data_25259 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of hypothetical protein NP_344732.1 from Streptococcus pneumoniae TIGR4 ; _BMRB_accession_number 25259 _BMRB_flat_file_name bmr25259.str _Entry_type original _Submission_date 2014-10-01 _Accession_date 2014-10-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 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" 962 "13C chemical shifts" 565 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-11-03 original author . stop_ _Original_release_date 2014-11-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of hypothetical protein NP_344732.1 from Streptococcus pneumoniae TIGR4' _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 NP_344732.1 from Streptococcus pneumoniae TIGR4' _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 18399.924 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; GPATKTEKDTLQSALPVIEN AEKNTVVTKTLVLPKSDDGS QQTQTITYKDKTFLSLAIQQ KRPVSDELKTYIDQHGVEET QKALLEAEEKDKSIIEARKL AGFKLETKLLSATELQTTTS FDFQVLDVKKASQLEHLKNI GLENLLKNEPSKYISDRLAN GATEQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 ALA 4 4 THR 5 5 LYS 6 6 THR 7 7 GLU 8 8 LYS 9 9 ASP 10 10 THR 11 11 LEU 12 12 GLN 13 13 SER 14 14 ALA 15 15 LEU 16 16 PRO 17 17 VAL 18 18 ILE 19 19 GLU 20 20 ASN 21 21 ALA 22 22 GLU 23 23 LYS 24 24 ASN 25 25 THR 26 26 VAL 27 27 VAL 28 28 THR 29 29 LYS 30 30 THR 31 31 LEU 32 32 VAL 33 33 LEU 34 34 PRO 35 35 LYS 36 36 SER 37 37 ASP 38 38 ASP 39 39 GLY 40 40 SER 41 41 GLN 42 42 GLN 43 43 THR 44 44 GLN 45 45 THR 46 46 ILE 47 47 THR 48 48 TYR 49 49 LYS 50 50 ASP 51 51 LYS 52 52 THR 53 53 PHE 54 54 LEU 55 55 SER 56 56 LEU 57 57 ALA 58 58 ILE 59 59 GLN 60 60 GLN 61 61 LYS 62 62 ARG 63 63 PRO 64 64 VAL 65 65 SER 66 66 ASP 67 67 GLU 68 68 LEU 69 69 LYS 70 70 THR 71 71 TYR 72 72 ILE 73 73 ASP 74 74 GLN 75 75 HIS 76 76 GLY 77 77 VAL 78 78 GLU 79 79 GLU 80 80 THR 81 81 GLN 82 82 LYS 83 83 ALA 84 84 LEU 85 85 LEU 86 86 GLU 87 87 ALA 88 88 GLU 89 89 GLU 90 90 LYS 91 91 ASP 92 92 LYS 93 93 SER 94 94 ILE 95 95 ILE 96 96 GLU 97 97 ALA 98 98 ARG 99 99 LYS 100 100 LEU 101 101 ALA 102 102 GLY 103 103 PHE 104 104 LYS 105 105 LEU 106 106 GLU 107 107 THR 108 108 LYS 109 109 LEU 110 110 LEU 111 111 SER 112 112 ALA 113 113 THR 114 114 GLU 115 115 LEU 116 116 GLN 117 117 THR 118 118 THR 119 119 THR 120 120 SER 121 121 PHE 122 122 ASP 123 123 PHE 124 124 GLN 125 125 VAL 126 126 LEU 127 127 ASP 128 128 VAL 129 129 LYS 130 130 LYS 131 131 ALA 132 132 SER 133 133 GLN 134 134 LEU 135 135 GLU 136 136 HIS 137 137 LEU 138 138 LYS 139 139 ASN 140 140 ILE 141 141 GLY 142 142 LEU 143 143 GLU 144 144 ASN 145 145 LEU 146 146 LEU 147 147 LYS 148 148 ASN 149 149 GLU 150 150 PRO 151 151 SER 152 152 LYS 153 153 TYR 154 154 ILE 155 155 SER 156 156 ASP 157 157 ARG 158 158 LEU 159 159 ALA 160 160 ASN 161 161 GLY 162 162 ALA 163 163 THR 164 164 GLU 165 165 GLN 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 2MVB "Nmr Structure Of The Protein Np_344732.1 From Streptococcus Pneumoniae Tigr4" 100.00 165 100.00 100.00 1.86e-111 EMBL CAR68045 "putative lipoprotein [Streptococcus pneumoniae ATCC 700669]" 100.00 189 100.00 100.00 2.71e-111 EMBL CBJ23157 "conserved hypothetical protein [Streptococcus mitis B6]" 100.00 189 98.18 99.39 8.86e-109 EMBL CBW31879 "putative lipoprotein [Streptococcus pneumoniae OXC141]" 100.00 189 98.18 98.18 3.90e-109 EMBL CBW33812 "putative lipoprotein [Streptococcus pneumoniae INV200]" 100.00 189 100.00 100.00 2.71e-111 EMBL CBW35841 "putative lipoprotein [Streptococcus pneumoniae INV104]" 100.00 189 99.39 99.39 1.47e-110 GB AAK74372 "hypothetical protein SP_0191 [Streptococcus pneumoniae TIGR4]" 100.00 189 100.00 100.00 2.71e-111 GB AAK98978 "Hypothetical protein spr0174 [Streptococcus pneumoniae R6]" 100.00 189 98.79 99.39 8.19e-110 GB ABJ53699 "lipoprotein, putative [Streptococcus pneumoniae D39]" 100.00 189 98.79 99.39 8.19e-110 GB ACA36140 "lipoprotein, putative [Streptococcus pneumoniae Hungary19A-6]" 100.00 189 98.18 98.79 1.46e-108 GB ACB89456 "hypothetical protein SPCG_0204 [Streptococcus pneumoniae CGSP14]" 100.00 189 100.00 100.00 2.71e-111 REF NP_357768 "hypothetical protein spr0174 [Streptococcus pneumoniae R6]" 100.00 189 98.79 99.39 8.19e-110 REF WP_000725123 "transcriptional regulator [Streptococcus mitis]" 100.00 189 98.18 99.39 8.86e-109 REF WP_000725125 "transcriptional regulator [Streptococcus mitis]" 98.79 189 96.93 98.77 2.43e-105 REF WP_000725127 "transcriptional regulator [Streptococcus pneumoniae]" 100.00 189 98.79 99.39 8.19e-110 REF WP_000725131 "MULTISPECIES: transcriptional regulator [Streptococcus]" 100.00 189 96.97 97.58 3.83e-107 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity firmicutes Bacteria 170187 . Streptococcus pneumoniae TIGR4 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 _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'structure solution' 'chemical shift assignment' 'peak picking' 'structure solution' 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 refinement stop_ _Details . save_ save_j-UNIO _Saveframe_category software _Name UNIO'10 _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 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_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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 temperature 298 . K pH 6.0 . pH pressure 1 . atm 'ionic strength' 0.0798 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $j-UNIO stop_ 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 HNCACB' 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 3.947 0.005 1 2 1 1 GLY HA3 H 3.947 0.005 1 3 1 1 GLY CA C 41.191 0.160 1 4 2 2 PRO HA H 4.675 0.005 1 5 2 2 PRO HB2 H 1.993 0.005 1 6 2 2 PRO HB3 H 1.993 0.005 1 7 2 2 PRO HG2 H 2.092 0.005 1 8 2 2 PRO HG3 H 2.092 0.005 1 9 2 2 PRO HD2 H 3.698 0.005 1 10 2 2 PRO HD3 H 3.698 0.005 1 11 2 2 PRO CA C 60.808 0.160 1 12 2 2 PRO CB C 30.070 0.160 1 13 2 2 PRO CG C 24.940 0.160 1 14 2 2 PRO CD C 47.336 0.160 1 15 3 3 ALA H H 8.440 0.005 1 16 3 3 ALA HA H 4.494 0.005 1 17 3 3 ALA CA C 50.202 0.160 1 18 3 3 ALA CB C 16.818 0.160 1 19 3 3 ALA N N 126.741 0.144 1 20 4 4 THR H H 8.050 0.005 1 21 4 4 THR HA H 4.393 0.005 1 22 4 4 THR CA C 59.148 0.160 1 23 4 4 THR CB C 67.580 0.160 1 24 4 4 THR N N 116.015 0.144 1 25 5 5 LYS H H 8.332 0.005 1 26 5 5 LYS HA H 4.505 0.005 1 27 5 5 LYS CA C 53.917 0.160 1 28 5 5 LYS CB C 30.684 0.160 1 29 5 5 LYS N N 126.350 0.144 1 30 6 6 THR H H 8.283 0.005 1 31 6 6 THR HA H 4.440 0.005 1 32 6 6 THR HB H 4.311 0.005 1 33 6 6 THR HG2 H 1.268 0.005 1 34 6 6 THR CA C 59.282 0.160 1 35 6 6 THR CB C 67.685 0.160 1 36 6 6 THR N N 118.124 0.144 1 37 7 7 GLU H H 8.487 0.005 1 38 7 7 GLU HA H 4.344 0.005 1 39 7 7 GLU CA C 54.181 0.160 1 40 7 7 GLU CB C 27.816 0.160 1 41 7 7 GLU N N 125.934 0.144 1 42 8 8 LYS H H 8.278 0.005 1 43 8 8 LYS CA C 53.935 0.160 1 44 8 8 LYS CB C 30.565 0.160 1 45 8 8 LYS N N 123.945 0.144 1 46 9 9 ASP H H 8.277 0.005 1 47 9 9 ASP HA H 4.339 0.005 1 48 9 9 ASP CA C 52.123 0.160 1 49 9 9 ASP CB C 38.933 0.160 1 50 9 9 ASP N N 123.624 0.144 1 51 10 10 THR H H 8.049 0.005 1 52 10 10 THR HA H 4.349 0.005 1 53 10 10 THR HB H 4.309 0.005 1 54 10 10 THR CA C 59.634 0.160 1 55 10 10 THR CB C 67.254 0.160 1 56 10 10 THR N N 116.812 0.144 1 57 11 11 LEU H H 8.191 0.005 1 58 11 11 LEU HA H 4.392 0.005 1 59 11 11 LEU CA C 53.078 0.160 1 60 11 11 LEU CB C 39.633 0.160 1 61 11 11 LEU N N 126.610 0.144 1 62 12 12 GLN H H 8.280 0.005 1 63 12 12 GLN HA H 4.382 0.005 1 64 12 12 GLN CA C 53.574 0.160 1 65 12 12 GLN CB C 26.803 0.160 1 66 12 12 GLN N N 123.274 0.144 1 67 13 13 SER H H 8.178 0.005 1 68 13 13 SER HA H 4.471 0.005 1 69 13 13 SER HB2 H 3.914 0.005 1 70 13 13 SER HB3 H 3.914 0.005 1 71 13 13 SER CA C 55.869 0.160 1 72 13 13 SER CB C 61.424 0.160 1 73 13 13 SER N N 119.027 0.144 1 74 14 14 ALA H H 8.195 0.005 1 75 14 14 ALA HA H 4.434 0.005 1 76 14 14 ALA HB H 1.446 0.005 1 77 14 14 ALA CA C 49.696 0.160 1 78 14 14 ALA CB C 17.081 0.160 1 79 14 14 ALA N N 128.314 0.144 1 80 15 15 LEU H H 8.050 0.005 1 81 15 15 LEU HA H 4.640 0.005 1 82 15 15 LEU HB2 H 1.622 0.005 1 83 15 15 LEU HB3 H 1.622 0.005 1 84 15 15 LEU HD1 H 