data_25157 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Strcucture of Decorin Binding Protein A from strain PBr of Borrelia garinii ; _BMRB_accession_number 25157 _BMRB_flat_file_name bmr25157.str _Entry_type original _Submission_date 2014-08-16 _Accession_date 2014-08-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Xu . . 2 Morgan Ashli . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 781 "13C chemical shifts" 682 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-28 update BMRB 'update entry citation' 2015-03-23 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25156 'Decorin Binding Protein A' stop_ _Original_release_date 2016-09-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Mechanisms Underlying Sequence-Dependent Variations in GAG Affinities of Decorin Binding Protein A, a Borrelia burgdorferi Adhesin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25695518 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Xu . . 2 Morgan Ashli . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_volume 467 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 439 _Page_last 451 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Decorin Binding Protein A' _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 35781.660 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; GLTGETKIRLESSAQEIKDE INKIKANAKKEGVKFEAFTN TQTGSKISEKPEFILKAKIK AIQVAERFVKAIKEEAEKLK KSGSSGAFSAMYDLMIDVSK PLEEIGIQKMTGTVKEAAQK TPATTADGIIAIAQAMEDKL NNVNKKQHDALKNLKEKAKT ATTT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 GLY 2 23 LEU 3 24 THR 4 25 GLY 5 26 GLU 6 27 THR 7 28 LYS 8 29 ILE 9 30 ARG 10 31 LEU 11 32 GLU 12 33 SER 13 34 SER 14 35 ALA 15 36 GLN 16 37 GLU 17 38 ILE 18 39 LYS 19 40 ASP 20 41 GLU 21 42 ILE 22 43 ASN 23 44 LYS 24 45 ILE 25 46 LYS 26 47 ALA 27 48 ASN 28 49 ALA 29 50 LYS 30 51 LYS 31 52 GLU 32 53 GLY 33 54 VAL 34 55 LYS 35 56 PHE 36 57 GLU 37 58 ALA 38 59 PHE 39 60 THR 40 61 ASN 41 62 THR 42 63 GLN 43 64 THR 44 65 GLY 45 66 SER 46 67 LYS 47 68 ILE 48 69 SER 49 70 GLU 50 71 LYS 51 72 PRO 52 73 GLU 53 74 PHE 54 75 ILE 55 76 LEU 56 77 LYS 57 78 ALA 58 79 LYS 59 80 ILE 60 81 LYS 61 82 ALA 62 83 ILE 63 84 GLN 64 85 VAL 65 86 ALA 66 87 GLU 67 88 ARG 68 89 PHE 69 90 VAL 70 91 LYS 71 92 ALA 72 93 ILE 73 94 LYS 74 95 GLU 75 96 GLU 76 97 ALA 77 98 GLU 78 99 LYS 79 100 LEU 80 101 LYS 81 102 LYS 82 103 SER 83 104 GLY 84 105 SER 85 106 SER 86 107 GLY 87 108 ALA 88 109 PHE 89 110 SER 90 111 ALA 91 112 MET 92 113 TYR 93 114 ASP 94 115 LEU 95 116 MET 96 117 ILE 97 118 ASP 98 119 VAL 99 120 SER 100 121 LYS 101 122 PRO 102 123 LEU 103 124 GLU 104 125 GLU 105 126 ILE 106 127 GLY 107 128 ILE 108 129 GLN 109 130 LYS 110 131 MET 111 132 THR 112 133 GLY 113 134 THR 114 135 VAL 115 136 LYS 116 137 GLU 117 138 ALA 118 139 ALA 119 140 GLN 120 141 LYS 121 142 THR 122 143 PRO 123 144 ALA 124 145 THR 125 146 THR 126 147 ALA 127 148 ASP 128 149 GLY 129 150 ILE 130 151 ILE 131 152 ALA 132 153 ILE 133 154 ALA 134 155 GLN 135 156 ALA 136 157 MET 137 158 GLU 138 159 ASP 139 160 LYS 140 161 LEU 141 162 ASN 142 163 ASN 143 164 VAL 144 165 ASN 145 166 LYS 146 167 LYS 147 168 GLN 148 169 HIS 149 170 ASP 150 171 ALA 151 172 LEU 152 173 LYS 153 174 ASN 154 175 LEU 155 176 LYS 156 177 GLU 157 178 LYS 158 179 ALA 159 180 LYS 160 181 THR 161 182 ALA 162 183 THR 163 184 THR 164 185 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity spirochetes 498743 Bacteria . Borrelia garinii PBr dbp stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $entity 'recombinant technology' . Escherichia coli BL21 DE3 pHUE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.8 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample save_ save_3D_1H-13C_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 5.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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_PBr_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _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 22 1 GLY HA2 H 3.51 0.05 2 2 22 1 GLY HA3 H 3.78 0.05 2 3 22 1 GLY C C 184.894 0.50 1 4 22 1 GLY CA C 40.8 0.50 1 5 23 2 LEU H H 8.862 0.05 1 6 23 2 LEU HA H 4.45 0.05 1 7 23 2 LEU HB2 H 1.07 0.05 2 8 23 2 LEU HB3 H 1.58 0.05 2 9 23 2 LEU HG H 0.9 0.05 1 10 23 2 LEU HD1 H 0.89 0.05 2 11 23 2 LEU HD2 H 0.82 0.05 2 12 23 2 LEU C C 178.301 0.50 1 13 23 2 LEU CA C 51.907 0.50 1 14 23 2 LEU CB C 40.685 0.50 1 15 23 2 LEU CG C 24.0 0.50 1 16 23 2 LEU CD1 C 20.8 0.50 2 17 23 2 LEU CD2 C 20.8 0.50 2 18 23 2 LEU N