C 60.455 0.129 1 1351 137 137 LYS CB C 31.203 0.129 1 1352 137 137 LYS CG C 25.028 0.129 1 1353 137 137 LYS CD C 29.341 0.129 1 1354 137 137 LYS CE C 41.990 0.129 1 1355 137 137 LYS N N 117.225 0.156 1 1356 138 138 GLN H H 8.488 0.006 1 1357 138 138 GLN HA H 4.052 0.006 1 1358 138 138 GLN HB2 H 2.109 0.006 2 1359 138 138 GLN HB3 H 2.251 0.006 2 1360 138 138 GLN HG2 H 2.380 0.006 2 1361 138 138 GLN HG3 H 2.554 0.006 2 1362 138 138 GLN HE21 H 6.924 0.006 2 1363 138 138 GLN HE22 H 7.506 0.006 2 1364 138 138 GLN CA C 57.875 0.129 1 1365 138 138 GLN CB C 28.235 0.129 1 1366 138 138 GLN CG C 33.775 0.129 1 1367 138 138 GLN N N 118.718 0.156 1 1368 138 138 GLN NE2 N 112.826 0.156 1 1369 139 139 THR H H 8.186 0.006 1 1370 139 139 THR HA H 4.532 0.006 1 1371 139 139 THR HB H 4.049 0.006 1 1372 139 139 THR HG2 H 1.427 0.006 1 1373 139 139 THR CA C 68.145 0.129 1 1374 139 139 THR CB C 68.103 0.129 1 1375 139 139 THR CG2 C 22.053 0.129 1 1376 139 139 THR N N 117.970 0.156 1 1377 140 140 ILE H H 8.480 0.006 1 1378 140 140 ILE HA H 3.727 0.006 1 1379 140 140 ILE HB H 1.876 0.006 1 1380 140 140 ILE HG12 H 1.078 0.006 2 1381 140 140 ILE HG13 H 1.938 0.006 2 1382 140 140 ILE HG2 H 0.863 0.006 1 1383 140 140 ILE HD1 H 0.713 0.006 1 1384 140 140 ILE CA C 65.256 0.129 1 1385 140 140 ILE CB C 38.113 0.129 1 1386 140 140 ILE CG1 C 29.411 0.129 1 1387 140 140 ILE CG2 C 17.250 0.129 1 1388 140 140 ILE CD1 C 14.468 0.129 1 1389 140 140 ILE N N 120.391 0.156 1 1390 141 141 GLN H H 7.689 0.006 1 1391 141 141 GLN HA H 4.015 0.006 1 1392 141 141 GLN HB2 H 2.215 0.006 1 1393 141 141 GLN HB3 H 2.215 0.006 1 1394 141 141 GLN HG2 H 2.488 0.006 2 1395 141 141 GLN HG3 H 2.433 0.006 2 1396 141 141 GLN HE21 H 6.879 0.006 2 1397 141 141 GLN HE22 H 7.825 0.006 2 1398 141 141 GLN CA C 58.371 0.129 1 1399 141 141 GLN CB C 27.347 0.129 1 1400 141 141 GLN CG C 33.253 0.129 1 1401 141 141 GLN N N 118.917 0.156 1 1402 141 141 GLN NE2 N 111.765 0.156 1 1403 142 142 ASN H H 8.325 0.006 1 1404 142 142 ASN HA H 4.515 0.006 1 1405 142 142 ASN HB2 H 3.076 0.006 1 1406 142 142 ASN HB3 H 3.258 0.006 1 1407 142 142 ASN HD21 H 7.117 0.006 2 1408 142 142 ASN HD22 H 7.648 0.006 2 1409 142 142 ASN CA C 55.799 0.129 1 1410 142 142 ASN CB C 37.630 0.129 1 1411 142 142 ASN N N 119.936 0.156 1 1412 142 142 ASN ND2 N 109.969 0.156 1 1413 143 143 VAL H H 8.285 0.006 1 1414 143 143 VAL HA H 2.716 0.006 1 1415 143 143 VAL HB H 1.872 0.006 1 1416 143 143 VAL HG1 H -0.368 0.006 2 1417 143 143 VAL HG2 H 