0.969 0.005 1 85 15 15 LEU CA C 50.604 0.160 1 86 15 15 LEU CB C 39.467 0.160 1 87 15 15 LEU N N 125.175 0.144 1 88 16 16 PRO HA H 4.504 0.005 1 89 16 16 PRO HB2 H 2.325 0.005 1 90 16 16 PRO HB3 H 2.325 0.005 1 91 16 16 PRO HG2 H 2.084 0.005 1 92 16 16 PRO HG3 H 2.084 0.005 1 93 16 16 PRO HD2 H 3.705 0.005 2 94 16 16 PRO HD3 H 3.891 0.005 2 95 16 16 PRO CA C 60.631 0.160 1 96 16 16 PRO CB C 29.658 0.160 1 97 16 16 PRO CG C 24.930 0.160 1 98 16 16 PRO CD C 48.041 0.160 1 99 17 17 VAL H H 8.134 0.005 1 100 17 17 VAL HA H 4.134 0.005 1 101 17 17 VAL HB H 2.085 0.005 1 102 17 17 VAL HG1 H 0.969 0.005 2 103 17 17 VAL HG2 H 1.016 0.005 2 104 17 17 VAL CA C 59.827 0.160 1 105 17 17 VAL CB C 30.377 0.160 1 106 17 17 VAL CG1 C 18.898 0.160 2 107 17 17 VAL CG2 C 18.440 0.160 2 108 17 17 VAL N N 123.223 0.144 1 109 18 18 ILE H H 8.187 0.005 1 110 18 18 ILE HA H 4.243 0.005 1 111 18 18 ILE HB H 1.907 0.005 1 112 18 18 ILE HG12 H 1.522 0.005 2 113 18 18 ILE HG13 H 1.244 0.005 2 114 18 18 ILE HG2 H 0.949 0.005 1 115 18 18 ILE HD1 H 0.906 0.005 1 116 18 18 ILE CA C 58.322 0.160 1 117 18 18 ILE CB C 36.254 0.160 1 118 18 18 ILE CG1 C 24.928 0.160 1 119 18 18 ILE CG2 C 15.283 0.160 1 120 18 18 ILE CD1 C 10.396 0.160 1 121 18 18 ILE N N 127.777 0.144 1 122 19 19 GLU H H 8.475 0.005 1 123 19 19 GLU HA H 4.337 0.005 1 124 19 19 GLU HB2 H 1.984 0.005 2 125 19 19 GLU HB3 H 2.072 0.005 2 126 19 19 GLU HG2 H 2.317 0.005 1 127 19 19 GLU HG3 H 2.317 0.005 1 128 19 19 GLU CA C 54.091 0.160 1 129 19 19 GLU CB C 28.176 0.160 1 130 19 19 GLU CG C 34.030 0.160 1 131 19 19 GLU N N 128.148 0.144 1 132 20 20 ASN H H 8.477 0.005 1 133 20 20 ASN HA H 4.695 0.005 1 134 20 20 ASN HB2 H 2.839 0.005 2 135 20 20 ASN HB3 H 2.901 0.005 2 136 20 20 ASN HD21 H 7.605 0.005 2 137 20 20 ASN HD22 H 6.927 0.005 2 138 20 20 ASN CA C 50.822 0.160 1 139 20 20 ASN CB C 36.366 0.160 1 140 20 20 ASN N N 122.788 0.144 1 141 20 20 ASN ND2 N 115.167 0.144 1 142 21 21 ALA H H 8.325 0.005 1 143 21 21 ALA HA H 4.321 0.005 1 144 21 21 ALA HB H 1.473 0.005 1 145 21 21 ALA CA C 50.688 0.160 1 146 21 21 ALA CB C 16.913 0.160 1 147 21 21 ALA N N 127.253 0.144 1 148 22 22 GLU H H 8.415 0.005 1 149 22 22 GLU HA H 4.293 0.005 1 150 22 22 GLU HB2 H 2.045 0.005 2 151 22 22 GLU HB3 H 2.134 0.005 2 152 22 22 GLU HG2 H 2.320 0.005 1 153 22 22 GLU HG3 H 2.320 0.005 1 154 22 22 GLU CA C 54.583 0.160 1 155 22 22 GLU CB C 27.285 0.160 1 156 22 22 GLU CG C 33.972 0.160 1 157 22 22 GLU N N 122.044 0.144 1 158 23 23 LYS H H 8.127 0.005 1 159 23 23 LYS HA H 4.325 0.005 1 160 23 23 LYS HB2 H 1.899 0.005 2 161 23 23 LYS HB3 H 1.847 0.005 2 162 23 23 LYS CA C 54.496 0.160 1 163 23 23 LYS CB C 30.653 0.160 1 164 23 23 LYS CG C 27.179 0.160 1 165 23 23 LYS N N 123.622 0.144 1 166 24 24 ASN H H 8.424 0.005 1 167 24 24 ASN HA H 4.841 0.005 1 168 24 24 ASN HB2 H 2.812 0.005 2 169 24 24 ASN HB3 H 2.970 0.005 2 170 24 24 ASN HD21 H 7.634 0.005 2 171 24 24 ASN HD22 H 6.935 0.005 2 172 24 24 ASN CA C 50.663 0.160 1 173 24 24 ASN CB C 36.775 0.160 1 174 24 24 ASN N N 120.652 0.144 1 175 24 24 ASN ND2 N 115.363 0.144 1 176 25 25 THR H H 7.852 0.005 1 177 25 25 THR HA H 4.367 0.005 1 178 25 25 THR HB H 4.198 0.005 1 179 25 25 THR HG2 H 1.221 0.005 1 180 25 25 THR CA C 59.500 0.160 1 181 25 25 THR CB C 67.610 0.160 1 182 25 25 THR CG2 C 19.459 0.160 1 183 25 25 THR N N 117.102 0.144 1 184 26 26 VAL H H 8.080 0.005 1 185 26 26 VAL HA H 4.167 0.005 1 186 26 26 VAL HB H 1.935 0.005 1 187 26 26 VAL HG1 H 0.797 0.005 2 188 26 26 VAL HG2 H 0.917 0.005 2 189 26 26 VAL CA C 60.193 0.160 1 190 26 26 VAL CB C 29.605 0.160 1 191 26 26 VAL CG1 C 19.512 0.160 2 192 26 26 VAL CG2 C 19.324 0.160 2 193 26 26 VAL N N 126.491 0.144 1 194 27 27 VAL H H 8.830 0.005 1 195 27 27 VAL HA H 4.081 0.005 1 196 27 27 VAL HB H 0.769 0.005 1 197 27 27 VAL HG1 H 0.682 0.005 2 198 27 27 VAL HG2 H 0.812 0.005 2 199 27 27 VAL CA C 58.984 0.160 1 200 27 27 VAL CB C 31.540 0.160 1 201 27 27 VAL CG1 C 18.615 0.160 2 202 27 27 VAL CG2 C 19.636 0.160 2 203 27 27 VAL N N 132.992 0.144 1 204 28 28 THR H H 8.165 0.005 1 205 28 28 THR HA H 5.553 0.005 1 206 28 28 THR HB H 3.840 0.005 1 207 28 28 THR HG2 H 1.123 0.005 1 208 28 28 THR CA C 58.738 0.160 1 209 28 28 THR CB C 68.443 0.160 1 210 28 28 THR CG2 C 19.087 0.160 1 211 28 28 THR N N 123.576 0.144 1 212 29 29 LYS H H 9.273 0.005 1 213 29 29 LYS HA H 4.942 0.005 1 214 29 29 LYS HB2 H 1.824 0.005 1 215 29 29 LYS HB3 H 1.824 0.005 1 216 29 29 LYS HG2 H 1.594 0.005 2 217 29 29 LYS HG3 H 1.643 0.005 2 218 29 29 LYS HD2 H 1.853 0.005 1 219 29 29 LYS HD3 H 1.853 0.005 1 220 29 29 LYS HE2 H 3.071 0.005 1 221 29 29 LYS HE3 H 3.071 0.005 1 222 29 29 LYS CA C 51.779 0.160 1 223 29 29 LYS CB C 35.096 0.160 1 224 29 29 LYS CG C 22.935 0.160 1 225 29 29 LYS CD C 26.875 0.160 1 226 29 29 LYS CE C 39.848 0.160 1 227 29 29 LYS N N 129.099 0.144 1 228 30 30 THR H H 8.993 0.005 1 229 30 30 THR HA H 5.428 0.005 1 230 30 30 THR HB H 4.043 0.005 1 231 30 30 THR HG2 H 1.112 0.005 1 232 30 30 THR CA C 59.784 0.160 1 233 30 30 THR CB C 67.818 0.160 1 234 30 30 THR CG2 C 19.545 0.160 1 235 30 30 THR N N 123.510 0.144 1 236 31 31 LEU H H 9.557 0.005 1 237 31 31 LEU HA H 5.220 0.005 1 238 31 31 LEU HB2 H 1.244 0.005 2 239 31 31 LEU HB3 H 1.825 0.005 2 240 31 31 LEU HG H 1.747 0.005 1 241 31 31 LEU HD1 H 0.860 0.005 2 242 31 31 LEU HD2 H 0.917 0.005 2 243 31 31 LEU CA C 50.055 0.160 1 244 31 31 LEU CB C 43.399 0.160 1 245 31 31 LEU CG C 25.016 0.160 1 246 31 31 LEU CD1 C 22.018 0.160 2 247 31 31 LEU CD2 C 24.137 0.160 2 248 31 31 LEU N N 128.293 0.144 1 249 32 32 VAL H H 9.364 0.005 1 250 32 32 VAL HA H 4.451 0.005 1 251 32 32 VAL HB H 2.131 0.005 1 252 32 32 VAL HG1 H 0.929 0.005 1 253 32 32 VAL HG2 H 0.929 0.005 1 254 32 32 VAL CA C 59.664 0.160 1 255 32 32 VAL CB C 29.449 0.160 1 256 32 32 VAL CG1 C 18.460 0.160 2 257 32 32 VAL CG2 C 18.455 0.160 2 258 32 32 VAL N N 126.919 0.144 1 259 33 33 LEU H H 8.587 0.005 1 260 33 33 LEU HA H 4.556 0.005 1 261 33 33 LEU HB2 H 2.125 0.005 2 262 33 33 LEU HB3 H 1.833 0.005 2 263 33 33 LEU HG H 1.837 0.005 1 264 33 33 LEU HD1 H 0.943 0.005 2 265 33 33 LEU HD2 H 0.910 0.005 2 266 33 33 LEU CA C 52.004 0.160 1 267 33 33 LEU CB C 36.847 0.160 1 268 33 33 LEU CG C 27.350 0.160 1 269 33 33 LEU CD1 C 22.538 0.160 2 270 33 33 LEU CD2 C 22.000 0.160 2 271 33 33 LEU N N 133.503 0.144 1 272 34 34 PRO HA H 4.481 0.005 1 273 34 34 PRO HB2 H 2.430 0.005 2 274 34 34 PRO HB3 H 1.914 0.005 2 275 34 34 PRO HG2 H 2.249 0.005 2 276 34 34 PRO HG3 H 2.042 0.005 2 277 34 34 PRO HD2 H 3.474 0.005 2 278 34 34 PRO HD3 H 3.690 0.005 2 279 34 34 PRO CA C 60.445 0.160 1 280 34 34 PRO CB C 29.565 0.160 1 281 34 34 PRO CG C 25.565 0.160 1 282 34 34 PRO CD C 47.780 0.160 1 283 35 35 LYS H H 8.666 0.005 1 284 35 35 LYS HA H 4.366 0.005 1 285 35 35 LYS HB2 H 1.833 0.005 1 286 35 35 LYS HB3 H 1.833 0.005 1 287 35 35 LYS HG2 H 1.501 0.005 2 288 35 35 LYS HG3 H 1.616 0.005 2 289 35 35 LYS HD2 H 1.747 0.005 1 290 35 35 LYS HD3 H 1.747 0.005 1 291 35 35 LYS HE2 H 3.049 0.005 1 292 35 35 LYS HE3 H 3.049 0.005 1 293 35 35 LYS CA C 55.119 0.160 1 294 35 35 LYS CB C 30.594 0.160 1 295 35 35 LYS CG C 22.615 0.160 1 296 35 35 LYS CD C 26.868 0.160 1 297 35 35 LYS CE C 39.846 0.160 1 298 35 35 LYS N N 127.420 0.144 1 299 36 36 SER H H 8.771 0.005 1 300 36 36 SER HA H 4.753 0.005 1 301 36 36 SER HB2 H 4.122 0.005 1 302 36 36 SER HB3 H 4.122 0.005 1 303 36 36 SER CA C 55.328 0.160 1 304 36 36 SER CB C 61.728 0.160 1 305 36 36 SER N N 122.222 0.144 1 306 37 37 ASP H H 8.859 0.005 1 307 37 37 ASP HA H 4.454 0.005 1 308 37 37 ASP HB2 H 2.790 0.005 1 309 37 37 ASP HB3 H 2.790 0.005 1 310 37 37 ASP CA C 54.616 0.160 1 311 37 37 ASP CB C 37.985 0.160 1 312 37 37 ASP N N 126.346 0.144 1 313 38 38 ASP H H 7.944 0.005 1 314 38 38 ASP HA H 4.615 0.005 1 315 38 38 ASP HB2 H 3.152 0.005 2 316 38 38 ASP HB3 H 2.705 0.005 2 317 38 38 ASP CA C 50.788 0.160 1 318 38 38 ASP CB C 37.635 0.160 1 319 38 38 ASP N N 119.171 0.144 1 320 39 39 GLY H H 8.145 0.005 1 321 39 39 GLY HA2 H 3.652 0.005 2 322 39 39 GLY HA3 H 4.421 0.005 2 323 39 39 GLY CA C 42.761 0.160 1 324 39 39 GLY N N 110.352 0.144 1 325 40 40 SER H H 