N 121.401 0.50 1 19 24 3 THR H H 8.662 0.05 1 20 24 3 THR HA H 4.63 0.05 1 21 24 3 THR HB H 4.19 0.05 1 22 24 3 THR HG2 H 1.09 0.05 1 23 24 3 THR C C 179.427 0.50 1 24 24 3 THR CA C 57.666 0.50 1 25 24 3 THR CB C 69.91 0.50 1 26 24 3 THR CG2 C 18.7 0.50 1 27 24 3 THR N N 112.555 0.50 1 28 25 4 GLY H H 8.537 0.05 1 29 25 4 GLY HA2 H 3.86 0.05 2 30 25 4 GLY HA3 H 3.99 0.05 2 31 25 4 GLY C C 179.516 0.50 1 32 25 4 GLY CA C 43.9 0.50 1 33 25 4 GLY N N 108.584 0.50 1 34 26 5 GLU H H 8.893 0.05 1 35 26 5 GLU HA H 3.98 0.05 1 36 26 5 GLU HB2 H 2.04 0.05 2 37 26 5 GLU HB3 H 2.06 0.05 2 38 26 5 GLU HG2 H 2.35 0.05 2 39 26 5 GLU HG3 H 2.38 0.05 2 40 26 5 GLU C C 176.555 0.50 1 41 26 5 GLU CA C 56.43 0.50 1 42 26 5 GLU CB C 26.2 0.50 1 43 26 5 GLU CG C 33.11 0.50 1 44 26 5 GLU N N 124.433 0.50 1 45 27 6 THR H H 7.981 0.05 1 46 27 6 THR HA H 3.69 0.05 1 47 27 6 THR HB H 4.15 0.05 1 48 27 6 THR HG2 H 1.22 0.05 1 49 27 6 THR C C 179.362 0.50 1 50 27 6 THR CA C 64.603 0.50 1 51 27 6 THR CB C 66.507 0.50 1 52 27 6 THR CG2 C 20.6 0.50 1 53 27 6 THR N N 117.62 0.50 1 54 28 7 LYS H H 6.871 0.05 1 55 28 7 LYS HA H 3.58 0.05 1 56 28 7 LYS HB2 H 1.75 0.05 2 57 28 7 LYS HB3 H 1.8 0.05 2 58 28 7 LYS HG2 H 1.06 0.05 2 59 28 7 LYS HG3 H 1.16 0.05 2 60 28 7 LYS HD2 H 1.55 0.05 2 61 28 7 LYS HD3 H 1.57 0.05 2 62 28 7 LYS HE2 H 2.94 0.05 2 63 28 7 LYS HE3 H 2.95 0.05 2 64 28 7 LYS C C 177.885 0.50 1 65 28 7 LYS CA C 57.601 0.50 1 66 28 7 LYS CB C 29.957 0.50 1 67 28 7 LYS CG C 21.5 0.50 1 68 28 7 LYS CD C 26.93 0.50 1 69 28 7 LYS CE C 39.52 0.50 1 70 28 7 LYS N N 120.081 0.50 1 71 29 8 ILE H H 7.263 0.05 1 72 29 8 ILE HA H 3.78 0.05 1 73 29 8 ILE HB H 1.77 0.05 1 74 29 8 ILE HG2 H 0.89 0.05 1 75 29 8 ILE HD1 H 0.79 0.05 1 76 29 8 ILE C C 175.116 0.50 1 77 29 8 ILE CA C 61.465 0.50 1 78 29 8 ILE CB C 35.5 0.50 1 79 29 8 ILE CG1 C 26.07 0.50 1 80 29 8 ILE CG2 C 14.28 0.50 1 81 29 8 ILE CD1 C 9.82 0.50 1 82 29 8 ILE N N 116.356 0.50 1 83 30 9 ARG H H 8.575 0.05 1 84 30 9 ARG HA H 4.02 0.05 1 85 30 9 ARG C C 174.544 0.50 1 86 30 9 ARG CA C 57.609 0.50 1 87 30 9 ARG CB C 27.9 0.50 1 88 30 9 ARG N N 120.569 0.50 1 89 31 10 LEU H H 8.216 0.05 1 90 31 10 LEU HA H 4.3 0.05 1 91 31 10 LEU HG H 1.45 0.05 1 92 31 10 LEU C C 177.233 0.50 1 93 31 10 LEU CA C 52.777 0.50 1 94 31 10 LEU CB C 39.799 0.50 1 95 31 10 LEU CG C 24.3 0.50 1 96 31 10 LEU CD1 C 22.0 0.50 2 97 31 10 LEU CD2 C 21.0 0.50 2 98 31 10 LEU N N 115.286 0.50 1 99 32 11 GLU C C 178.077 0.50 1 100 32 11 GLU CA C 53.9 0.50 1 101 32 11 GLU CB C 27.3 0.50 1 102 33 12 SER H H 8.248 0.05 1 103 33 12 SER HA H 4.4 0.05 1 104 33 12 SER HB2 H 3.81 0.05 2 105 33 12 SER HB3 H 3.87 0.05 2 106 33 12 SER CA C 55.811 0.50 1 107 33 12 SER CB C 61.214 0.50 1 108 33 12 SER N N 116.557 0.50 1 109 34 13 SER H H 8.31 0.05 1 110 34 13 SER CA C 56.1 0.50 1 111 34 13 SER CB C 61.2 0.50 1 112 34 13 SER N N 118.1 0.50 1 113 35 14 ALA HA H 3.53 0.05 1 114 35 14 ALA HB H 1.28 0.05 1 115 35 14 ALA C C 175.31 0.50 1 116 35 14 ALA CA C 52.418 0.50 1 117 35 14 ALA CB C 15.71 0.50 1 118 36 15 GLN H H 8.008 0.05 1 119 36 15 GLN HA H 3.67 0.05 1 120 36 15 GLN HB2 H 2.15 0.05 2 121 36 15 GLN HB3 H 2.27 0.05 2 122 36 15 GLN HG2 H 2.53 0.05 2 123 36 15 GLN HG3 H 2.63 0.05 2 124 36 15 GLN C C 177.033 0.50 1 125 36 15 GLN CA C 55.286 0.50 1 126 36 15 GLN CB C 24.995 0.50 1 127 36 15 GLN CG C 30.4 0.50 1 128 36 15 GLN N N 118.274 0.50 1 129 37 16 GLU H H 7.95 0.05 1 130 37 16 GLU HA H 4.11 0.05 1 131 37 16 GLU HB2 H 2.04 0.05 2 132 37 16 GLU HB3 H 2.17 0.05 2 133 37 16 GLU HG2 H 2.38 0.05 2 134 37 16 GLU HG3 H 2.62 0.05 2 135 37 16 GLU C C 174.792 0.50 1 136 37 16 GLU CA C 57.31 0.50 1 137 37 16 GLU CB C 26.75 0.50 1 138 37 16 GLU CG C 33.97 0.50 1 139 37 16 GLU N N 118.33 0.50 1 140 38 17 ILE H H 7.183 0.05 1 141 38 17 ILE HA H 3.52 0.05 1 142 38 17 ILE HB H 1.97 0.05 1 143 38 17 ILE HG2 H 0.9 0.05 1 144 38 17 ILE HD1 H 0.76 0.05 1 145 38 17 ILE C C 177.814 0.50 1 146 38 17 ILE CA C 62.95 0.50 1 147 38 17 ILE CB C 35.431 0.50 1 148 38 17 ILE CG1 C 26.69 0.50 1 149 38 17 ILE CG2 C 14.57 0.50 1 150 38 17 ILE CD1 C 12.4 0.50 1 151 38 17 ILE N N 117.793 0.50 1 152 39 18 LYS H H 6.984 0.05 1 153 39 18 LYS HA H 3.69 0.05 1 154 39 18 LYS HG2 H 1.2 0.05 2 155 39 18 LYS HG3 H 1.4 0.05 2 156 39 18 LYS HE2 H 2.54 0.05 2 157 39 18 LYS HE3 H 2.65 0.05 2 158 39 18 LYS C C 175.474 0.50 1 159 39 18 LYS CA C 57.84 0.50 1 160 39 18 LYS CB C 29.36 0.50 1 161 39 18 LYS CG C 23.63 0.50 1 162 39 18 LYS CD C 27.31 0.50 1 163 39 18 LYS