0.340 0.006 2 1418 143 143 VAL CA C 66.497 0.129 1 1419 143 143 VAL CB C 30.989 0.129 1 1420 143 143 VAL CG1 C 21.096 0.129 2 1421 143 143 VAL CG2 C 20.106 0.129 2 1422 143 143 VAL N N 123.195 0.156 1 1423 144 144 LYS H H 8.311 0.006 1 1424 144 144 LYS HA H 3.881 0.006 1 1425 144 144 LYS HB2 H 2.049 0.006 2 1426 144 144 LYS HB3 H 2.103 0.006 2 1427 144 144 LYS HG2 H 1.598 0.006 2 1428 144 144 LYS HG3 H 1.404 0.006 2 1429 144 144 LYS HD2 H 1.699 0.006 1 1430 144 144 LYS HD3 H 1.699 0.006 1 1431 144 144 LYS HE2 H 2.963 0.006 1 1432 144 144 LYS HE3 H 2.963 0.006 1 1433 144 144 LYS CA C 60.123 0.129 1 1434 144 144 LYS CB C 31.882 0.129 1 1435 144 144 LYS CG C 25.065 0.129 1 1436 144 144 LYS CD C 29.790 0.129 1 1437 144 144 LYS CE C 41.968 0.129 1 1438 144 144 LYS N N 120.348 0.156 1 1439 145 145 GLU H H 8.095 0.006 1 1440 145 145 GLU HA H 4.183 0.006 1 1441 145 145 GLU HB2 H 2.258 0.006 2 1442 145 145 GLU HB3 H 2.202 0.006 2 1443 145 145 GLU HG2 H 2.396 0.006 2 1444 145 145 GLU HG3 H 2.583 0.006 2 1445 145 145 GLU CA C 59.178 0.129 1 1446 145 145 GLU CB C 29.071 0.129 1 1447 145 145 GLU CG C 36.092 0.129 1 1448 145 145 GLU N N 119.220 0.156 1 1449 146 146 GLU H H 8.107 0.006 1 1450 146 146 GLU HA H 4.277 0.006 1 1451 146 146 GLU HB2 H 2.246 0.006 2 1452 146 146 GLU HB3 H 2.126 0.006 2 1453 146 146 GLU HG2 H 2.526 0.006 2 1454 146 146 GLU HG3 H 2.603 0.006 2 1455 146 146 GLU CA C 59.118 0.129 1 1456 146 146 GLU CB C 28.342 0.129 1 1457 146 146 GLU CG C 35.486 0.129 1 1458 146 146 GLU N N 121.420 0.156 1 1459 147 147 ASN H H 9.107 0.006 1 1460 147 147 ASN HA H 4.568 0.006 1 1461 147 147 ASN HB2 H 2.734 0.006 2 1462 147 147 ASN HB3 H 3.196 0.006 2 1463 147 147 ASN HD21 H 7.774 0.006 2 1464 147 147 ASN HD22 H 7.298 0.006 2 1465 147 147 ASN CA C 54.151 0.129 1 1466 147 147 ASN CB C 37.373 0.129 1 1467 147 147 ASN N N 119.197 0.156 1 1468 147 147 ASN ND2 N 109.518 0.156 1 1469 148 148 ALA H H 8.347 0.006 1 1470 148 148 ALA HA H 4.123 0.006 1 1471 148 148 ALA HB H 1.617 0.006 1 1472 148 148 ALA CA C 55.133 0.129 1 1473 148 148 ALA CB C 17.607 0.129 1 1474 148 148 ALA N N 123.672 0.156 1 1475 149 149 ALA H H 7.330 0.006 1 1476 149 149 ALA HA H 4.261 0.006 1 1477 149 149 ALA HB H 1.625 0.006 1 1478 149 149 ALA CA C 54.645 0.129 1 1479 149 149 ALA CB C 17.738 0.129 1 1480 149 149 ALA N N 119.979 0.156 1 1481 150 150 PHE H H 7.994 0.006 1 1482 150 150 PHE HA H 4.224 0.006 1 1483 150 150 PHE HB2 H 3.521 0.006 2 1484 150 150 PHE HB3 H 3.307 0.006 2 1485 