8.344 0.005 1 326 40 40 SER HA H 4.877 0.005 1 327 40 40 SER HB2 H 4.071 0.005 2 328 40 40 SER HB3 H 3.996 0.005 2 329 40 40 SER CA C 56.525 0.160 1 330 40 40 SER CB C 62.245 0.160 1 331 40 40 SER N N 120.090 0.144 1 332 41 41 GLN H H 8.627 0.005 1 333 41 41 GLN HA H 4.927 0.005 1 334 41 41 GLN HB2 H 1.873 0.005 2 335 41 41 GLN HB3 H 2.139 0.005 2 336 41 41 GLN HG2 H 2.287 0.005 2 337 41 41 GLN HG3 H 2.405 0.005 2 338 41 41 GLN HE21 H 7.876 0.005 2 339 41 41 GLN HE22 H 7.032 0.005 2 340 41 41 GLN CA C 53.414 0.160 1 341 41 41 GLN CB C 30.314 0.160 1 342 41 41 GLN CG C 31.810 0.160 1 343 41 41 GLN N N 122.551 0.144 1 344 41 41 GLN NE2 N 116.927 0.144 1 345 42 42 GLN H H 9.189 0.005 1 346 42 42 GLN HA H 5.611 0.005 1 347 42 42 GLN HB2 H 2.118 0.005 2 348 42 42 GLN HB3 H 2.186 0.005 2 349 42 42 GLN HG2 H 2.117 0.005 2 350 42 42 GLN HG3 H 2.495 0.005 2 351 42 42 GLN HE21 H 7.381 0.005 2 352 42 42 GLN HE22 H 6.772 0.005 2 353 42 42 GLN CA C 52.072 0.160 1 354 42 42 GLN CB C 30.319 0.160 1 355 42 42 GLN CG C 33.457 0.160 1 356 42 42 GLN N N 131.724 0.144 1 357 42 42 GLN NE2 N 111.777 0.144 1 358 43 43 THR H H 9.139 0.005 1 359 43 43 THR HA H 5.380 0.005 1 360 43 43 THR HB H 4.105 0.005 1 361 43 43 THR HG2 H 1.207 0.005 1 362 43 43 THR CA C 58.863 0.160 1 363 43 43 THR CB C 68.893 0.160 1 364 43 43 THR CG2 C 19.362 0.160 1 365 43 43 THR N N 122.202 0.144 1 366 44 44 GLN H H 9.760 0.005 1 367 44 44 GLN HA H 5.634 0.005 1 368 44 44 GLN HB2 H 2.109 0.005 1 369 44 44 GLN HB3 H 2.109 0.005 1 370 44 44 GLN HG2 H 2.449 0.005 2 371 44 44 GLN HG3 H 2.499 0.005 2 372 44 44 GLN HE21 H 7.485 0.005 2 373 44 44 GLN HE22 H 6.599 0.005 2 374 44 44 GLN CA C 51.668 0.160 1 375 44 44 GLN CB C 28.910 0.160 1 376 44 44 GLN CG C 31.522 0.160 1 377 44 44 GLN N N 127.190 0.144 1 378 44 44 GLN NE2 N 109.752 0.144 1 379 45 45 THR H H 9.518 0.005 1 380 45 45 THR HA H 5.421 0.005 1 381 45 45 THR HB H 4.036 0.005 1 382 45 45 THR HG2 H 1.185 0.005 1 383 45 45 THR CA C 60.071 0.160 1 384 45 45 THR CB C 67.541 0.160 1 385 45 45 THR CG2 C 19.106 0.160 1 386 45 45 THR N N 123.479 0.144 1 387 46 46 ILE H H 9.830 0.005 1 388 46 46 ILE HA H 5.003 0.005 1 389 46 46 ILE HB H 2.060 0.005 1 390 46 46 ILE HG12 H 1.871 0.005 2 391 46 46 ILE HG13 H 1.401 0.005 2 392 46 46 ILE HG2 H 1.314 0.005 1 393 46 46 ILE HD1 H 1.218 0.005 1 394 46 46 ILE CA C 58.471 0.160 1 395 46 46 ILE CB C 39.945 0.160 1 396 46 46 ILE CG1 C 27.030 0.160 1 397 46 46 ILE CG2 C 17.245 0.160 1 398 46 46 ILE CD1 C 13.412 0.160 1 399 46 46 ILE N N 133.908 0.144 1 400 47 47 THR H H 8.843 0.005 1 401 47 47 THR HA H 6.048 0.005 1 402 47 47 THR HB H 4.227 0.005 1 403 47 47 THR HG2 H 1.220 0.005 1 404 47 47 THR CA C 58.551 0.160 1 405 47 47 THR CB C 67.819 0.160 1 406 47 47 THR CG2 C 19.505 0.160 1 407 47 47 THR N N 124.701 0.144 1 408 48 48 TYR H H 9.638 0.005 1 409 48 48 TYR HA H 5.278 0.005 1 410 48 48 TYR HB2 H 2.863 0.005 2 411 48 48 TYR HB3 H 2.590 0.005 2 412 48 48 TYR HD1 H 6.787 0.005 3 413 48 48 TYR HD2 H 6.787 0.005 3 414 48 48 TYR HE1 H 6.632 0.005 3 415 48 48 TYR HE2 H 6.632 0.005 3 416 48 48 TYR CA C 53.729 0.160 1 417 48 48 TYR CB C 39.432 0.160 1 418 48 48 TYR CD1 C 131.362 0.160 3 419 48 48 TYR CD2 C 131.360 0.160 3 420 48 48 TYR CE1 C 115.649 0.160 3 421 48 48 TYR CE2 C 115.650 0.160 3 422 48 48 TYR N N 127.369 0.144 1 423 49 49 LYS H H 8.560 0.005 1 424 49 49 LYS HA H 4.656 0.005 1 425 49 49 LYS HB2 H 1.770 0.005 2 426 49 49 LYS HB3 H 1.651 0.005 2 427 49 49 LYS HG2 H 1.388 0.005 2 428 49 49 LYS HG3 H 1.309 0.005 2 429 49 49 LYS HD2 H 1.678 0.005 1 430 49 49 LYS HD3 H 1.678 0.005 1 431 49 49 LYS HE2 H 2.988 0.005 1 432 49 49 LYS HE3 H 2.988 0.005 1 433 49 49 LYS CA C 52.972 0.160 1 434 49 49 LYS CB C 33.603 0.160 1 435 49 49 LYS CG C 22.000 0.160 1 436 49 49 LYS CD C 27.221 0.160 1 437 49 49 LYS CE C 39.707 0.160 1 438 49 49 LYS N N 122.138 0.144 1 439 50 50 ASP H H 9.597 0.005 1 440 50 50 ASP HA H 4.304 0.005 1 441 50 50 ASP HB2 H 3.196 0.005 2 442 50 50 ASP HB3 H 2.972 0.005 2 443 50 50 ASP CA C 54.760 0.160 1 444 50 50 ASP CB C 37.339 0.160 1 445 50 50 ASP N N 130.208 0.144 1 446 51 51 LYS H H 8.450 0.005 1 447 51 51 LYS HA H 4.531 0.005 1 448 51 51 LYS HB2 H 2.167 0.005 2 449 51 51 LYS HB3 H 1.848 0.005 2 450 51 51 LYS HG2 H 1.412 0.005 2 451 51 51 LYS HG3 H 1.524 0.005 2 452 51 51 LYS HD2 H 1.951 0.005 2 453 51 51 LYS HD3 H 1.745 0.005 2 454 51 51 LYS HE2 H 3.049 0.005 1 455 51 51 LYS HE3 H 3.049 0.005 1 456 51 51 LYS CA C 53.734 0.160 1 457 51 51 LYS CB C 30.395 0.160 1 458 51 51 LYS CG C 22.826 0.160 1 459 51 51 LYS CD C 26.780 0.160 1 460 51 51 LYS CE C 39.789 0.160 1 461 51 51 LYS N N 124.586 0.144 1 462 52 52 THR H H 8.658 0.005 1 463 52 52 THR HA H 4.717 0.005 1 464 52 52 THR HB H 4.260 0.005 1 465 52 52 THR HG2 H 1.316 0.005 1 466 52 52 THR CA C 59.313 0.160 1 467 52 52 THR CB C 68.815 0.160 1 468 52 52 THR CG2 C 19.295 0.160 1 469 52 52 THR N N 120.044 0.144 1 470 53 53 PHE H H 9.218 0.005 1 471 53 53 PHE HA H 4.283 0.005 1 472 53 53 PHE HB2 H 2.770 0.005 2 473 53 53 PHE HB3 H 2.727 0.005 2 474 53 53 PHE HD1 H 7.240 0.005 3 475 53 53 PHE HD2 H 7.240 0.005 3 476 53 53 PHE HE1 H 6.707 0.005 3 477 53 53 PHE HE2 H 6.707 0.005 3 478 53 53 PHE CA C 57.989 0.160 1 479 53 53 PHE CB C 38.311 0.160 1 480 53 53 PHE CD1 C 129.208 0.160 3 481 53 53 PHE CD2 C 129.210 0.160 3 482 53 53 PHE CE1 C 127.204 0.160 3 483 53 53 PHE CE2 C 127.200 0.160 3 484 53 53 PHE N N 128.987 0.144 1 485 54 54 LEU H H 9.391 0.005 1 486 54 54 LEU HA H 4.929 0.005 1 487 54 54 LEU HB2 H 1.610 0.005 2 488 54 54 LEU HB3 H 1.771 0.005 2 489 54 54 LEU HG H 1.739 0.005 1 490 54 54 LEU HD1 H 0.922 0.005 2 491 54 54 LEU HD2 H 0.947 0.005 2 492 54 54 LEU CA C 54.241 0.160 1 493 54 54 LEU CB C 40.517 0.160 1 494 54 54 LEU CG C 25.105 0.160 1 495 54 54 LEU CD1 C 24.306 0.160 2 496 54 54 LEU CD2 C 20.688 0.160 2 497 54 54 LEU N N 124.874 0.144 1 498 55 55 SER H H 8.736 0.005 1 499 55 55 SER HA H 5.194 0.005 1 500 55 55 SER HB2 H 4.095 0.005 2 501 55 55 SER HB3 H 4.043 0.005 2 502 55 55 SER CA C 55.818 0.160 1 503 55 55 SER CB C 63.474 0.160 1 504 55 55 SER N N 115.516 0.144 1 505 56 56 LEU H H 8.328 0.005 1 506 56 56 LEU HA H 5.543 0.005 1 507 56 56 LEU HB2 H 1.756 0.005 2 508 56 56 LEU HB3 H 1.958 0.005 2 509 56 56 LEU HG H 1.634 0.005 1 510 56 56 LEU HD1 H 1.027 0.005 2 511 56 56 LEU HD2 H 0.805 0.005 2 512 56 56 LEU CA C 51.637 0.160 1 513 56 56 LEU CB C 45.513 0.160 1 514 56 56 LEU CG C 25.813 0.160 1 515 56 56 LEU CD1 C 21.809 0.160 2 516 56 56 LEU CD2 C 24.104 0.160 2 517 56 56 LEU N N 124.352 0.144 1 518 57 57 ALA H H 9.208 0.005 1 519 57 57 ALA HA H 5.505 0.005 1 520 57 57 ALA HB H 1.372 0.005 1 521 57 57 ALA CA C 48.202 0.160 1 522 57 57 ALA CB C 18.964 0.160 1 523 57 57 ALA N N 131.450 0.144 1 524 58 58 ILE H H 9.597 0.005 1 525 58 58 ILE HA H 4.784 0.005 1 526 58 58 ILE HB H 2.085 0.005 1 527 58 58 ILE HG12 H 1.090 0.005 2 528 58 58 ILE HG13 H 1.758 0.005 2 529 58 58 ILE HG2 H 1.006 0.005 1 530 58 58 ILE HD1 H 1.087 0.005 1 531 58 58 ILE CA C 58.247 0.160 1 532 58 58 ILE CB C 38.045 0.160 1 533 58 58 ILE CG1 C 25.467 0.160 1 534 58 58 ILE CG2 C 15.788 0.160 1 535 58 58 ILE CD1 C 11.910 0.160 1 536 58 58 ILE N N 126.248 0.144 1 537 59 59 GLN H H 9.389 0.005 1 538 59 59 GLN HA H 5.247 0.005 1 539 59 59 GLN HB2 H 2.210 0.005 2 540 59 59 GLN HB3 H 2.022 0.005 2 541 59 59 GLN HG2 H 2.221 0.005 2 542 59 59 GLN HG3 H 2.022 0.005 2 543 59 59 GLN HE21 H 7.438 0.005 2 544 59 59 GLN HE22 H 6.739 0.005 2 545 59 59 GLN CA C 52.164 0.160 1 546 59 59 GLN CB C 29.661 0.160 1 547 59 59 GLN CG C 32.452 0.160 1 548 59 59 GLN N N 132.065 0.144 1 549 59 59 GLN NE2 N 113.354 0.144 1 550 60 60 GLN H H 9.471 0.005 1 551 60 60 GLN HA H 5.209 0.005 1 552 60 60 GLN HB2 H 2.317 0.005 2 553 60 60 GLN HB3 H 2.004 0.005 2 554 60 60 GLN HG2 H 2.146 0.005 2 555 60 60 GLN HG3 H 2.319 0.005 2 556 60 60 GLN HE21 H 7.284 0.005 2 557 60 60 GLN HE22 H 7.066 0.005 2 558 60 60 GLN CA C 52.021 0.160 1 559 60 60 GLN CB C 29.476 0.160 1 560 60 60 GLN CG C 32.108 0.160 1 561 60 60 GLN N N 130.314 0.144 1 562 60 60 GLN NE2 N 114.334 0.144 1 563 61 61 LYS H H 8.893 0.005 1 564 61 61 LYS HA H 5.415 0.005 1 565 61 