CE C 39.01 0.50 1 164 39 18 LYS N N 118.913 0.50 1 165 40 19 ASP H H 9.078 0.05 1 166 40 19 ASP HA H 4.36 0.05 1 167 40 19 ASP HB2 H 2.66 0.05 2 168 40 19 ASP HB3 H 2.75 0.05 2 169 40 19 ASP C C 175.49 0.50 1 170 40 19 ASP CA C 54.637 0.50 1 171 40 19 ASP CB C 37.301 0.50 1 172 40 19 ASP N N 119.237 0.50 1 173 41 20 GLU H H 8.152 0.05 1 174 41 20 GLU CA C 55.929 0.50 1 175 41 20 GLU CB C 27.454 0.50 1 176 41 20 GLU N N 122.263 0.50 1 177 42 21 ILE H H 8.33 0.05 1 178 42 21 ILE HA H 3.64 0.05 1 179 42 21 ILE HB H 1.9 0.05 1 180 42 21 ILE HG2 H 0.8 0.05 1 181 42 21 ILE HD1 H 0.68 0.05 1 182 42 21 ILE C C 177.699 0.50 1 183 42 21 ILE CA C 62.8 0.50 1 184 42 21 ILE CB C 33.8 0.50 1 185 42 21 ILE CG1 C 28.1 0.50 1 186 42 21 ILE CG2 C 15.0 0.50 1 187 42 21 ILE CD1 C 10.5 0.50 1 188 43 22 ASN H H 8.08 0.05 1 189 43 22 ASN HA H 4.15 0.05 1 190 43 22 ASN HB2 H 2.74 0.05 2 191 43 22 ASN HB3 H 2.86 0.05 2 192 43 22 ASN C C 178.83 0.50 1 193 43 22 ASN CA C 51.8 0.50 1 194 43 22 ASN CB C 35.8 0.50 1 195 43 22 ASN N N 119.2 0.50 1 196 44 23 LYS H H 7.958 0.05 1 197 44 23 LYS HA H 4.05 0.05 1 198 44 23 LYS HB2 H 1.85 0.05 2 199 44 23 LYS HB3 H 1.96 0.05 2 200 44 23 LYS HE2 H 2.69 0.05 2 201 44 23 LYS HE3 H 2.86 0.05 2 202 44 23 LYS C C 178.187 0.50 1 203 44 23 LYS CA C 57.3 0.50 1 204 44 23 LYS CB C 30.152 0.50 1 205 44 23 LYS CG C 22.3 0.50 1 206 44 23 LYS CD C 26.7 0.50 1 207 44 23 LYS CE C 39.5 0.50 1 208 44 23 LYS N N 121.577 0.50 1 209 45 24 ILE H H 8.296 0.05 1 210 45 24 ILE HA H 3.79 0.05 1 211 45 24 ILE HB H 1.98 0.05 1 212 45 24 ILE HG2 H 0.79 0.05 1 213 45 24 ILE HD1 H 0.84 0.05 1 214 45 24 ILE C C 176.264 0.50 1 215 45 24 ILE CA C 63.6 0.50 1 216 45 24 ILE CB C 35.405 0.50 1 217 45 24 ILE CG1 C 26.7 0.50 1 218 45 24 ILE CG2 C 16.2 0.50 1 219 45 24 ILE CD1 C 12.5 0.50 1 220 45 24 ILE N N 121.849 0.50 1 221 46 25 LYS H H 8.277 0.05 1 222 46 25 LYS HA H 3.7 0.05 1 223 46 25 LYS HB2 H 1.6 0.05 2 224 46 25 LYS HB3 H 1.67 0.05 2 225 46 25 LYS HG2 H 0.33 0.05 2 226 46 25 LYS HG3 H 1.1 0.05 2 227 46 25 LYS HD2 H 1.25 0.05 2 228 46 25 LYS HD3 H 1.52 0.05 2 229 46 25 LYS HE3 H 2.54 0.05 2 230 46 25 LYS C C 175.165 0.50 1 231 46 25 LYS CA C 58.1 0.50 1 232 46 25 LYS CB C 29.909 0.50 1 233 46 25 LYS CG C 23.2 0.50 1 234 46 25 LYS CD C 27.2 0.50 1 235 46 25 LYS CE C 39.1 0.50 1 236 46 25 LYS N N 119.213 0.50 1 237 47 26 ALA H H 7.736 0.05 1 238 47 26 ALA HA H 4.14 0.05 1 239 47 26 ALA HB H 1.49 0.05 1 240 47 26 ALA C C 173.625 0.50 1 241 47 26 ALA CA C 52.459 0.50 1 242 47 26 ALA CB C 15.381 0.50 1 243 47 26 ALA N N 122.073 0.50 1 244 48 27 ASN H H 8.828 0.05 1 245 48 27 ASN HA H 4.55 0.05 1 246 48 27 ASN HB2 H 3.06 0.05 2 247 48 27 ASN HB3 H 3.19 0.05 2 248 48 27 ASN C C 177.199 0.50 1 249 48 27 ASN CA C 53.0 0.50 1 250 48 27 ASN CB C 35.1 0.50 1 251 48 27 ASN N N 120.09 0.50 1 252 49 28 ALA H H 9.345 0.05 1 253 49 28 ALA HA H 3.72 0.05 1 254 49 28 ALA HB H 1.79 0.05 1 255 49 28 ALA C C 175.762 0.50 1 256 49 28 ALA CA C 53.178 0.50 1 257 49 28 ALA CB C 14.275 0.50 1 258 49 28 ALA N N 124.166 0.50 1 259 50 29 LYS H H 7.442 0.05 1 260 50 29 LYS HA H 4.11 0.05 1 261 50 29 LYS HB2 H 1.89 0.05 2 262 50 29 LYS HB3 H 1.97 0.05 2 263 50 29 LYS HG2 H 1.45 0.05 2 264 50 29 LYS HG3 H 1.54 0.05 2 265 50 29 LYS HD2 H 1.64 0.05 2 266 50 29 LYS HD3 H 1.67 0.05 2 267 50 29 LYS HE2 H 2.89 0.05 2 268 50 29 LYS HE3 H 2.97 0.05 2 269 50 29 LYS C C 174.277 0.50 1 270 50 29 LYS CA C 56.616 0.50 1 271 50 29 LYS CB C 29.478 0.50 1 272 50 29 LYS CG C 22.3 0.50 1 273 50 29 LYS CD C 26.6 0.50 1 274 50 29 LYS CE C 39.5 0.50 1 275 50 29 LYS N N 117.253 0.50 1 276 51 30 LYS H H 7.511 0.05 1 277 51 30 LYS HA H 4.02 0.05 1 278 51 30 LYS HB2 H 1.93 0.05 2 279 51 30 LYS HB3 H 1.99 0.05 2 280 51 30 LYS HD2 H 1.62 0.05 2 281 51 30 LYS HD3 H 1.69 0.05 2 282 51 30 LYS HE2 H 2.64 0.05 2 283 51 30 LYS HE3 H 2.97 0.05 2 284 51 30 LYS C C 176.318 0.50 1 285 51 30 LYS CA C 56.515 0.50 1 286 51 30 LYS CB C 29.65 0.50 1 287 51 30 LYS CG C 22.2 0.50 1 288 51 30 LYS CD C 26.7 0.50 1 289 51 30 LYS CE C 39.6 0.50 1 290 51 30 LYS N N 120.25 0.50 1 291 52 31 GLU H H 7.833 0.05 1 292 52 31 GLU HA H 4.13 0.05 1 293 52 31 GLU HB2 H 1.37 0.05 2 294 52 31 GLU HB3 H 1.84 0.05 2 295 52 31 GLU HG2 H 1.69 0.05 2 296 52 31 GLU HG3 H 2.03 0.05 2 297 52 31 GLU C C 178.267 0.50 1 298 52 31 GLU CA C 53.549 0.50 1 299 52 31 GLU CB C 26.856 0.50 1 300 52 31 GLU CG C 32.0 0.50 1 301 52 31 GLU N N 115.902 0.50 1 302 53 32 GLY H H 7.654 0.05 1 303 53 32 GLY HA2 H 3.76 0.05 2 304 