150 150 PHE HD1 H 7.179 0.006 3 1486 150 150 PHE HD2 H 7.179 0.006 3 1487 150 150 PHE HE1 H 6.959 0.006 3 1488 150 150 PHE HE2 H 6.959 0.006 3 1489 150 150 PHE CA C 61.008 0.129 1 1490 150 150 PHE CB C 39.062 0.129 1 1491 150 150 PHE CD1 C 132.435 0.129 3 1492 150 150 PHE CE1 C 130.641 0.129 3 1493 150 150 PHE N N 119.592 0.156 1 1494 151 151 LYS H H 8.803 0.006 1 1495 151 151 LYS HA H 3.906 0.006 1 1496 151 151 LYS HB2 H 1.992 0.006 1 1497 151 151 LYS HB3 H 1.992 0.006 1 1498 151 151 LYS HG2 H 1.806 0.006 2 1499 151 151 LYS HG3 H 1.629 0.006 2 1500 151 151 LYS HD2 H 1.819 0.006 2 1501 151 151 LYS HD3 H 1.842 0.006 2 1502 151 151 LYS HE3 H 3.082 0.006 2 1503 151 151 LYS CA C 58.770 0.129 1 1504 151 151 LYS CB C 32.741 0.129 1 1505 151 151 LYS CG C 25.802 0.129 1 1506 151 151 LYS CD C 29.833 0.129 1 1507 151 151 LYS CE C 41.879 0.129 1 1508 151 151 LYS N N 116.869 0.156 1 1509 152 152 GLU H H 7.408 0.006 1 1510 152 152 GLU HA H 4.053 0.006 1 1511 152 152 GLU HB2 H 2.191 0.006 2 1512 152 152 GLU HB3 H 2.087 0.006 2 1513 152 152 GLU HG2 H 2.338 0.006 2 1514 152 152 GLU HG3 H 2.446 0.006 2 1515 152 152 GLU CA C 58.656 0.129 1 1516 152 152 GLU CB C 29.753 0.129 1 1517 152 152 GLU CG C 35.868 0.129 1 1518 152 152 GLU N N 115.868 0.156 1 1519 153 153 ILE H H 6.762 0.006 1 1520 153 153 ILE HA H 4.176 0.006 1 1521 153 153 ILE HB H 1.470 0.006 1 1522 153 153 ILE HG12 H 0.966 0.006 2 1523 153 153 ILE HG13 H 1.050 0.006 2 1524 153 153 ILE HG2 H 0.553 0.006 1 1525 153 153 ILE HD1 H 0.704 0.006 1 1526 153 153 ILE CA C 61.034 0.129 1 1527 153 153 ILE CB C 39.272 0.129 1 1528 153 153 ILE CG1 C 26.324 0.129 1 1529 153 153 ILE CG2 C 17.491 0.129 1 1530 153 153 ILE CD1 C 12.910 0.129 1 1531 153 153 ILE N N 110.437 0.156 1 1532 154 154 HIS H H 8.371 0.006 1 1533 154 154 HIS HA H 5.174 0.006 1 1534 154 154 HIS HB2 H 2.438 0.006 2 1535 154 154 HIS HB3 H 2.452 0.006 2 1536 154 154 HIS HD2 H 6.097 0.006 1 1537 154 154 HIS CA C 51.616 0.129 1 1538 154 154 HIS CB C 28.547 0.129 1 1539 154 154 HIS CD2 C 121.119 0.129 1 1540 154 154 HIS N N 117.779 0.156 1 1541 155 155 PRO HA H 4.520 0.006 1 1542 155 155 PRO HB2 H 2.027 0.006 2 1543 155 155 PRO HB3 H 2.448 0.006 2 1544 155 155 PRO HG2 H 2.090 0.006 1 1545 155 155 PRO HG3 H 2.090 0.006 1 1546 155 155 PRO HD2 H 3.692 0.006 2 1547 155 155 PRO HD3 H 3.257 0.006 2 1548 155 155 PRO CA C 66.193 0.129 1 1549 155 155 PRO CB C 31.446 0.129 1 1550 155 155 PRO CG C 27.630 0.129 1 1551 155 155 PRO CD C 49.602 0.129 1 stop_ save_