61 LYS HB2 H 1.975 0.005 2 566 61 61 LYS HB3 H 1.865 0.005 2 567 61 61 LYS HG2 H 1.547 0.005 2 568 61 61 LYS HG3 H 1.414 0.005 2 569 61 61 LYS HD2 H 1.705 0.005 1 570 61 61 LYS HD3 H 1.705 0.005 1 571 61 61 LYS HE2 H 3.013 0.005 1 572 61 61 LYS HE3 H 3.013 0.005 1 573 61 61 LYS CA C 53.120 0.160 1 574 61 61 LYS CB C 32.417 0.160 1 575 61 61 LYS CG C 23.158 0.160 1 576 61 61 LYS CD C 27.074 0.160 1 577 61 61 LYS CE C 41.028 0.160 1 578 61 61 LYS N N 131.044 0.144 1 579 62 62 ARG H H 9.120 0.005 1 580 62 62 ARG HA H 5.003 0.005 1 581 62 62 ARG HB2 H 1.869 0.005 2 582 62 62 ARG HB3 H 1.785 0.005 2 583 62 62 ARG HG2 H 1.600 0.005 2 584 62 62 ARG HG3 H 1.726 0.005 2 585 62 62 ARG HD2 H 3.196 0.005 1 586 62 62 ARG HD3 H 3.196 0.005 1 587 62 62 ARG CA C 51.091 0.160 1 588 62 62 ARG CB C 29.878 0.160 1 589 62 62 ARG CG C 24.191 0.160 1 590 62 62 ARG CD C 41.560 0.160 1 591 62 62 ARG N N 125.397 0.144 1 592 63 63 PRO HA H 4.975 0.005 1 593 63 63 PRO HB2 H 2.498 0.005 2 594 63 63 PRO HB3 H 1.957 0.005 2 595 63 63 PRO HG2 H 2.119 0.005 2 596 63 63 PRO HG3 H 2.184 0.005 2 597 63 63 PRO HD2 H 3.601 0.005 2 598 63 63 PRO HD3 H 3.677 0.005 2 599 63 63 PRO CA C 59.497 0.160 1 600 63 63 PRO CB C 29.884 0.160 1 601 63 63 PRO CG C 25.134 0.160 1 602 63 63 PRO CD C 48.183 0.160 1 603 64 64 VAL H H 7.520 0.005 1 604 64 64 VAL HA H 4.024 0.005 1 605 64 64 VAL HB H 2.070 0.005 1 606 64 64 VAL HG1 H 0.937 0.005 2 607 64 64 VAL HG2 H 0.896 0.005 2 608 64 64 VAL CA C 59.677 0.160 1 609 64 64 VAL CB C 30.365 0.160 1 610 64 64 VAL CG1 C 19.741 0.160 2 611 64 64 VAL CG2 C 18.280 0.160 2 612 64 64 VAL N N 121.305 0.144 1 613 65 65 SER H H 8.080 0.005 1 614 65 65 SER HA H 4.521 0.005 1 615 65 65 SER HB2 H 4.160 0.005 2 616 65 65 SER HB3 H 4.427 0.005 2 617 65 65 SER CA C 54.897 0.160 1 618 65 65 SER CB C 62.564 0.160 1 619 65 65 SER N N 123.215 0.144 1 620 66 66 ASP H H 8.900 0.005 1 621 66 66 ASP HA H 4.429 0.005 1 622 66 66 ASP HB2 H 2.783 0.005 2 623 66 66 ASP HB3 H 2.731 0.005 2 624 66 66 ASP CA C 55.378 0.160 1 625 66 66 ASP CB C 38.038 0.160 1 626 66 66 ASP N N 123.802 0.144 1 627 67 67 GLU H H 8.717 0.005 1 628 67 67 GLU HA H 4.189 0.005 1 629 67 67 GLU HB2 H 2.131 0.005 2 630 67 67 GLU HB3 H 2.035 0.005 2 631 67 67 GLU HG2 H 2.392 0.005 1 632 67 67 GLU HG3 H 2.392 0.005 1 633 67 67 GLU CA C 57.440 0.160 1 634 67 67 GLU CB C 26.785 0.160 1 635 67 67 GLU CG C 34.418 0.160 1 636 67 67 GLU N N 121.943 0.144 1 637 68 68 LEU H H 7.820 0.005 1 638 68 68 LEU HA H 4.343 0.005 1 639 68 68 LEU HB2 H 1.776 0.005 2 640 68 68 LEU HB3 H 1.696 0.005 2 641 68 68 LEU HG H 1.744 0.005 1 642 68 68 LEU HD1 H 0.946 0.005 2 643 68 68 LEU HD2 H 0.950 0.005 2 644 68 68 LEU CA C 54.472 0.160 1 645 68 68 LEU CB C 39.404 0.160 1 646 68 68 LEU CG C 24.909 0.160 1 647 68 68 LEU CD1 C 21.900 0.160 1 648 68 68 LEU CD2 C 23.077 0.160 2 649 68 68 LEU N N 125.458 0.144 1 650 69 69 LYS H H 8.690 0.005 1 651 69 69 LYS HA H 4.006 0.005 1 652 69 69 LYS HB2 H 2.129 0.005 2 653 69 69 LYS HB3 H 2.000 0.005 2 654 69 69 LYS HG2 H 1.502 0.005 2 655 69 69 LYS HG3 H 1.616 0.005 2 656 69 69 LYS HD2 H 1.745 0.005 1 657 69 69 LYS HD3 H 1.745 0.005 1 658 69 69 LYS HE2 H 3.049 0.005 1 659 69 69 LYS HE3 H 3.049 0.005 1 660 69 69 LYS CA C 57.617 0.160 1 661 69 69 LYS CB C 30.037 0.160 1 662 69 69 LYS CG C 22.713 0.160 1 663 69 69 LYS CD C 27.207 0.160 1 664 69 69 LYS CE C 39.874 0.160 1 665 69 69 LYS N N 123.868 0.144 1 666 70 70 THR H H 7.935 0.005 1 667 70 70 THR HA H 4.088 0.005 1 668 70 70 THR HB H 4.337 0.005 1 669 70 70 THR HG2 H 1.357 0.005 1 670 70 70 THR CA C 63.879 0.160 1 671 70 70 THR CB C 66.383 0.160 1 672 70 70 THR CG2 C 19.510 0.160 1 673 70 70 THR N N 117.109 0.144 1 674 71 71 TYR H H 7.683 0.005 1 675 71 71 TYR HA H 4.205 0.005 1 676 71 71 TYR HB2 H 3.490 0.005 2 677 71 71 TYR HB3 H 3.184 0.005 2 678 71 71 TYR HD1 H 7.446 0.005 3 679 71 71 TYR HD2 H 7.446 0.005 3 680 71 71 TYR HE1 H 6.520 0.005 3 681 71 71 TYR HE2 H 6.520 0.005 3 682 71 71 TYR CA C 60.225 0.160 1 683 71 71 TYR CB C 36.545 0.160 1 684 71 71 TYR CD1 C 131.914 0.160 3 685 71 71 TYR CD2 C 131.910 0.160 3 686 71 71 TYR CE1 C 115.612 0.160 3 687 71 71 TYR CE2 C 115.610 0.160 3 688 71 71 TYR N N 127.006 0.144 1 689 72 72 ILE H H 9.083 0.005 1 690 72 72 ILE HA H 3.679 0.005 1 691 72 72 ILE HB H 2.144 0.005 1 692 72 72 ILE HG12 H 2.243 0.005 2 693 72 72 ILE HG13 H 1.009 0.005 2 694 72 72 ILE HG2 H 0.998 0.005 1 695 72 72 ILE HD1 H 1.060 0.005 1 696 72 72 ILE CA C 62.895 0.160 1 697 72 72 ILE CB C 36.276 0.160 1 698 72 72 ILE CG1 C 28.823 0.160 1 699 72 72 ILE CG2 C 15.804 0.160 1 700 72 72 ILE CD1 C 13.299 0.160 1 701 72 72 ILE N N 125.064 0.144 1 702 73 73 ASP H H 8.751 0.005 1 703 73 73 ASP HA H 4.389 0.005 1 704 73 73 ASP HB2 H 2.946 0.005 2 705 73 73 ASP HB3 H 2.729 0.005 2 706 73 73 ASP CA C 55.038 0.160 1 707 73 73 ASP CB C 38.107 0.160 1 708 73 73 ASP N N 124.900 0.144 1 709 74 74 GLN H H 7.447 0.005 1 710 74 74 GLN HA H 4.138 0.005 1 711 74 74 GLN HB2 H 1.769 0.005 2 712 74 74 GLN HB3 H 1.472 0.005 2 713 74 74 GLN HG2 H 2.400 0.005 2 714 74 74 GLN HG3 H 2.099 0.005 2 715 74 74 GLN HE21 H 6.702 0.005 2 716 74 74 GLN HE22 H 7.280 0.005 2 717 74 74 GLN CA C 54.810 0.160 1 718 74 74 GLN CB C 27.564 0.160 1 719 74 74 GLN CG C 31.436 0.160 1 720 74 74 GLN N N 117.025 0.144 1 721 74 74 GLN NE2 N 113.586 0.144 1 722 75 75 HIS H H 8.402 0.005 1 723 75 75 HIS HA H 4.716 0.005 1 724 75 75 HIS HB2 H 3.207 0.005 2 725 75 75 HIS HB3 H 2.730 0.005 2 726 75 75 HIS HD2 H 6.093 0.005 1 727 75 75 HIS HE1 H 8.303 0.005 1 728 75 75 HIS CA C 54.066 0.160 1 729 75 75 HIS CB C 28.302 0.160 1 730 75 75 HIS CD2 C 118.448 0.160 1 731 75 75 HIS CE1 C 134.037 0.160 1 732 75 75 HIS N N 116.494 0.144 1 733 76 76 GLY H H 9.091 0.005 1 734 76 76 GLY HA2 H 4.753 0.005 2 735 76 76 GLY HA3 H 4.124 0.005 2 736 76 76 GLY CA C 41.896 0.160 1 737 76 76 GLY N N 112.564 0.144 1 738 77 77 VAL H H 8.927 0.005 1 739 77 77 VAL HA H 3.565 0.005 1 740 77 77 VAL HB H 2.123 0.005 1 741 77 77 VAL HG1 H 1.066 0.005 2 742 77 77 VAL HG2 H 0.925 0.005 2 743 77 77 VAL CA C 64.951 0.160 1 744 77 77 VAL CB C 29.838 0.160 1 745 77 77 VAL CG1 C 20.032 0.160 2 746 77 77 VAL CG2 C 18.704 0.160 2 747 77 77 VAL N N 124.763 0.144 1 748 78 78 GLU H H 8.781 0.005 1 749 78 78 GLU HA H 4.148 0.005 1 750 78 78 GLU HB2 H 2.130 0.005 2 751 78 78 GLU HB3 H 2.233 0.005 2 752 78 78 GLU HG2 H 2.429 0.005 1 753 78 78 GLU HG3 H 2.429 0.005 1 754 78 78 GLU CA C 58.316 0.160 1 755 78 78 GLU CB C 26.459 0.160 1 756 78 78 GLU CG C 34.616 0.160 1 757 78 78 GLU N N 124.388 0.144 1 758 79 79 GLU H H 9.231 0.005 1 759 79 79 GLU HA H 4.188 0.005 1 760 79 79 GLU HB2 H 2.124 0.005 2 761 79 79 GLU HB3 H 2.192 0.005 2 762 79 79 GLU HG2 H 2.493 0.005 2 763 79 79 GLU HG3 H 2.617 0.005 2 764 79 79 GLU CA C 56.545 0.160 1 765 79 79 GLU CB C 27.033 0.160 1 766 79 79 GLU CG C 34.431 0.160 1 767 79 79 GLU N N 121.887 0.144 1 768 80 80 THR H H 7.858 0.005 1 769 80 80 THR HA H 4.059 0.005 1 770 80 80 THR HB H 4.244 0.005 1 771 80 80 THR HG2 H 1.255 0.005 1 772 80 80 THR CA C 65.487 0.160 1 773 80 80 THR CB C 64.369 0.160 1 774 80 80 THR CG2 C 19.770 0.160 1 775 80 80 THR N N 120.781 0.144 1 776 81 81 GLN H H 8.765 0.005 1 777 81 81 GLN HA H 4.044 0.005 1 778 81 81 GLN HB2 H 2.406 0.005 1 779 81 81 GLN HB3 H 2.406 0.005 1 780 81 81 GLN HG2 H 2.649 0.005 2 781 81 81 GLN HG3 H 2.317 0.005 2 782 81 81 GLN HE21 H 6.993 0.005 1 783 81 81 GLN HE22 H 6.993 0.005 1 784 81 81 GLN CA C 56.969 0.160 1 785 81 81 GLN CB C 26.077 0.160 1 786 81 81 GLN CG C 31.878 0.160 1 787 81 81 GLN N N 125.303 0.144 1 788 81 81 GLN NE2 N 112.917 0.144 1 789 82 82 LYS H H 7.521 0.005 1 790 82 82 LYS HA H 4.089 0.005 1 791 82 82 LYS HB2 H 2.045 0.005 2 792 82 82 LYS HB3 H 1.967 0.005 2 793 82 82 LYS HG2 H 1.691 0.005 2 794 82 82 LYS HG3 H 1.486 0.005 2 795 82 82 LYS HD2 H 1.749 0.005 1 796 82 82 LYS HD3 H 1.749 0.005 1 797 82 82 LYS HE2 H 3.049 0.005 1 798 82 82 LYS HE3 H 3.049 0.005 1 799 82 82 LYS CA C 57.312 0.160 1 800 82 82 LYS CB C 30.154 0.160 1 801 82 82 LYS CG C 22.782 0.160 1 802 82 82 LYS CD C 26.820 0.160 1 803 82 82 LYS CE C 39.840 0.160 1 804 82 82 LYS N N 120.458 0.144 1 805 83 