53 32 GLY HA3 H 3.97 0.05 2 305 53 32 GLY C C 180.364 0.50 1 306 53 32 GLY CA C 43.55 0.50 1 307 53 32 GLY N N 108.227 0.50 1 308 54 33 VAL H H 8.075 0.05 1 309 54 33 VAL HA H 4.01 0.05 1 310 54 33 VAL HB H 1.67 0.05 1 311 54 33 VAL HG1 H 0.61 0.05 2 312 54 33 VAL HG2 H 0.85 0.05 2 313 54 33 VAL C C 179.352 0.50 1 314 54 33 VAL CA C 58.692 0.50 1 315 54 33 VAL CB C 31.2 0.50 1 316 54 33 VAL CG1 C 18.9 0.50 2 317 54 33 VAL CG2 C 18.4 0.50 2 318 54 33 VAL N N 121.579 0.50 1 319 55 34 LYS H H 8.608 0.05 1 320 55 34 LYS HA H 4.23 0.05 1 321 55 34 LYS HB2 H 1.85 0.05 2 322 55 34 LYS HB3 H 1.96 0.05 2 323 55 34 LYS HG2 H 1.42 0.05 2 324 55 34 LYS HG3 H 1.53 0.05 2 325 55 34 LYS HE2 H 2.96 0.05 2 326 55 34 LYS HE3 H 3.0 0.05 2 327 55 34 LYS C C 176.994 0.50 1 328 55 34 LYS CA C 53.706 0.50 1 329 55 34 LYS CB C 29.652 0.50 1 330 55 34 LYS CG C 22.4 0.50 1 331 55 34 LYS CD C 26.4 0.50 1 332 55 34 LYS CE C 39.6 0.50 1 333 55 34 LYS N N 127.601 0.50 1 334 56 35 PHE H H 8.78 0.05 1 335 56 35 PHE HA H 4.3 0.05 1 336 56 35 PHE HB2 H 3.04 0.05 2 337 56 35 PHE HB3 H 3.31 0.05 2 338 56 35 PHE HD2 H 7.32 0.05 3 339 56 35 PHE HE2 H 6.95 0.05 3 340 56 35 PHE C C 176.657 0.50 1 341 56 35 PHE CA C 58.862 0.50 1 342 56 35 PHE CB C 35.934 0.50 1 343 56 35 PHE CD2 C 132.2 0.50 3 344 56 35 PHE CE2 C 131.0 0.50 3 345 56 35 PHE N N 126.038 0.50 1 346 57 36 GLU H H 9.282 0.05 1 347 57 36 GLU HA H 4.1 0.05 1 348 57 36 GLU HG2 H 2.29 0.05 2 349 57 36 GLU HG3 H 2.37 0.05 2 350 57 36 GLU C C 177.818 0.50 1 351 57 36 GLU CA C 56.336 0.50 1 352 57 36 GLU CB C 26.057 0.50 1 353 57 36 GLU CG C 33.8 0.50 1 354 57 36 GLU N N 118.728 0.50 1 355 58 37 ALA H H 8.049 0.05 1 356 58 37 ALA HA H 4.1 0.05 1 357 58 37 ALA HB H 1.37 0.05 1 358 58 37 ALA C C 175.348 0.50 1 359 58 37 ALA CA C 51.5 0.50 1 360 58 37 ALA CB C 16.003 0.50 1 361 58 37 ALA N N 121.615 0.50 1 362 59 38 PHE H H 7.967 0.05 1 363 59 38 PHE HA H 3.84 0.05 1 364 59 38 PHE HB2 H 2.73 0.05 2 365 59 38 PHE HB3 H 2.84 0.05 2 366 59 38 PHE HE2 H 7.32 0.05 3 367 59 38 PHE C C 178.421 0.50 1 368 59 38 PHE CA C 58.9 0.50 1 369 59 38 PHE CB C 35.837 0.50 1 370 59 38 PHE CE2 C 130.5 0.50 3 371 59 38 PHE N N 115.057 0.50 1 372 60 39 THR H H 7.296 0.05 1 373 60 39 THR HA H 4.29 0.05 1 374 60 39 THR HB H 4.27 0.05 1 375 60 39 THR HG2 H 1.11 0.05 1 376 60 39 THR C C 180.143 0.50 1 377 60 39 THR CA C 58.951 0.50 1 378 60 39 THR CB C 66.966 0.50 1 379 60 39 THR CG2 C 19.6 0.50 1 380 60 39 THR N N 107.477 0.50 1 381 61 40 ASN H H 7.689 0.05 1 382 61 40 ASN HA H 4.74 0.05 1 383 61 40 ASN HB2 H 2.74 0.05 2 384 61 40 ASN HB3 H 2.84 0.05 2 385 61 40 ASN C C 179.104 0.50 1 386 61 40 ASN CA C 50.836 0.50 1 387 61 40 ASN CB C 36.204 0.50 1 388 61 40 ASN N N 120.734 0.50 1 389 62 41 THR H H 8.231 0.05 1 390 62 41 THR HA H 4.26 0.05 1 391 62 41 THR HB H 4.24 0.05 1 392 62 41 THR HG2 H 1.17 0.05 1 393 62 41 THR C C 179.728 0.50 1 394 62 41 THR CA C 59.822 0.50 1 395 62 41 THR CB C 66.657 0.50 1 396 62 41 THR CG2 C 19.1 0.50 1 397 62 41 THR N N 115.239 0.50 1 398 63 42 GLN H H 8.358 0.05 1 399 63 42 GLN HA H 4.37 0.05 1 400 63 42 GLN HB2 H 2.01 0.05 2 401 63 42 GLN HB3 H 2.11 0.05 2 402 63 42 GLN HG2 H 2.33 0.05 2 403 63 42 GLN HG3 H 2.37 0.05 2 404 63 42 GLN C C 178.467 0.50 1 405 63 42 GLN CA C 53.584 0.50 1 406 63 42 GLN CB C 26.5 0.50 1 407 63 42 GLN CG C 31.2 0.50 1 408 63 42 GLN N N 122.551 0.50 1 409 64 43 THR H H 8.131 0.05 1 410 64 43 THR HA H 4.2 0.05 1 411 64 43 THR HB H 4.19 0.05 1 412 64 43 THR HG2 H 1.14 0.05 1 413 64 43 THR C C 179.482 0.50 1 414 64 43 THR CA C 59.945 0.50 1 415 64 43 THR CB C 67.0 0.50 1 416 64 43 THR CG2 C 19.1 0.50 1 417 64 43 THR N N 114.977 0.50 1 418 65 44 GLY H H 8.436 0.05 1 419 65 44 GLY HA2 H 3.89 0.05 2 420 65 44 GLY HA3 H 4.02 0.05 2 421 65 44 GLY C C 180.44 0.50 1 422 65 44 GLY CA C 43.091 0.50 1 423 65 44 GLY N N 111.511 0.50 1 424 66 45 SER H H 8.091 0.05 1 425 66 45 SER HA H 4.38 0.05 1 426 66 45 SER HB2 H 3.69 0.05 2 427 66 45 SER HB3 H 3.82 0.05 2 428 66 45 SER C C 180.102 0.50 1 429 66 45 SER CA C 56.0 0.50 1 430 66 45 SER CB C 61.229 0.50 1 431 66 45 SER N N 115.487 0.50 1 432 67 46 LYS H H 8.202 0.05 1 433 67 46 LYS HA H 4.31 0.05 1 434 67 46 LYS HB2 H 1.73 0.05 2 435 67 46 LYS HB3 H 1.85 0.05 2 436 67 46 LYS HG2 H 1.38 0.05 2 437 67 46 LYS HG3 H 1.45 0.05 2 438 67 46 LYS HD2 H 1.64 0.05 2 439 67 46 LYS HD3 H 1.69 0.05 2 440 67 46 LYS HE2 H 2.92 0.05 2 441 67 46 LYS HE3 H 3.02 0.05 2 442 67 46 LYS C C 177.846 0.50 1 443 67 46 LYS CA C 53.702 0.50 1 