83 ALA H H 7.782 0.005 1 806 83 83 ALA HA H 4.217 0.005 1 807 83 83 ALA HB H 1.433 0.005 1 808 83 83 ALA CA C 52.442 0.160 1 809 83 83 ALA CB C 15.287 0.160 1 810 83 83 ALA N N 125.234 0.144 1 811 84 84 LEU H H 8.590 0.005 1 812 84 84 LEU HA H 4.058 0.005 1 813 84 84 LEU HB2 H 1.978 0.005 2 814 84 84 LEU HB3 H 1.458 0.005 2 815 84 84 LEU HG H 1.835 0.005 1 816 84 84 LEU HD1 H 0.822 0.005 2 817 84 84 LEU HD2 H 0.833 0.005 2 818 84 84 LEU CA C 55.499 0.160 1 819 84 84 LEU CB C 39.308 0.160 1 820 84 84 LEU CG C 24.403 0.160 1 821 84 84 LEU CD1 C 24.028 0.160 2 822 84 84 LEU CD2 C 20.593 0.160 2 823 84 84 LEU N N 123.348 0.144 1 824 85 85 LEU H H 7.892 0.005 1 825 85 85 LEU HA H 4.170 0.005 1 826 85 85 LEU HB2 H 1.730 0.005 2 827 85 85 LEU HB3 H 2.008 0.005 2 828 85 85 LEU HG H 1.971 0.005 1 829 85 85 LEU HD1 H 1.008 0.005 2 830 85 85 LEU HD2 H 1.060 0.005 2 831 85 85 LEU CA C 55.396 0.160 1 832 85 85 LEU CB C 38.741 0.160 1 833 85 85 LEU CG C 24.903 0.160 1 834 85 85 LEU CD1 C 20.869 0.160 2 835 85 85 LEU CD2 C 22.776 0.160 2 836 85 85 LEU N N 122.872 0.144 1 837 86 86 GLU H H 8.124 0.005 1 838 86 86 GLU HA H 4.085 0.005 1 839 86 86 GLU HB2 H 2.073 0.005 2 840 86 86 GLU HB3 H 2.169 0.005 2 841 86 86 GLU HG2 H 2.518 0.005 2 842 86 86 GLU HG3 H 2.263 0.005 2 843 86 86 GLU CA C 56.745 0.160 1 844 86 86 GLU CB C 26.903 0.160 1 845 86 86 GLU CG C 34.274 0.160 1 846 86 86 GLU N N 122.713 0.144 1 847 87 87 ALA H H 7.765 0.005 1 848 87 87 ALA HA H 4.141 0.005 1 849 87 87 ALA HB H 1.539 0.005 1 850 87 87 ALA CA C 52.268 0.160 1 851 87 87 ALA CB C 15.632 0.160 1 852 87 87 ALA N N 123.163 0.144 1 853 88 88 GLU H H 7.846 0.005 1 854 88 88 GLU HA H 4.084 0.005 1 855 88 88 GLU HB2 H 2.083 0.005 2 856 88 88 GLU HB3 H 2.363 0.005 2 857 88 88 GLU HG2 H 2.629 0.005 2 858 88 88 GLU HG3 H 2.211 0.005 2 859 88 88 GLU CA C 56.935 0.160 1 860 88 88 GLU CB C 28.027 0.160 1 861 88 88 GLU CG C 34.575 0.160 1 862 88 88 GLU N N 121.945 0.144 1 863 89 89 GLU H H 7.634 0.005 1 864 89 89 GLU HA H 4.093 0.005 1 865 89 89 GLU HB2 H 2.213 0.005 1 866 89 89 GLU HB3 H 2.213 0.005 1 867 89 89 GLU HG2 H 2.524 0.005 2 868 89 89 GLU HG3 H 2.396 0.005 2 869 89 89 GLU CA C 55.214 0.160 1 870 89 89 GLU CB C 27.407 0.160 1 871 89 89 GLU CG C 34.322 0.160 1 872 89 89 GLU N N 117.978 0.144 1 873 90 90 LYS H H 7.247 0.005 1 874 90 90 LYS HA H 4.431 0.005 1 875 90 90 LYS HB2 H 2.101 0.005 2 876 90 90 LYS HB3 H 1.818 0.005 2 877 90 90 LYS HG2 H 1.529 0.005 2 878 90 90 LYS HG3 H 1.625 0.005 2 879 90 90 LYS HD2 H 1.746 0.005 1 880 90 90 LYS HD3 H 1.746 0.005 1 881 90 90 LYS HE2 H 3.049 0.005 1 882 90 90 LYS HE3 H 3.049 0.005 1 883 90 90 LYS CA C 53.018 0.160 1 884 90 90 LYS CB C 31.031 0.160 1 885 90 90 LYS CG C 22.768 0.160 1 886 90 90 LYS CD C 26.999 0.160 1 887 90 90 LYS CE C 39.871 0.160 1 888 90 90 LYS N N 117.519 0.144 1 889 91 91 ASP H H 7.370 0.005 1 890 91 91 ASP HA H 4.683 0.005 1 891 91 91 ASP HB2 H 2.645 0.005 2 892 91 91 ASP HB3 H 3.216 0.005 2 893 91 91 ASP CA C 51.199 0.160 1 894 91 91 ASP CB C 39.581 0.160 1 895 91 91 ASP N N 124.888 0.144 1 896 92 92 LYS H H 8.795 0.005 1 897 92 92 LYS HA H 4.013 0.005 1 898 92 92 LYS HB2 H 1.988 0.005 1 899 92 92 LYS HB3 H 1.988 0.005 1 900 92 92 LYS HG2 H 1.673 0.005 1 901 92 92 LYS HG3 H 1.673 0.005 1 902 92 92 LYS HD2 H 1.749 0.005 1 903 92 92 LYS HD3 H 1.749 0.005 1 904 92 92 LYS HE2 H 3.061 0.005 1 905 92 92 LYS HE3 H 3.061 0.005 1 906 92 92 LYS CA C 57.216 0.160 1 907 92 92 LYS CB C 30.015 0.160 1 908 92 92 LYS CG C 22.780 0.160 1 909 92 92 LYS CD C 26.842 0.160 1 910 92 92 LYS CE C 39.883 0.160 1 911 92 92 LYS N N 129.311 0.144 1 912 93 93 SER H H 8.488 0.005 1 913 93 93 SER HA H 4.439 0.005 1 914 93 93 SER HB2 H 4.081 0.005 1 915 93 93 SER HB3 H 4.081 0.005 1 916 93 93 SER CA C 58.945 0.160 1 917 93 93 SER CB C 60.278 0.160 1 918 93 93 SER N N 118.112 0.144 1 919 94 94 ILE H H 7.722 0.005 1 920 94 94 ILE HA H 3.482 0.005 1 921 94 94 ILE HB H 2.153 0.005 1 922 94 94 ILE HG12 H 1.463 0.005 2 923 94 94 ILE HG13 H 0.499 0.005 2 924 94 94 ILE HG2 H 0.834 0.005 1 925 94 94 ILE HD1 H 0.766 0.005 1 926 94 94 ILE CA C 62.349 0.160 1 927 94 94 ILE CB C 34.753 0.160 1 928 94 94 ILE CG1 C 26.663 0.160 1 929 94 94 ILE CG2 C 15.468 0.160 1 930 94 94 ILE CD1 C 10.157 0.160 1 931 94 94 ILE N N 128.950 0.144 1 932 95 95 ILE H H 8.378 0.005 1 933 95 95 ILE HA H 3.595 0.005 1 934 95 95 ILE HB H 1.894 0.005 1 935 95 95 ILE HG12 H 1.733 0.005 2 936 95 95 ILE HG13 H 1.149 0.005 2 937 95 95 ILE HG2 H 0.951 0.005 1 938 95 95 ILE HD1 H 0.844 0.005 1 939 95 95 ILE CA C 62.747 0.160 1 940 95 95 ILE CB C 35.972 0.160 1 941 95 95 ILE CG1 C 26.680 0.160 1 942 95 95 ILE CG2 C 14.857 0.160 1 943 95 95 ILE CD1 C 10.984 0.160 1 944 95 95 ILE N N 123.598 0.144 1 945 96 96 GLU H H 7.680 0.005 1 946 96 96 GLU HA H 3.984 0.005 1 947 96 96 GLU HB2 H 2.105 0.005 1 948 96 96 GLU HB3 H 2.105 0.005 1 949 96 96 GLU HG2 H 2.440 0.005 1 950 96 96 GLU HG3 H 2.440 0.005 1 951 96 96 GLU CA C 56.495 0.160 1 952 96 96 GLU CB C 27.173 0.160 1 953 96 96 GLU CG C 33.900 0.160 1 954 96 96 GLU N N 118.317 0.144 1 955 97 97 ALA H H 7.383 0.005 1 956 97 97 ALA HA H 3.825 0.005 1 957 97 97 ALA HB H 0.911 0.005 1 958 97 97 ALA CA C 52.297 0.160 1 959 97 97 ALA CB C 14.989 0.160 1 960 97 97 ALA N N 124.797 0.144 1 961 98 98 ARG H H 8.229 0.005 1 962 98 98 ARG HA H 4.306 0.005 1 963 98 98 ARG HB2 H 2.107 0.005 2 964 98 98 ARG HB3 H 1.801 0.005 2 965 98 98 ARG HG2 H 2.102 0.005 2 966 98 98 ARG HG3 H 1.938 0.005 2 967 98 98 ARG HD2 H 3.197 0.005 2 968 98 98 ARG HD3 H 3.314 0.005 2 969 98 98 ARG CA C 56.490 0.160 1 970 98 98 ARG CB C 28.238 0.160 1 971 98 98 ARG CG C 27.958 0.160 1 972 98 98 ARG CD C 41.783 0.160 1 973 98 98 ARG N N 115.469 0.144 1 974 99 99 LYS H H 7.270 0.005 1 975 99 99 LYS HA H 4.258 0.005 1 976 99 99 LYS HB2 H 2.067 0.005 2 977 99 99 LYS HB3 H 1.939 0.005 2 978 99 99 LYS HG2 H 1.502 0.005 2 979 99 99 LYS HG3 H 1.837 0.005 2 980 99 99 LYS HD2 H 1.632 0.005 1 981 99 99 LYS HD3 H 1.632 0.005 1 982 99 99 LYS HE2 H 2.927 0.005 1 983 99 99 LYS HE3 H 2.927 0.005 1 984 99 99 LYS CA C 55.241 0.160 1 985 99 99 LYS CB C 30.496 0.160 1 986 99 99 LYS CG C 23.417 0.160 1 987 99 99 LYS CD C 26.991 0.160 1 988 99 99 LYS CE C 39.639 0.160 1 989 99 99 LYS N N 120.219 0.144 1 990 100 100 LEU H H 7.837 0.005 1 991 100 100 LEU HA H 4.341 0.005 1 992 100 100 LEU HB2 H 1.613 0.005 2 993 100 100 LEU HB3 H 2.024 0.005 2 994 100 100 LEU HG H 1.827 0.005 1 995 100 100 LEU HD1 H 0.903 0.005 2 996 100 100 LEU HD2 H 0.866 0.005 2 997 100 100 LEU CA C 52.079 0.160 1 998 100 100 LEU CB C 39.131 0.160 1 999 100 100 LEU CG C 24.286 0.160 1 1000 100 100 LEU CD1 C 21.207 0.160 2 1001 100 100 LEU CD2 C 23.757 0.160 2 1002 100 100 LEU N N 123.800 0.144 1 1003 101 101 ALA H H 8.213 0.005 1 1004 101 101 ALA HA H 4.376 0.005 1 1005 101 101 ALA HB H 1.448 0.005 1 1006 101 101 ALA CA C 50.404 0.160 1 1007 101 101 ALA CB C 15.796 0.160 1 1008 101 101 ALA N N 130.512 0.144 1 1009 102 102 GLY H H 8.738 0.005 1 1010 102 102 GLY HA2 H 4.235 0.005 2 1011 102 102 GLY HA3 H 3.841 0.005 2 1012 102 102 GLY CA C 43.893 0.160 1 1013 102 102 GLY N N 110.659 0.144 1 1014 103 103 PHE H H 7.514 0.005 1 1015 103 103 PHE HA H 5.220 0.005 1 1016 103 103 PHE HB2 H 3.172 0.005 2 1017 103 103 PHE HB3 H 2.708 0.005 2 1018 103 103 PHE HD1 H 6.926 0.005 3 1019 103 103 PHE HD2 H 6.926 0.005 3 1020 103 103 PHE HE1 H 6.941 0.005 3 1021 103 103 PHE HE2 H 6.941 0.005 3 1022 103 103 PHE HZ H 7.085 0.005 1 1023 103 103 PHE CA C 53.768 0.160 1 1024 103 103 PHE CB C 40.574 0.160 1 1025 103 103 PHE CD1 C 129.386 0.160 3 1026 103 103 PHE CD2 C 129.390 0.160 3 1027 103 103 PHE CE1 C 128.637 0.160 3 1028 103 103 PHE CE2 C 128.640 0.160 3 1029 103 103 PHE CZ C 126.482 0.160 1 1030 103 103 PHE N N 123.097 0.144 1 1031 104 104 LYS H H 7.473 0.005 1 1032 104 104 LYS HA H 4.120 0.005 1 1033 104 104 LYS HB2 H 1.453 0.005 2 1034 104 104 LYS HB3 H 1.528 0.005 2 1035 104 104 LYS HG2 H 1.202 0.005 2 1036 104 104 LYS HG3 H 1.306 0.005 2 1037 104 104 LYS HD2 H 1.563 0.005 1 1038 104 104 LYS HD3 H 1.563 0.005 1 1039 104 104 LYS HE2 H 2.879 0.005 1 1040 104 104 LYS HE3 H 2.879 0.005 1 1041 104 104 LYS CA C 52.979 0.160 1 1042 104 104 LYS CB C 34.237 0.160 1 1043 104 104 LYS CG C 22.643 0.160 1 1044 104 104 LYS CD C 26.930 0.160 1 1045 104 104 LYS CE C 39.643 0.160 1 1046 104 104 LYS N N 130.652 0.144 1 1047 105 105 LEU H H 8.393 0.005 1 1048 105 105 LEU HA H 4.996 0.005 1 1049 105 105 LEU HB2 H 1.405 0.005 2 1050 105 105 LEU HB3 H 1.508 0.005 2 1051 105 105 LEU HG H 1.391 0.005 1 1052 105 105 LEU HD1 H 0.919 0.005 2 1053 105 105 LEU HD2 H 0.813 0.005 2 1054 105 105 LEU CA C 51.736 0.160 1 1055 105 105 LEU CB C 43.964 0.160 1 1056 105 105 LEU CG C 25.326 0.160 1 1057 105 105 LEU CD1 C 22.941 0.160 2 1058 105 105 LEU CD2 C 23.884 0.160 2 1059 105 105 LEU N N 127.372 0.144 1 1060 106 106 GLU H H 8.849 0.005 1 1061 106 106 GLU HA H 4.844 0.005 1 1062 106 106 GLU HB2 H 2.007 0.005 2 1063 106 106 GLU HB3 H 1.893 0.005 2 1064 106 106 GLU HG2 H 2.180 0.005 1 1065 106 106 GLU HG3 H 2.005 0.005 2 1066 106 106 GLU CA C 52.790 0.160 1 1067 106 106 GLU CB C 31.628 0.160 1 1068 106 106 GLU CG C 34.632 0.160 1 1069 106 106 GLU N N 129.358 0.144 1 1070 107 107 THR H H 9.433 0.005 1 1071 107 107 THR HA H 5.110 0.005 1 1072 107 107 THR HB H 3.979 0.005 1 1073 107 107 THR HG2 H 1.120 0.005 1 1074 107 107 THR CA C 59.832 0.160 1 1075 107 107 THR CB C 66.671 0.160 1 1076 107 107 THR CG2 C 20.226 0.160 1 1077 107 107 THR N N 131.118 0.144 1 1078 108 108 LYS H H 9.410 0.005 1 1079 108 108 LYS HA H 4.824 0.005 1 1080 108 108 LYS HB2 H 1.794 0.005 2 1081 108 108 LYS HB3 H 1.643 0.005 2 1082 108 108 LYS HG2 H 1.283 0.005 1 1083 108 108 LYS HG3 H 1.283 0.005 1 1084 108 108 LYS HD2 H 1.632 0.005 1 1085 108 108 LYS HD3 H 1.632 0.005 1 1086 108 108 LYS HE2 H 2.927 0.005 1 1087 108 108 LYS HE3 H 2.927 0.005 1 1088 108 108 LYS CA C 52.194 0.160 1 1089 108 108 LYS CB C 34.388 0.160 1 1090 108 108 LYS CG C 22.336 0.160 1 1091 108 108 LYS CD C 26.923 0.160 1 1092 108 108 LYS CE C 39.769 0.160 1 1093 108 108 LYS N N 129.114 0.144 1 1094 109 109 LEU H H 8.862 0.005 1 1095 109 109 LEU HA H 4.704 0.005 1 1096 109 109 LEU HB2 H 1.911 0.005 2 1097 109 109 LEU HB3 H 1.311 0.005 2 1098 109 109 LEU HG H 1.657 0.005 1 1099 109 109 LEU HD1 H 1.016 0.005 2 1100 109 109 LEU HD2 H 0.990 0.005 2 1101 109 109 LEU CA C 52.108 0.160 1 1102 109 109 LEU CB C 39.655 0.160 1 1103 109 109 LEU CG C 24.545 0.160 1 1104 109 109 LEU CD1 C 22.892 0.160 2 1105 109 109 LEU CD2 C 24.344 0.160 2 1106 109 109 LEU N N 129.323 0.144 1 1107 110 110 LEU H H 8.373 0.005 1 1108 110 110 LEU HA H 4.223 0.005 1 1109 110 110 LEU HB2 H 1.612 0.005 2 1110 110 110 LEU HB3 H 1.719 0.005 2 1111 110 110 LEU HG H 1.594 0.005 1 1112 110 110 LEU HD1 H 0.797 0.005 2 1113 110 110 LEU HD2 H 0.873 0.005 2 1114 110 110 LEU CA C 53.782 0.160 1 1115 110 110 LEU CB C 40.661 0.160 1 1116 110 110 LEU CG C 24.500 0.160 1 1117 110 110 LEU CD1 C 20.007 0.160 2 1118 110 110 LEU CD2 C 23.088 0.160 2 1119 110 110 LEU N N 129.123 0.144 1 1120 111 111 SER H H 8.400 0.005 1 1121 111 111 SER HA H 4.557 0.005 1 1122 111 111 SER HB2 H 4.149 0.005 2 1123 111 111 SER HB3 H 4.221 0.005 2 1124 111 111 SER CA C 53.889 0.160 1 1125 111 111 SER CB C 61.830 0.160 1 1126 111 111 SER N N 114.587 0.144 1 1127 112 112 ALA H H 8.556 0.005 1 1128 112 112 ALA HA H 4.309 0.005 1 1129 112 112 ALA HB H 1.542 0.005 1 1130 112 112 ALA CA C 51.214 0.160 1 1131 112 112 ALA CB C 16.588 0.160 1 1132 112 112 ALA N N 118.269 0.144 1 1133 113 113 THR H H 8.065 0.005 1 1134 113 113 THR HA H 4.662 0.005 1 1135 113 113 THR HB H 4.515 0.005 1 1136 113 113 THR HG2 H 1.172 0.005 1 1137 113 113 THR CA C 58.689 0.160 1 1138 113 113 THR CB C 67.905 0.160 1 1139 113 113 THR CG2 C 19.687 0.160 1 1140 113 113 THR N N 102.878 0.144 1 1141 114 114 GLU H H 7.357 0.005 1 1142 114 114 GLU HA H 5.014 0.005 1 1143 114 114 GLU HB2 H 1.892 0.005 1 1144 114 114 GLU HB3 H 1.892 0.005 1 1145 114 114 GLU HG2 H 2.034 0.005 2 1146 114 114 GLU HG3 H 2.217 0.005 2 1147 114 114 GLU CA C 54.007 0.160 1 1148 114 114 GLU CB C 32.913 0.160 1 1149 114 114 GLU CG C 34.662 0.160 1 1150 114 114 GLU N N 126.514 0.144 1 1151 115 115 LEU H H 8.930 0.005 1 1152 115 115 LEU HA H 4.922 0.005 1 1153 115 115 LEU HB2 H 1.721 0.005 2 1154 115 115 LEU HB3 H 1.415 0.005 2 1155 115 115 LEU HG H 1.531 0.005 1 1156 115 115 LEU HD1 H 0.821 0.005 2 1157 115 115 LEU HD2 H 0.827 0.005 2 1158 115 115 LEU CA C 51.324 0.160 1 1159 115 115 LEU CB C 44.139 0.160 1 1160 115 115 LEU CG C 24.838 0.160 1 1161 115 115 LEU CD1 C 22.663 0.160 2 1162 115 115 LEU CD2 C 23.783 0.160 2 1163 115 115 LEU N N 128.058 0.144 1 1164 116 116 GLN H H 9.221 0.005 1 1165 116 116 GLN HA H 5.715 0.005 1 1166 116 116 GLN HB2 H 2.146 0.005 2 1167 116 116 GLN HB3 H 1.961 0.005 2 1168 116 116 GLN HG2 H 1.960 0.005 1 1169 116 116 GLN HG3 H 1.960 0.005 1 1170 116 116 GLN HE21 H 7.140 0.005 2 1171 116 116 GLN HE22 H 6.673 0.005 2 1172 116 116 GLN CA C 51.700 0.160 1 1173 116 116 GLN CB C 32.292 0.160 1 1174 116 116 GLN CG C 32.807 0.160 1 1175 116 116 GLN N N 126.540 0.144 1 1176 116 116 GLN NE2 N 111.244 0.144 1 1177 117 117 THR H H 9.030 0.005 1 1178 117 117 THR HA H 5.353 0.005 1 1179 117 117 THR HB H 3.959 0.005 1 1180 117 117 THR HG2 H 1.290 0.005 1 1181 117 117 THR CA C 58.926 0.160 1 1182 117 117 THR CB C 68.948 0.160 1 1183 117 117 THR CG2 C 19.511 0.160 1 1184 117 117 THR N N 125.213 0.144 1 1185 118 118 THR H H 9.459 0.005 1 1186 118 118 THR HA H 5.527 0.005 1 1187 118 118 THR HB H 4.701 0.005 1 1188 118 118 THR HG2 H 1.077 0.005 1 1189 118 118 THR CA C 59.201 0.160 1 1190 118 118 THR CB C 67.721 0.160 1 1191 118 118 THR CG2 C 18.662 0.160 1 1192 118 118 THR N N 127.799 0.144 1 1193 119 119 THR H H 9.147 0.005 1 1194 119 119 THR HA H 4.885 0.005 1 1195 119 119 THR HB H 3.949 0.005 1 1196 119 119 THR HG2 H 1.095 0.005 1 1197 119 119 THR CA C 58.463 0.160 1 1198 119 119 THR CB C 67.459 0.160 1 1199 119 119 THR CG2 C 20.855 0.160 1 1200 119 119 THR N N 129.258 0.144 1 1201 120 120 SER H H 8.786 0.005 1 1202 120 120 SER HA H 5.328 0.005 1 1203 120 120 SER HB2 H 3.557 0.005 1 1204 120 120 SER HB3 H 3.557 0.005 1 1205 120 120 SER CA C 54.386 0.160 1 1206 120 120 SER CB C 63.031 0.160 1 1207 120 120 SER N N 123.389 0.144 1 1208 121 121 PHE H H 8.831 0.005 1 1209 121 121 PHE HA H 5.112 0.005 1 1210 121 121 PHE HB2 H 2.401 0.005 2 1211 121 121 PHE HB3 H 2.167 0.005 2 1212 121 121 PHE HD1 H 7.251 0.005 3 1213 121 121 PHE HD2 H 7.251 0.005 3 1214 121 121 PHE HE1 H 7.250 0.005 3 1215 121 121 PHE HE2 H 7.250 0.005 3 1216 121 121 PHE HZ H 7.287 0.005 1 1217 121 121 PHE CA C 53.192 0.160 1 1218 121 121 PHE CB C 40.265 0.160 1 1219 121 121 PHE CD1 C 130.164 0.160 3 1220 121 121 PHE CD2 C 130.160 0.160 3 1221 121 121 PHE CE1 C 128.175 0.160 3 1222 121 121 PHE CE2 C 128.175 0.160 3 1223 121 121 PHE CZ C 126.640 0.160 1 1224 121 121 PHE N N 121.245 0.144 1 1225 122 122 ASP H H 8.819 0.005 1 1226 122 122 ASP HA H 4.840 0.005 1 1227 122 122 ASP HB2 H 2.992 0.005 2 1228 122 122 ASP HB3 H 2.560 0.005 2 1229 122 122 ASP CA C 49.837 0.160 1 1230 122 122 ASP CB C 38.485 0.160 1 1231 122 122 ASP N N 124.765 0.144 1 1232 123 123 PHE H H 8.262 0.005 1 1233 123 123 PHE HA H 4.674 0.005 1 1234 123 123 PHE HB2 H 3.594 0.005 2 1235 123 123 PHE HB3 H 2.879 0.005 2 1236 123 123 PHE HD1 H 7.064 0.005 3 1237 123 123 PHE HD2 H 7.064 0.005 3 1238 123 123 PHE HE1 H 6.888 0.005 3 1239 123 123 PHE HE2 H 6.888 0.005 3 1240 123 123 PHE HZ H 6.574 0.005 1 1241 123 123 PHE CA C 57.798 0.160 1 1242 123 123 PHE CB C 35.540 0.160 1 1243 123 123 PHE CD1 C 128.447 0.160 3 1244 123 123 PHE CD2 C 128.450 0.160 3 1245 123 123 PHE CE1 C 128.427 0.160 3 1246 123 123 PHE CE2 C 128.430 0.160 3 1247 123 123 PHE CZ C 126.266 0.160 1 1248 123 123 PHE N N 124.303 0.144 1 1249 124 124 GLN H H 8.954 0.005 1 1250 124 124 GLN HA H 4.434 0.005 1 1251 124 124 GLN HB2 H 2.510 0.005 2 1252 124 124 GLN HB3 H 2.294 0.005 2 1253 124 124 GLN HG2 H 2.381 0.005 2 1254 124 124 GLN HG3 H 2.726 0.005 2 1255 124 124 GLN HE21 H 6.871 0.005 2 1256 124 124 GLN HE22 H 7.949 0.005 2 1257 124 124 GLN CA C 56.083 0.160 1 1258 124 124 GLN CB C 27.129 0.160 1 1259 124 124 GLN CG C 33.606 0.160 1 1260 124 124 GLN N N 120.792 0.144 1 1261 124 124 GLN NE2 N 115.021 0.144 1 