444 67 46 LYS CB C 30.097 0.50 1 445 67 46 LYS CG C 22.1 0.50 1 446 67 46 LYS CD C 26.2 0.50 1 447 67 46 LYS CE C 39.5 0.50 1 448 67 46 LYS N N 122.631 0.50 1 449 68 47 ILE H H 8.052 0.05 1 450 68 47 ILE HA H 4.08 0.05 1 451 68 47 ILE HB H 1.83 0.05 1 452 68 47 ILE HG2 H 0.89 0.05 1 453 68 47 ILE HD1 H 0.83 0.05 1 454 68 47 ILE C C 178.368 0.50 1 455 68 47 ILE CA C 59.1 0.50 1 456 68 47 ILE CB C 35.828 0.50 1 457 68 47 ILE CG1 C 24.8 0.50 1 458 68 47 ILE CG2 C 15.0 0.50 1 459 68 47 ILE CD1 C 10.4 0.50 1 460 68 47 ILE N N 121.396 0.50 1 461 69 48 SER H H 8.096 0.05 1 462 69 48 SER HA H 4.38 0.05 1 463 69 48 SER HB2 H 3.68 0.05 2 464 69 48 SER HB3 H 3.85 0.05 2 465 69 48 SER C C 180.397 0.50 1 466 69 48 SER CA C 56.001 0.50 1 467 69 48 SER CB C 61.393 0.50 1 468 69 48 SER N N 118.084 0.50 1 469 70 49 GLU H H 8.228 0.05 1 470 70 49 GLU HA H 4.31 0.05 1 471 70 49 GLU HB2 H 1.95 0.05 2 472 70 49 GLU HB3 H 2.11 0.05 2 473 70 49 GLU HG2 H 2.24 0.05 2 474 70 49 GLU HG3 H 2.27 0.05 2 475 70 49 GLU CA C 53.89 0.50 1 476 70 49 GLU CB C 27.454 0.50 1 477 70 49 GLU CG C 33.6 0.50 1 478 70 49 GLU N N 122.218 0.50 1 479 71 50 LYS H H 8.23 0.05 1 480 71 50 LYS N N 117.95 0.50 1 481 72 51 PRO HA H 4.16 0.05 1 482 72 51 PRO HB2 H 2.23 0.05 2 483 72 51 PRO HB3 H 2.05 0.05 2 484 72 51 PRO HG2 H 1.85 0.05 2 485 72 51 PRO HG3 H 2.0 0.05 2 486 72 51 PRO HD2 H 3.71 0.05 2 487 72 51 PRO HD3 H 3.46 0.05 2 488 72 51 PRO C C 175.983 0.50 1 489 72 51 PRO CA C 62.156 0.50 1 490 72 51 PRO CB C 28.879 0.50 1 491 72 51 PRO CG C 25.0 0.50 1 492 72 51 PRO CD C 47.9 0.50 1 493 73 52 GLU H H 8.874 0.05 1 494 73 52 GLU HA H 3.72 0.05 1 495 73 52 GLU HB2 H 1.99 0.05 2 496 73 52 GLU HB3 H 2.12 0.05 2 497 73 52 GLU HG2 H 2.21 0.05 2 498 73 52 GLU HG3 H 2.36 0.05 2 499 73 52 GLU C C 177.402 0.50 1 500 73 52 GLU CA C 57.655 0.50 1 501 73 52 GLU CB C 26.304 0.50 1 502 73 52 GLU CG C 33.9 0.50 1 503 73 52 GLU N N 118.365 0.50 1 504 74 53 PHE H H 7.649 0.05 1 505 74 53 PHE HA H 4.06 0.05 1 506 74 53 PHE HB2 H 3.17 0.05 2 507 74 53 PHE HB3 H 3.34 0.05 2 508 74 53 PHE HD1 H 7.22 0.05 3 509 74 53 PHE HE1 H 7.2 0.05 3 510 74 53 PHE C C 177.253 0.50 1 511 74 53 PHE CA C 58.623 0.50 1 512 74 53 PHE CB C 36.337 0.50 1 513 74 53 PHE CD1 C 132.4 0.50 3 514 74 53 PHE CE1 C 130.6 0.50 3 515 74 53 PHE N N 118.894 0.50 1 516 75 54 ILE H H 7.156 0.05 1 517 75 54 ILE HA H 3.17 0.05 1 518 75 54 ILE HB H 1.7 0.05 1 519 75 54 ILE HG2 H 0.33 0.05 1 520 75 54 ILE HD1 H 0.42 0.05 1 521 75 54 ILE C C 177.522 0.50 1 522 75 54 ILE CA C 61.438 0.50 1 523 75 54 ILE CB C 35.276 0.50 1 524 75 54 ILE CG1 C 25.6 0.50 1 525 75 54 ILE CG2 C 14.0 0.50 1 526 75 54 ILE CD1 C 10.4 0.50 1 527 75 54 ILE N N 118.476 0.50 1 528 76 55 LEU H H 7.665 0.05 1 529 76 55 LEU HA H 4.09 0.05 1 530 76 55 LEU HB2 H 1.7 0.05 2 531 76 55 LEU HB3 H 1.81 0.05 2 532 76 55 LEU HG H 1.28 0.05 1 533 76 55 LEU HD1 H 0.94 0.05 2 534 76 55 LEU HD2 H 0.74 0.05 2 535 76 55 LEU C C 175.634 0.50 1 536 76 55 LEU CA C 55.443 0.50 1 537 76 55 LEU CB C 39.885 0.50 1 538 76 55 LEU CG C 23.2 0.50 1 539 76 55 LEU CD1 C 20.9 0.50 2 540 76 55 LEU CD2 C 20.5 0.50 2 541 76 55 LEU N N 118.053 0.50 1 542 77 56 LYS H H 8.074 0.05 1 543 77 56 LYS HA H 4.2 0.05 1 544 77 56 LYS C C 177.832 0.50 1 545 77 56 LYS CA C 54.5 0.50 1 546 77 56 LYS CB C 30.1 0.50 1 547 77 56 LYS CG C 22.2 0.50 1 548 77 56 LYS CD C 26.7 0.50 1 549 77 56 LYS N N 115.154 0.50 1 550 78 57 ALA H H 8.117 0.05 1 551 78 57 ALA HA H 4.06 0.05 1 552 78 57 ALA HB H 1.38 0.05 1 553 78 57 ALA C C 176.687 0.50 1 554 78 57 ALA CA C 52.3 0.50 1 555 78 57 ALA CB C 15.7 0.50 1 556 78 57 ALA N N 124.124 0.50 1 557 79 58 LYS H H 8.23 0.05 1 558 79 58 LYS HA H 4.18 0.05 1 559 79 58 LYS CA C 50.784 0.50 1 560 79 58 LYS CB C 35.983 0.50 1 561 79 58 LYS N N 117.3 0.50 1 562 80 59 ILE H H 7.93 0.05 1 563 80 59 ILE HA H 3.53 0.05 1 564 80 59 ILE HB H 1.71 0.05 1 565 80 59 ILE HG2 H 0.76 0.05 1 566 80 59 ILE HD1 H 0.16 0.05 1 567 80 59 ILE C C 176.589 0.50 1 568 80 59 ILE CA C 63.441 0.50 1 569 80 59 ILE CB C 35.732 0.50 1 570 80 59 ILE CG1 C 27.8 0.50 1 571 80 59 ILE CG2 C 14.4 0.50 1 572 80 59 ILE CD1 C 10.3 0.50 1 573 80 59 ILE N N 117.9 0.50 1 574 81 60 LYS H H 7.809 0.05 1 575 81 60 LYS HA H 4.1 0.05 1 576 81 60 LYS C C 175.872 0.50 1 577 81 60 LYS CA C 56.558 0.50 1 578 81 60 LYS CB C 29.031 0.50 1 579 81 60 LYS CG C 22.3 0.50 1 580 81 60 LYS CD C 26.1 0.50 1 581 81 60 LYS CE C 39.7 0.50 1 582 81 60 LYS N N 120.759 0.50 1 583 82 61 ALA H H 8.176 0.05 1 584 82 61 ALA HA H 3.83 0.05 1 585 82 61 ALA HB H 1.32 0.05 1 586 82 61 ALA C C 175.208 0.50 1 587 82 61 ALA CA C 53.0 0.50 1 588 82 61 ALA CB C 15.707 0.50 1 589 82 61 ALA N N 120.468 0.50 1 590 83 62 ILE H H 8.437 0.05 1 591 83 62 ILE HA H 3.42 0.05 1 592 83 62 ILE HB H 1.98 0.05 1 593 83 62 ILE HG2 H 0.9 0.05 1 594 83 62 ILE HD1 H 0.77 0.05 1 595 83 62 ILE CA C 63.692 0.50 1 596 83 62 ILE CB C 35.11 0.50 1 597 83 62 ILE CG1 C 27.3 0.50 1 598 83 62 ILE CG2 C 15.6 0.50 1 599 83 62 ILE CD1 C 11.3 0.50 1 600 83 62 ILE N N 118.06 0.50 1 601 84 63 GLN H H 8.037 0.05 1 602 84 63 GLN HA H 4.02 0.05 1 603 84 63 GLN HB2 H 2.15 0.05 2 604 84 63 GLN HB3 H 2.35 0.05 2 605 84 63 GLN HG2 H 2.38 0.05 2 606 84 63 GLN HG3 H 2.64 0.05 2 607 84 63 GLN C C 174.979 0.50 1 608 84 63 GLN CA C 57.0 0.50 1 609 84 63 GLN CB C 25.507 0.50 1 610 84 63 GLN CG C 31.5 0.50 1 611 84 63 GLN N N 119.72 0.50 1 612 85 64 VAL H H 7.746 0.05 1 613 85 64 VAL HA H 3.66 0.05 1 614 85 64 VAL HB H 2.15 0.05 1 615 85 64 VAL HG1 H 1.08 0.05 2 616 85 64 VAL HG2 H 0.96 0.05 2 617 85 64 VAL C C 175.691 0.50 1 618 85 64 VAL CA C 63.969 0.50 1 619 85 64 VAL CB C 29.001 0.50 1 620 85 64 VAL CG1 C 19.7 0.50 2 621 85 64 VAL CG2 C 19.7 0.50 2 622 85 64 VAL N N 118.966 0.50 1 623 86 65 ALA H H 8.526 0.05 1 624 86 65 ALA HA H 4.15 0.05 1 625 86 65 ALA HB H 1.5 0.05 1 626 86 65 ALA C C 175.344 0.50 1 627 86 65 ALA CA C 52.448 0.50 1 628 86 65 ALA CB C 16.273 0.50 1 629 86 65 ALA N N 124.438 0.50 1 630 87 66 GLU H H 9.083 0.05 1 631 87 66 GLU HA H 4.03 0.05 1 632 87 66 GLU HB2 H 2.09 0.05 2 633 87 66 GLU HB3 H 2.24 0.05 2 634 87 66 GLU HG2 H 2.4 0.05 2 635 87 66 GLU HG3 H 2.64 0.05 2 636 87 66 GLU C C 176.035 0.50 1 637 87 66 GLU CA C 56.7 0.50 1 638 87 66 GLU CB C 25.4 0.50 1 639 87 66 GLU CG C 31.8 0.50 1 640 87 66 GLU N N 118.476 0.50 1 641 88 67 ARG H H 7.408 0.05 1 642 88 67 ARG HA H 4.03 0.05 1 643 88 67 ARG HB2 H 1.96 0.05 2 644 88 67 ARG HB3 H 2.11 0.05 2 645 88 67 ARG HG2 H 1.62 0.05 2 646 88 67 ARG HG3 H 1.96 0.05 2 647 88 67 ARG HD2 H 3.26 0.05 2 648 88 67 ARG HD3 H 3.35 0.05 2 649 88 67 ARG C C 175.522 0.50 1 650 88 67 ARG CA C 57.618 0.50 1 651 88 67 ARG CB C 27.608 0.50 1 652 88 67 ARG CG C 25.7 0.50 1 653 88 67 ARG CD C 41.5 0.50 1 654 88 67 ARG N N 118.853 0.50 1 655 89 68 PHE H H 7.189 0.05 1 656 89 68 PHE HA H 4.41 0.05 1 657 89 68 PHE HB2 H 3.26 0.05 2 658 89 68 PHE HB3 H 3.44 0.05 2 659 89 68 PHE HE2 H 7.25 0.05 3 660 89 68 PHE C C 179.187 0.50 1 661 89 68 PHE CA C 58.1 0.50 1 662 89 68 PHE CB C 36.7 0.50 1 663 89 68 PHE CE2 C 128.7 0.50 3 664 89 68 PHE N N 121.409 0.50 1 665 90 69 VAL H H 8.101 0.05 1 666 90 69 VAL HA H 3.12 0.05 1 667 90 69 VAL HB H 2.13 0.05 1 668 90 69 VAL HG1 H 0.99 0.05 2 669 90 69 VAL HG2 H 1.13 0.05 2 670 90 69 VAL C C 179.208 0.50 1 671 90 69 VAL CA C 64.19 0.50 1 672 90 69 VAL CB C 28.784 0.50 1 673 90 69 VAL CG1 C 20.9 0.50 2 674 90 69 VAL CG2 C 20.9 0.50 2 675 90 69 VAL N N 119.402 0.50 1 676 91 70 LYS H H 7.93 0.05 1 677 91 70 LYS HA H 3.8 0.05 1 678 91 70 LYS HB3 H 1.82 0.05 2 679 91 70 LYS HG3 H 1.31 0.05 2 680 91 70 LYS HD3 H 1.57 0.05 2 681 91 70 LYS HE3 H 2.94 0.05 2 682 91 70 LYS C C 176.409 0.50 1 683 91 70 LYS CA C 57.4 0.50 1 684 91 70 LYS CB C 29.8 0.50 1 685 91 70 LYS CG C 22.7 0.50 1 686 91 70 LYS CD C 26.8 0.50 1 687 91 70 LYS CE C 39.5 0.50 1 688 91 70 LYS N N 118.6 0.50 1 689 92 71 ALA H H 7.521 0.05 1 690 92 71 ALA HA H 3.95 0.05 1 691 92 71 ALA HB H 1.36 0.05 1 692 92 71 ALA C C 175.359 0.50 1 693 92 71 ALA CA C 53.083 0.50 1 694 92 71 ALA CB C 14.671 0.50 1 695 92 71 ALA N N 121.866 0.50 1 696 93 72 ILE H H 8.001 0.05 1 697 93 72 ILE HA H 3.39 0.05 1 698 93 72 ILE HB H 2.01 0.05 1 699 93 72 ILE HG2 H 0.7 0.05 1 700 93 72 ILE HD1 H 0.6 0.05 1 701 93 72 ILE C C 177.295 0.50 1 702 93 72 ILE CA C 60.24 0.50 1 703 93 72 ILE CB C 31.948 0.50 1 704 93 72 ILE CG1 C 23.2 0.50 1 705 93 72 ILE CG2 C 14.9 0.50 1 706 93 72 ILE CD1 C 7.93 0.50 1 707 93 72 ILE N N 119.093 0.50 1 708 94 73 LYS H H 7.687 0.05 1 709 94 73 LYS HA H 3.64 0.05 1 710 94 73 LYS HG2 H 1.08 0.05 2 711 94 73 LYS HG3 H 1.21 0.05 2 712 94 73 LYS HD2 H 1.25 0.05 2 713 94 73 LYS HD3 H 1.54 0.05 2 714 94 73 LYS CA C 58.815 0.50 1 715 94 73 LYS CB C 29.76 0.50 1 716 94 73 LYS CG C 24.1 0.50 1 717 94 73 LYS CD C 27.6 0.50 1 718 94 73 LYS N N 116.932 0.50 1 719 95 74 GLU H H 8.23 0.05 1 720 95 74 GLU HA H 3.94 0.05 1 721 95 74 GLU HB2 H 2.12 0.05 2 722 95 74 GLU HB3 H 2.18 0.05 2 723 95 74 GLU HG2 H 2.3 0.05 2 724 95 74 GLU HG3 H 2.58 0.05 2 725 