1262 125 125 VAL H H 7.026 0.005 1 1263 125 125 VAL HA H 4.409 0.005 1 1264 125 125 VAL HB H 2.026 0.005 1 1265 125 125 VAL HG1 H 0.900 0.005 2 1266 125 125 VAL HG2 H 0.871 0.005 2 1267 125 125 VAL CA C 59.298 0.160 1 1268 125 125 VAL CB C 32.572 0.160 1 1269 125 125 VAL CG1 C 18.876 0.160 2 1270 125 125 VAL CG2 C 17.564 0.160 2 1271 125 125 VAL N N 114.091 0.144 1 1272 126 126 LEU H H 8.106 0.005 1 1273 126 126 LEU HA H 4.475 0.005 1 1274 126 126 LEU HB2 H 1.716 0.005 2 1275 126 126 LEU HB3 H 1.818 0.005 2 1276 126 126 LEU HG H 1.510 0.005 1 1277 126 126 LEU HD1 H 1.000 0.005 2 1278 126 126 LEU HD2 H 1.136 0.005 2 1279 126 126 LEU CA C 53.175 0.160 1 1280 126 126 LEU CB C 42.054 0.160 1 1281 126 126 LEU CG C 24.280 0.160 1 1282 126 126 LEU CD1 C 25.880 0.160 2 1283 126 126 LEU CD2 C 22.472 0.160 2 1284 126 126 LEU N N 125.158 0.144 1 1285 127 127 ASP H H 9.129 0.005 1 1286 127 127 ASP HA H 4.841 0.005 1 1287 127 127 ASP HB2 H 3.061 0.005 2 1288 127 127 ASP HB3 H 2.742 0.005 2 1289 127 127 ASP CA C 50.198 0.160 1 1290 127 127 ASP CB C 37.689 0.160 1 1291 127 127 ASP N N 130.026 0.144 1 1292 128 128 VAL H H 8.288 0.005 1 1293 128 128 VAL HA H 3.524 0.005 1 1294 128 128 VAL HB H 2.091 0.005 1 1295 128 128 VAL HG1 H 1.067 0.005 2 1296 128 128 VAL HG2 H 0.924 0.005 2 1297 128 128 VAL CA C 63.668 0.160 1 1298 128 128 VAL CB C 29.495 0.160 1 1299 128 128 VAL CG1 C 20.284 0.160 2 1300 128 128 VAL CG2 C 19.138 0.160 2 1301 128 128 VAL N N 128.833 0.144 1 1302 129 129 LYS H H 8.226 0.005 1 1303 129 129 LYS HA H 4.043 0.005 1 1304 129 129 LYS HB2 H 1.924 0.005 2 1305 129 129 LYS HB3 H 2.002 0.005 2 1306 129 129 LYS HG2 H 1.552 0.005 2 1307 129 129 LYS HG3 H 1.467 0.005 2 1308 129 129 LYS HD2 H 1.749 0.005 1 1309 129 129 LYS HD3 H 1.749 0.005 1 1310 129 129 LYS HE2 H 3.049 0.005 1 1311 129 129 LYS HE3 H 3.049 0.005 1 1312 129 129 LYS CA C 56.789 0.160 1 1313 129 129 LYS CB C 28.937 0.160 1 1314 129 129 LYS CG C 22.630 0.160 1 1315 129 129 LYS CD C 26.500 0.160 1 1316 129 129 LYS CE C 39.747 0.160 1 1317 129 129 LYS N N 123.914 0.144 1 1318 130 130 LYS H H 7.590 0.005 1 1319 130 130 LYS HA H 4.085 0.005 1 1320 130 130 LYS HB2 H 1.802 0.005 2 1321 130 130 LYS HB3 H 1.841 0.005 2 1322 130 130 LYS HG2 H 1.529 0.005 2 1323 130 130 LYS HG3 H 1.407 0.005 2 1324 130 130 LYS HD2 H 1.748 0.005 1 1325 130 130 LYS HD3 H 1.748 0.005 1 1326 130 130 LYS HE2 H 3.049 0.005 1 1327 130 130 LYS HE3 H 3.049 0.005 1 1328 130 130 LYS CA C 56.146 0.160 1 1329 130 130 LYS CB C 30.340 0.160 1 1330 130 130 LYS CG C 23.164 0.160 1 1331 130 130 LYS CD C 26.722 0.160 1 1332 130 130 LYS CE C 39.865 0.160 1 1333 130 130 LYS N N 121.888 0.144 1 1334 131 131 ALA H H 8.506 0.005 1 1335 131 131 ALA HA H 3.927 0.005 1 1336 131 131 ALA HB H 1.389 0.005 1 1337 131 131 ALA CA C 52.402 0.160 1 1338 131 131 ALA CB C 16.447 0.160 1 1339 131 131 ALA N N 123.088 0.144 1 1340 132 132 SER H H 7.986 0.005 1 1341 132 132 SER HA H 4.117 0.005 1 1342 132 132 SER HB2 H 3.991 0.005 2 1343 132 132 SER HB3 H 4.060 0.005 2 1344 132 132 SER CA C 58.289 0.160 1 1345 132 132 SER CB C 61.034 0.160 1 1346 132 132 SER N N 110.456 0.144 1 1347 133 133 GLN H H 7.233 0.005 1 1348 133 133 GLN HA H 4.402 0.005 1 1349 133 133 GLN HB2 H 2.371 0.005 2 1350 133 133 GLN HB3 H 2.045 0.005 2 1351 133 133 GLN HG2 H 2.452 0.005 2 1352 133 133 GLN HG3 H 2.559 0.005 2 1353 133 133 GLN HE21 H 7.406 0.005 2 1354 133 133 GLN HE22 H 6.802 0.005 2 1355 133 133 GLN CA C 52.525 0.160 1 1356 133 133 GLN CB C 27.234 0.160 1 1357 133 133 GLN CG C 31.581 0.160 1 1358 133 133 GLN N N 119.034 0.144 1 1359 133 133 GLN NE2 N 114.775 0.144 1 1360 134 134 LEU H H 7.411 0.005 1 1361 134 134 LEU HA H 4.393 0.005 1 1362 134 134 LEU HB2 H 1.901 0.005 2 1363 134 134 LEU HB3 H 1.791 0.005 2 1364 134 134 LEU HG H 2.020 0.005 1 1365 134 134 LEU HD1 H 0.892 0.005 2 1366 134 134 LEU HD2 H 0.891 0.005 2 1367 134 134 LEU CA C 52.316 0.160 1 1368 134 134 LEU CB C 38.847 0.160 1 1369 134 134 LEU CG C 24.184 0.160 1 1370 134 134 LEU CD1 C 23.993 0.160 2 1371 134 134 LEU CD2 C 20.685 0.160 2 1372 134 134 LEU N N 123.291 0.144 1 1373 135 135 GLU H H 8.986 0.005 1 1374 135 135 GLU HA H 3.946 0.005 1 1375 135 135 GLU HB2 H 2.208 0.005 2 1376 135 135 GLU HB3 H 2.073 0.005 2 1377 135 135 GLU HG2 H 2.398 0.005 1 1378 135 135 GLU HG3 H 2.398 0.005 1 1379 135 135 GLU CA C 57.384 0.160 1 1380 135 135 GLU CB C 27.296 0.160 1 1381 135 135 GLU CG C 33.511 0.160 1 1382 135 135 GLU N N 128.446 0.144 1 1383 136 136 HIS H H 9.226 0.005 1 1384 136 136 HIS HA H 4.383 0.005 1 1385 136 136 HIS HB2 H 3.119 0.005 2 1386 136 136 HIS HB3 H 2.663 0.005 2 1387 136 136 HIS HD2 H 6.648 0.005 1 1388 136 136 HIS HE1 H 7.814 0.005 1 1389 136 136 HIS CA C 56.685 0.160 1 1390 136 136 HIS CB C 28.413 0.160 1 1391 136 136 HIS CD2 C 118.457 0.160 1 1392 136 136 HIS CE1 C 136.930 0.160 1 1393 136 136 HIS N N 117.593 0.144 1 1394 137 137 LEU H H 7.090 0.005 1 1395 137 137 LEU HA H 4.507 0.005 1 1396 137 137 LEU HB2 H 2.034 0.005 2 1397 137 137 LEU HB3 H 1.641 0.005 2 1398 137 137 LEU HG H 1.486 0.005 1 1399 137 137 LEU HD1 H 0.916 0.005 2 1400 137 137 LEU HD2 H 1.016 0.005 2 1401 137 137 LEU CA C 51.948 0.160 1 1402 137 137 LEU CB C 39.807 0.160 1 1403 137 137 LEU CG C 25.396 0.160 1 1404 137 137 LEU CD1 C 23.414 0.160 2 1405 137 137 LEU CD2 C 21.834 0.160 2 1406 137 137 LEU N N 115.463 0.144 1 1407 138 138 LYS H H 7.698 0.005 1 1408 138 138 LYS HA H 4.169 0.005 1 1409 138 138 LYS HB2 H 1.850 0.005 2 1410 138 138 LYS HB3 H 1.950 0.005 2 1411 138 138 LYS HG2 H 1.496 0.005 1 1412 138 138 LYS HG3 H 1.496 0.005 1 1413 138 138 LYS HD2 H 1.715 0.005 1 1414 138 138 LYS HD3 H 1.715 0.005 1 1415 138 138 LYS HE2 H 3.024 0.005 1 1416 138 138 LYS HE3 H 3.024 0.005 1 1417 138 138 LYS CA C 57.158 0.160 1 1418 138 138 LYS CB C 30.088 0.160 1 1419 138 138 LYS CG C 22.192 0.160 1 1420 138 138 LYS CD C 27.130 0.160 1 1421 138 138 LYS CE C 39.814 0.160 1 1422 138 138 LYS N N 124.686 0.144 1 1423 139 139 ASN H H 8.485 0.005 1 1424 139 139 ASN HA H 4.673 0.005 1 1425 139 139 ASN HB2 H 2.907 0.005 2 1426 139 139 ASN HB3 H 2.837 0.005 2 1427 139 139 ASN HD21 H 7.567 0.005 2 1428 139 139 ASN HD22 H 6.898 0.005 2 1429 139 139 ASN CA C 51.782 0.160 1 1430 139 139 ASN CB C 35.817 0.160 1 1431 139 139 ASN N N 118.077 0.144 1 1432 139 139 ASN ND2 N 114.916 0.144 1 1433 140 140 ILE H H 7.549 0.005 1 1434 140 140 ILE HA H 4.030 0.005 1 1435 140 140 ILE HB H 1.954 0.005 1 1436 140 140 ILE HG12 H 1.385 0.005 2 1437 140 140 ILE HG13 H 1.606 0.005 2 1438 140 140 ILE HG2 H 0.812 0.005 1 1439 140 140 ILE HD1 H 1.030 0.005 1 1440 140 140 ILE CA C 59.566 0.160 1 1441 140 140 ILE CB C 35.774 0.160 1 1442 140 140 ILE CG1 C 25.902 0.160 1 1443 140 140 ILE CG2 C 14.891 0.160 1 1444 140 140 ILE CD1 C 10.931 0.160 1 1445 140 140 ILE N N 120.880 0.144 1 1446 141 141 GLY H H 7.663 0.005 1 1447 141 141 GLY HA2 H 3.975 0.005 2 1448 141 141 GLY HA3 H 4.057 0.005 2 1449 141 141 GLY CA C 44.664 0.160 1 1450 141 141 GLY N N 110.676 0.144 1 1451 142 142 LEU H H 8.496 0.005 1 1452 142 142 LEU HA H 3.693 0.005 1 1453 142 142 LEU HB2 H 1.271 0.005 2 1454 142 142 LEU HB3 H 1.519 0.005 2 1455 142 142 LEU HG H 1.429 0.005 1 1456 142 142 LEU HD1 H 0.566 0.005 2 1457 142 142 LEU HD2 H 0.382 0.005 2 1458 142 142 LEU CA C 55.193 0.160 1 1459 142 142 LEU CB C 40.609 0.160 1 1460 142 142 LEU CG C 24.376 0.160 1 1461 142 142 LEU CD1 C 22.632 0.160 2 1462 142 142 LEU CD2 C 20.933 0.160 2 1463 142 142 LEU N N 123.857 0.144 1 1464 143 143 GLU H H 8.672 0.005 1 1465 143 143 GLU HA H 3.786 0.005 1 1466 143 143 GLU HB2 H 1.943 0.005 1 1467 143 143 GLU HB3 H 1.943 0.005 1 1468 143 143 GLU HG2 H 2.258 0.005 2 1469 143 143 GLU HG3 H 2.108 0.005 2 1470 143 143 GLU CA C 57.222 0.160 1 1471 143 143 GLU CB C 26.513 0.160 1 1472 143 143 GLU CG C 34.408 0.160 1 1473 143 143 GLU N N 118.407 0.144 1 1474 144 144 ASN H H 7.656 0.005 1 1475 144 144 ASN HA H 4.442 0.005 1 1476 144 144 ASN HB2 H 2.802 0.005 1 1477 144 144 ASN HB3 H 2.802 0.005 1 1478 144 144 ASN CA C 52.712 0.160 1 1479 144 144 ASN CB C 35.955 0.160 1 1480 144 144 ASN N N 118.477 0.144 1 1481 145 145 LEU H H 7.758 0.005 1 1482 145 145 LEU HA H 3.797 