95 74 GLU C C 174.251 0.50 1 726 95 74 GLU CA C 56.7 0.50 1 727 95 74 GLU CB C 27.697 0.50 1 728 95 74 GLU CG C 33.8 0.50 1 729 95 74 GLU N N 117.8 0.50 1 730 96 75 GLU H H 8.702 0.05 1 731 96 75 GLU HA H 4.12 0.05 1 732 96 75 GLU HB2 H 1.97 0.05 2 733 96 75 GLU HB3 H 2.1 0.05 2 734 96 75 GLU HG2 H 2.61 0.05 2 735 96 75 GLU HG3 H 2.77 0.05 2 736 96 75 GLU C C 175.679 0.50 1 737 96 75 GLU CA C 55.481 0.50 1 738 96 75 GLU CB C 25.962 0.50 1 739 96 75 GLU CG C 33.3 0.50 1 740 96 75 GLU N N 118.069 0.50 1 741 97 76 ALA H H 8.807 0.05 1 742 97 76 ALA HA H 4.02 0.05 1 743 97 76 ALA HB H 1.47 0.05 1 744 97 76 ALA C C 175.621 0.50 1 745 97 76 ALA CA C 53.67 0.50 1 746 97 76 ALA CB C 15.326 0.50 1 747 97 76 ALA N N 122.078 0.50 1 748 98 77 GLU H H 7.796 0.05 1 749 98 77 GLU HA H 3.89 0.05 1 750 98 77 GLU HB2 H 2.04 0.05 2 751 98 77 GLU HB3 H 2.18 0.05 2 752 98 77 GLU HG2 H 2.33 0.05 2 753 98 77 GLU HG3 H 2.38 0.05 2 754 98 77 GLU C C 174.926 0.50 1 755 98 77 GLU CA C 56.542 0.50 1 756 98 77 GLU CB C 26.247 0.50 1 757 98 77 GLU CG C 32.3 0.50 1 758 98 77 GLU N N 115.627 0.50 1 759 99 78 LYS H H 7.516 0.05 1 760 99 78 LYS HA H 4.04 0.05 1 761 99 78 LYS HB2 H 1.97 0.05 2 762 99 78 LYS HB3 H 2.07 0.05 2 763 99 78 LYS HG2 H 1.44 0.05 2 764 99 78 LYS HG3 H 1.55 0.05 2 765 99 78 LYS HD2 H 1.63 0.05 2 766 99 78 LYS HD3 H 1.67 0.05 2 767 99 78 LYS HE2 H 2.82 0.05 2 768 99 78 LYS HE3 H 2.85 0.05 2 769 99 78 LYS C C 175.81 0.50 1 770 99 78 LYS CA C 57.2 0.50 1 771 99 78 LYS CB C 29.901 0.50 1 772 99 78 LYS CG C 22.7 0.50 1 773 99 78 LYS CD C 26.8 0.50 1 774 99 78 LYS CE C 39.5 0.50 1 775 99 78 LYS N N 118.873 0.50 1 776 100 79 LEU H H 7.66 0.05 1 777 100 79 LEU HA H 4.41 0.05 1 778 100 79 LEU HB2 H 1.71 0.05 2 779 100 79 LEU HB3 H 1.92 0.05 2 780 100 79 LEU HG H 1.79 0.05 1 781 100 79 LEU HD1 H 0.89 0.05 2 782 100 79 LEU HD2 H 0.74 0.05 2 783 100 79 LEU C C 176.374 0.50 1 784 100 79 LEU CA C 52.482 0.50 1 785 100 79 LEU CB C 40.0 0.50 1 786 100 79 LEU CG C 24.4 0.50 1 787 100 79 LEU CD1 C 22.8 0.50 2 788 100 79 LEU CD2 C 20.1 0.50 2 789 100 79 LEU N N 118.728 0.50 1 790 101 80 LYS H H 7.631 0.05 1 791 101 80 LYS HA H 3.97 0.05 1 792 101 80 LYS HB2 H 1.87 0.05 2 793 101 80 LYS HB3 H 2.19 0.05 2 794 101 80 LYS HG2 H 1.42 0.05 2 795 101 80 LYS HG3 H 1.55 0.05 2 796 101 80 LYS HD2 H 1.96 0.05 2 797 101 80 LYS HD3 H 2.17 0.05 2 798 101 80 LYS HE2 H 2.84 0.05 2 799 101 80 LYS HE3 H 2.87 0.05 2 800 101 80 LYS C C 176.435 0.50 1 801 101 80 LYS CA C 58.0 0.50 1 802 101 80 LYS CB C 30.1 0.50 1 803 101 80 LYS CG C 22.8 0.50 1 804 101 80 LYS CD C 27.0 0.50 1 805 101 80 LYS CE C 39.3 0.50 1 806 101 80 LYS N N 121.987 0.50 1 807 102 81 LYS H H 8.24 0.05 1 808 102 81 LYS HA H 4.34 0.05 1 809 102 81 LYS HB2 H 1.98 0.05 2 810 102 81 LYS HB3 H 2.06 0.05 2 811 102 81 LYS HG2 H 1.37 0.05 2 812 102 81 LYS HG3 H 1.43 0.05 2 813 102 81 LYS HD2 H 1.67 0.05 2 814 102 81 LYS HD3 H 1.94 0.05 2 815 102 81 LYS HE2 H 2.97 0.05 2 816 102 81 LYS HE3 H 2.99 0.05 2 817 102 81 LYS C C 177.301 0.50 1 818 102 81 LYS CA C 55.286 0.50 1 819 102 81 LYS CB C 29.802 0.50 1 820 102 81 LYS CG C 22.5 0.50 1 821 102 81 LYS CD C 26.3 0.50 1 822 102 81 LYS CE C 39.5 0.50 1 823 102 81 LYS N N 116.559 0.50 1 824 103 82 SER H H 7.877 0.05 1 825 103 82 SER HA H 4.55 0.05 1 826 103 82 SER HB2 H 3.83 0.05 2 827 103 82 SER HB3 H 3.95 0.05 2 828 103 82 SER C C 179.309 0.50 1 829 103 82 SER CA C 56.0 0.50 1 830 103 82 SER CB C 61.9 0.50 1 831 103 82 SER N N 112.546 0.50 1 832 104 83 GLY H H 8.529 0.05 1 833 104 83 GLY HA2 H 3.77 0.05 2 834 104 83 GLY HA3 H 4.04 0.05 2 835 104 83 GLY C C 181.255 0.50 1 836 104 83 GLY CA C 43.236 0.50 1 837 104 83 GLY N N 111.508 0.50 1 838 105 84 SER H H 7.68 0.05 1 839 105 84 SER HA H 4.67 0.05 1 840 105 84 SER HB2 H 3.9 0.05 2 841 105 84 SER HB3 H 3.98 0.05 2 842 105 84 SER C C 180.163 0.50 1 843 105 84 SER CA C 54.506 0.50 1 844 105 84 SER CB C 62.2 0.50 1 845 105 84 SER N N 115.615 0.50 1 846 106 85 SER H H 8.754 0.05 1 847 106 85 SER HA H 4.43 0.05 1 848 106 85 SER HB2 H 3.97 0.05 2 849 106 85 SER HB3 H 4.03 0.05 2 850 106 85 SER C C 178.289 0.50 1 851 106 85 SER CA C 58.2 0.50 1 852 106 85 SER CB C 60.505 0.50 1 853 106 85 SER N N 117.767 0.50 1 854 107 86 GLY H H 8.369 0.05 1 855 107 86 GLY HA2 H 3.86 0.05 2 856 107 86 GLY HA3 H 3.99 0.05 2 857 107 86 GLY C C 178.538 0.50 1 858 107 86 GLY CA C 43.706 0.50 1 859 107 86 GLY N N 109.025 0.50 1 860 108 87 ALA H H 7.682 0.05 1 861 108 87 ALA HA H 3.86 0.05 1 862 108 87 ALA HB H 1.03 