0.005 1 1483 145 145 LEU HB2 H 1.388 0.005 2 1484 145 145 LEU HB3 H 1.438 0.005 2 1485 145 145 LEU HG H 0.888 0.005 1 1486 145 145 LEU HD1 H 0.142 0.005 2 1487 145 145 LEU HD2 H 0.269 0.005 2 1488 145 145 LEU CA C 56.323 0.160 1 1489 145 145 LEU CB C 39.573 0.160 1 1490 145 145 LEU CG C 24.426 0.160 1 1491 145 145 LEU CD1 C 22.804 0.160 2 1492 145 145 LEU CD2 C 22.502 0.160 2 1493 145 145 LEU N N 125.354 0.144 1 1494 146 146 LEU H H 7.242 0.005 1 1495 146 146 LEU HA H 3.876 0.005 1 1496 146 146 LEU HB2 H 1.508 0.005 1 1497 146 146 LEU HB3 H 1.508 0.005 1 1498 146 146 LEU HG H 1.300 0.005 1 1499 146 146 LEU HD1 H 0.482 0.005 2 1500 146 146 LEU HD2 H -0.098 0.005 2 1501 146 146 LEU CA C 53.243 0.160 1 1502 146 146 LEU CB C 38.897 0.160 1 1503 146 146 LEU CG C 24.586 0.160 1 1504 146 146 LEU CD1 C 23.193 0.160 2 1505 146 146 LEU CD2 C 19.036 0.160 2 1506 146 146 LEU N N 116.372 0.144 1 1507 147 147 LYS H H 7.185 0.005 1 1508 147 147 LYS HA H 4.312 0.005 1 1509 147 147 LYS HB2 H 1.900 0.005 2 1510 147 147 LYS HB3 H 1.988 0.005 2 1511 147 147 LYS HG2 H 1.651 0.005 2 1512 147 147 LYS HG3 H 1.526 0.005 2 1513 147 147 LYS HD2 H 1.745 0.005 1 1514 147 147 LYS HD3 H 1.745 0.005 1 1515 147 147 LYS HE2 H 3.048 0.005 1 1516 147 147 LYS HE3 H 3.048 0.005 1 1517 147 147 LYS CA C 54.623 0.160 1 1518 147 147 LYS CB C 30.260 0.160 1 1519 147 147 LYS CG C 22.812 0.160 1 1520 147 147 LYS CD C 27.035 0.160 1 1521 147 147 LYS CE C 39.797 0.160 1 1522 147 147 LYS N N 120.054 0.144 1 1523 148 148 ASN H H 7.698 0.005 1 1524 148 148 ASN HA H 4.962 0.005 1 1525 148 148 ASN HB2 H 2.938 0.005 2 1526 148 148 ASN HB3 H 2.763 0.005 2 1527 148 148 ASN HD21 H 7.662 0.005 2 1528 148 148 ASN HD22 H 7.203 0.005 2 1529 148 148 ASN CA C 49.774 0.160 1 1530 148 148 ASN CB C 39.486 0.160 1 1531 148 148 ASN N N 119.498 0.144 1 1532 148 148 ASN ND2 N 117.696 0.144 1 1533 149 149 GLU H H 8.767 0.005 1 1534 149 149 GLU HA H 4.601 0.005 1 1535 149 149 GLU HB2 H 1.999 0.005 2 1536 149 149 GLU HB3 H 2.192 0.005 2 1537 149 149 GLU HG2 H 2.480 0.005 2 1538 149 149 GLU HG3 H 2.401 0.005 2 1539 149 149 GLU CA C 52.219 0.160 1 1540 149 149 GLU CB C 26.810 0.160 1 1541 149 149 GLU CG C 34.521 0.160 1 1542 149 149 GLU N N 122.834 0.144 1 1543 150 150 PRO HA H 3.608 0.005 1 1544 150 150 PRO HB2 H 0.475 0.005 2 1545 150 150 PRO HB3 H 0.516 0.005 2 1546 150 150 PRO HG2 H 1.272 0.005 2 1547 150 150 PRO HG3 H 0.242 0.005 2 1548 150 150 PRO HD2 H 3.288 0.005 2 1549 150 150 PRO HD3 H 3.502 0.005 2 1550 150 150 PRO CA C 63.242 0.160 1 1551 150 150 PRO CB C 28.095 0.160 1 1552 150 150 PRO CG C 23.926 0.160 1 1553 150 150 PRO CD C 47.513 0.160 1 1554 151 151 SER H H 8.519 0.005 1 1555 151 151 SER HA H 3.835 0.005 1 1556 151 151 SER HB2 H 3.909 0.005 2 1557 151 151 SER HB3 H 3.932 0.005 2 1558 151 151 SER CA C 59.270 0.160 1 1559 151 151 SER CB C 59.451 0.160 1 1560 151 151 SER N N 112.839 0.144 1 1561 152 152 LYS H H 7.006 0.005 1 1562 152 152 LYS HA H 4.248 0.005 1 1563 152 152 LYS HB2 H 1.983 0.005 2 1564 152 152 LYS HB3 H 2.092 0.005 2 1565 152 152 LYS HG2 H 1.524 0.005 1 1566 152 152 LYS HG3 H 1.524 0.005 1 1567 152 152 LYS HD2 H 1.751 0.005 1 1568 152 152 LYS HD3 H 1.751 0.005 1 1569 152 152 LYS HE2 H 3.048 0.005 1 1570 152 152 LYS HE3 H 3.048 0.005 1 1571 152 152 LYS CA C 55.765 0.160 1 1572 152 152 LYS CB C 30.257 0.160 1 1573 152 152 LYS CG C 23.038 0.160 1 1574 152 152 LYS CD C 27.333 0.160 1 1575 152 152 LYS CE C 39.873 0.160 1 1576 152 152 LYS N N 126.710 0.144 1 1577 153 153 TYR H H 8.058 0.005 1 1578 153 153 TYR HA H 4.258 0.005 1 1579 153 153 TYR HB2 H 3.278 0.005 2 1580 153 153 TYR HB3 H 3.182 0.005 2 1581 153 153 TYR HD1 H 7.097 0.005 1 1582 153 153 TYR HD2 H 7.097 0.005 1 1583 153 153 TYR HE1 H 6.850 0.005 3 1584 153 153 TYR HE2 H 6.850 0.005 3 1585 153 153 TYR CA C 59.309 0.160 1 1586 153 153 TYR CB C 36.334 0.160 1 1587 153 153 TYR CD1 C 130.612 0.160 3 1588 153 153 TYR CD2 C 130.610 0.160 3 1589 153 153 TYR CE1 C 115.656 0.160 3 1590 153 153 TYR CE2 C 115.660 0.160 3 1591 153 153 TYR N N 123.239 0.144 1 1592 154 154 ILE H H 8.193 0.005 1 1593 154 154 ILE HA H 3.373 0.005 1 1594 154 154 ILE HB H 1.894 0.005 1 1595 154 154 ILE HG12 H 1.984 0.005 2 1596 154 154 ILE HG13 H 1.129 0.005 2 1597 154 154 ILE HG2 H 0.974 0.005 1 1598 154 154 ILE HD1 H 0.891 0.005 1 1599 154 154 ILE CA C 63.114 0.160 1 1600 154 154 ILE CB C 35.948 0.160 1 1601 154 154 ILE CG1 C 28.152 0.160 1 1602 154 154 ILE CG2 C 14.967 0.160 1 1603 154 154 ILE CD1 C 11.925 0.160 1 1604 154 154 ILE N N 120.253 0.144 1 1605 155 155 SER H H 8.020 0.005 1 1606 155 155 SER HA H 4.091 0.005 1 1607 155 155 SER HB2 H 4.071 0.005 2 1608 155 155 SER HB3 H 4.107 0.005 2 1609 155 155 SER CA C 59.961 0.160 1 1610 155 155 SER CB C 60.148 0.160 1 1611 155 155 SER N N 117.178 0.144 1 1612 156 156 ASP H H 8.638 0.005 1 1613 156 156 ASP HA H 4.427 0.005 1 1614 156 156 ASP HB2 H 2.598 0.005 2 1615 156 156 ASP HB3 H 2.845 0.005 2 1616 156 156 ASP CA C 54.760 0.160 1 1617 156 156 ASP CB C 37.873 0.160 1 1618 156 156 ASP N N 125.479 0.144 1 1619 157 157 ARG H H 7.888 0.005 1 1620 157 157 ARG HA H 4.111 0.005 1 1621 157 157 ARG HB2 H 1.916 0.005 2 1622 157 157 ARG HB3 H 1.468 0.005 2 1623 157 157 ARG HG2 H 1.122 0.005 2 1624 157 157 ARG HG3 H 1.415 0.005 2 1625 157 157 ARG HD2 H 3.013 0.005 1 1626 157 157 ARG HD3 H 3.013 0.005 1 1627 157 157 ARG CA C 55.928 0.160 1 1628 157 157 ARG CB C 27.816 0.160 1 1629 157 157 ARG CG C 23.311 0.160 1 1630 157 157 ARG CD C 41.022 0.160 1 1631 157 157 ARG N N 121.542 0.144 1 1632 158 158 LEU H H 8.442 0.005 1 1633 158 158 LEU HA H 4.271 0.005 1 1634 158 158 LEU HB2 H 1.982 0.005 2 1635 158 158 LEU HB3 H 1.598 0.005 2 1636 158 158 LEU HG H 1.848 0.005 1 1637 158 158 LEU HD1 H 0.789 0.005 2 1638 158 158 LEU HD2 H 0.905 0.005 2 1639 158 158 LEU CA C 55.213 0.160 1 1640 158 158 LEU CB C 38.945 0.160 1 1641 158 158 LEU CG C 24.500 0.160 1 1642 158 158 LEU CD1 C 20.589 0.160 2 1643 158 158 LEU CD2 C 23.837 0.160 2 1644 158 158 LEU N N 124.257 0.144 1 1645 159 159 ALA H H 8.086 0.005 1 1646 159 159 ALA HA H 4.332 0.005 1 1647 159 159 ALA HB H 1.588 0.005 1 1648 159 159 ALA CA C 51.432 0.160 1 1649 159 159 ALA CB C 15.907 0.160 1 1650 159 159 ALA N N 124.146 0.144 1 1651 160 160 ASN H H 7.445 0.005 1 1652 160 160 ASN HA H 4.992 0.005 1 1653 160 160 ASN HB2 H 3.100 0.005 2 1654 160 160 ASN HB3 H 2.664 0.005 2 1655 160 160 ASN HD21 H 6.940 0.005 2 1656 160 160 ASN HD22 H 7.662 0.005 2 1657 160 160 ASN CA C 50.577 0.160 1 1658 160 160 ASN CB C 37.733 0.160 1 1659 160 160 ASN N N 118.093 0.144 1 1660 160 160 ASN ND2 N 117.046 0.144 1 1661 161 161 GLY H H 7.743 0.005 1 1662 161 161 GLY HA2 H 3.828 0.005 2 1663 161 161 GLY HA3 H 4.472 0.005 2 1664 161 161 GLY CA C 43.646 0.160 1 1665 161 161 GLY N N 108.365 0.144 1 1666 162 162 ALA H H 8.035 0.005 1 1667 162 162 ALA HA H 4.873 0.005 1 1668 162 162 ALA HB H 1.239 0.005 1 1669 162 162 ALA CA C 49.526 0.160 1 1670 162 162 ALA CB C 18.060 0.160 1 1671 162 162 ALA N N 123.928 0.144 1 1672 163 163 THR H H 8.451 0.005 1 1673 163 163 THR HA H 4.703 0.005 1 1674 163 163 THR HB H 4.215 0.005 1 1675 163 163 THR HG2 H 1.275 0.005 1 1676 163 163 THR CA C 57.791 0.160 1 1677 163 163 THR CB C 68.974 0.160 1 1678 163 163 THR CG2 C 19.355 0.160 1 1679 163 163 THR N N 113.286 0.144 1 1680 164 164 GLU H H 8.716 0.005 1 1681 164 164 GLU HA H 5.060 0.005 1 1682 164 164 GLU HB2 H 2.032 0.005 2 1683 164 164 GLU HB3 H 2.159 0.005 2 1684 164 164 GLU HG2 H 2.329 0.005 2 1685 164 164 GLU HG3 H 2.390 0.005 2 1686 164 164 GLU CA C 53.585 0.160 1 1687 164 164 GLU CB C 29.211 0.160 1 1688 164 164 GLU CG C 35.042 0.160 1 1689 164 164 GLU N N 125.905 0.144 1 1690 165 165 GLN H H 8.330 0.005 1 1691 165 165 GLN HA H 4.261 0.005 1 1692 165 165 GLN HB2 H 2.064 0.005 2 1693 165 165 GLN HB3 H 1.817 0.005 2 1694 165 165 GLN HG2 H 2.293 0.005 1 1695 165 165 GLN HG3 H 2.293 0.005 1 1696 165 165 GLN HE21 H 6.738 0.005 2 1697 165 165 GLN HE22 H 7.372 0.005 2 1698 165 165 GLN CA C 54.925 0.160 1 1699 165 165 GLN CB C 29.285 0.160 1 1700 165 165 GLN CG C 32.643 0.160 1 1701 165 165 GLN N N 131.730 0.144 1 1702 165 165 GLN NE2 N 113.649 0.144 1 stop_ save_