0.05 1 863 108 87 ALA C C 176.308 0.50 1 864 108 87 ALA CA C 51.691 0.50 1 865 108 87 ALA CB C 15.365 0.50 1 866 108 87 ALA N N 124.997 0.50 1 867 109 88 PHE H H 6.899 0.05 1 868 109 88 PHE HA H 4.38 0.05 1 869 109 88 PHE HB2 H 2.69 0.05 2 870 109 88 PHE HB3 H 3.1 0.05 2 871 109 88 PHE HD1 H 7.12 0.05 3 872 109 88 PHE HE1 H 7.11 0.05 3 873 109 88 PHE C C 176.295 0.50 1 874 109 88 PHE CA C 58.2 0.50 1 875 109 88 PHE CB C 34.9 0.50 1 876 109 88 PHE CD1 C 131.5 0.50 3 877 109 88 PHE CE1 C 130.7 0.50 3 878 109 88 PHE N N 116.834 0.50 1 879 110 89 SER H H 8.635 0.05 1 880 110 89 SER HA H 4.26 0.05 1 881 110 89 SER HB2 H 3.96 0.05 2 882 110 89 SER HB3 H 4.03 0.05 2 883 110 89 SER C C 178.371 0.50 1 884 110 89 SER CA C 59.7 0.50 1 885 110 89 SER CB C 59.7 0.50 1 886 110 89 SER N N 115.486 0.50 1 887 111 90 ALA H H 7.369 0.05 1 888 111 90 ALA HA H 4.31 0.05 1 889 111 90 ALA HB H 1.54 0.05 1 890 111 90 ALA C C 173.398 0.50 1 891 111 90 ALA CA C 52.315 0.50 1 892 111 90 ALA CB C 15.7 0.50 1 893 111 90 ALA N N 122.463 0.50 1 894 112 91 MET H H 7.855 0.05 1 895 112 91 MET HA H 3.91 0.05 1 896 112 91 MET HE H 2.16 0.05 1 897 112 91 MET CA C 58.135 0.50 1 898 112 91 MET CB C 30.06 0.50 1 899 112 91 MET CE C 16.7 0.50 1 900 112 91 MET N N 118.52 0.50 1 901 113 92 TYR HA H 4.17 0.05 1 902 113 92 TYR HB2 H 2.93 0.05 2 903 113 92 TYR HB3 H 3.38 0.05 2 904 113 92 TYR HD1 H 7.07 0.05 3 905 113 92 TYR HE1 H 6.75 0.05 3 906 113 92 TYR CA C 59.5 0.50 1 907 113 92 TYR CB C 35.4 0.50 1 908 113 92 TYR CD1 C 132.6 0.50 3 909 113 92 TYR CE1 C 118.8 0.50 3 910 114 93 ASP H H 8.4 0.05 1 911 114 93 ASP HA H 4.14 0.05 1 912 114 93 ASP HB2 H 2.67 0.05 2 913 114 93 ASP HB3 H 2.79 0.05 2 914 114 93 ASP CA C 54.9 0.50 1 915 114 93 ASP CB C 37.0 0.50 1 916 114 93 ASP N N 119.2 0.50 1 917 115 94 LEU H H 7.56 0.05 1 918 115 94 LEU HA H 4.18 0.05 1 919 115 94 LEU HB2 H 1.61 0.05 2 920 115 94 LEU HB3 H 2.2 0.05 2 921 115 94 LEU HD1 H 1.02 0.05 2 922 115 94 LEU HD2 H 0.83 0.05 2 923 115 94 LEU C C 176.37 0.50 1 924 115 94 LEU CA C 55.332 0.50 1 925 115 94 LEU CB C 40.198 0.50 1 926 115 94 LEU CG C 23.8 0.50 1 927 115 94 LEU CD1 C 21.1 0.50 2 928 115 94 LEU CD2 C 20.3 0.50 2 929 115 94 LEU N N 119.8 0.50 1 930 116 95 MET H H 7.765 0.05 1 931 116 95 MET HA H 3.97 0.05 1 932 116 95 MET HB2 H 2.37 0.05 2 933 116 95 MET HB3 H 2.42 0.05 2 934 116 95 MET HG2 H 2.38 0.05 2 935 116 95 MET HG3 H 2.42 0.05 2 936 116 95 MET HE H 2.16 0.05 1 937 116 95 MET CA C 58.631 0.50 1 938 116 95 MET CB C 31.5 0.50 1 939 116 95 MET CG C 31.1 0.50 1 940 116 95 MET CE C 16.7 0.50 1 941 116 95 MET N N 118.561 0.50 1 942 117 96 ILE H H 8.1 0.05 1 943 117 96 ILE HA H 3.63 0.05 1 944 117 96 ILE HB H 1.95 0.05 1 945 117 96 ILE HG2 H 0.79 0.05 1 946 117 96 ILE HD1 H 0.58 0.05 1 947 117 96 ILE C C 175.573 0.50 1 948 117 96 ILE CA C 59.5 0.50 1 949 117 96 ILE CB C 33.2 0.50 1 950 117 96 ILE CG1 C 24.3 0.50 1 951 117 96 ILE CG2 C 14.5 0.50 1 952 117 96 ILE CD1 C 7.6 0.50 1 953 117 96 ILE N N 120.3 0.50 1 954 118 97 ASP H H 8.159 0.05 1 955 118 97 ASP HA H 4.29 0.05 1 956 118 97 ASP HB2 H 2.69 0.05 2 957 118 97 ASP HB3 H 2.87 0.05 2 958 118 97 ASP C C 175.355 0.50 1 959 118 97 ASP CA C 55.3 0.50 1 960 118 97 ASP CB C 39.0 0.50 1 961 118 97 ASP N N 121.732 0.50 1 962 119 98 VAL H H 7.857 0.05 1 963 119 98 VAL HA H 3.77 0.05 1 964 119 98 VAL HB H 1.97 0.05 1 965 119 98 VAL HG1 H 0.55 0.05 2 966 119 98 VAL HG2 H 0.58 0.05 2 967 119 98 VAL C C 178.488 0.50 1 968 119 98 VAL CA C 61.174 0.50 1 969 119 98 VAL CB C 28.8 0.50 1 970 119 98 VAL CG1 C 17.0 0.50 2 971 119 98 VAL CG2 C 18.9 0.50 2 972 119 98 VAL N N 109.788 0.50 1 973 120 99 SER H H 7.539 0.05 1 974 120 99 SER HA H 3.89 0.05 1 975 120 99 SER HB2 H 3.69 0.05 2 976 120 99 SER HB3 H 3.86 0.05 2 977 120 99 SER C C 180.093 0.50 1 978 120 99 SER CA C 60.8 0.50 1 979 120 99 SER CB C 60.8 0.50 1 980 120 99 SER N N 117.284 0.50 1 981 121 100 LYS H H 6.877 0.05 1 982 121 100 LYS HA H 4.18 0.05 1 983 121 100 LYS CA C 58.745 0.50 1 984 121 100 LYS CB C 26.718 0.50 1 985 121 100 LYS N N 119.276 0.50 1 986 122 101 PRO HA H 4.43 0.05 1 987 122 101 PRO HB2 H 2.22 0.05 2 988 122 101 PRO HB3 H 1.63 0.05 2 989 122 101 PRO HG2 H 1.87 0.05 2 990 122 101 PRO HG3 H 1.97 0.05 2 991 122 101 PRO HD2 H 4.06 0.05 2 992 122 101 PRO HD3 H 3.44 0.05 2 993 122 101 PRO C C 176.63 0.50 1 994 122 101 PRO CA C 62.952 0.50 1 995 122 101 PRO CB C 27.346 0.50 1 996 122 101 PRO CG C 24.6 0.50 1 997 122 101 PRO CD C 46.7 0.50 1 998 123 102 LEU H H 6.715 0.05 1 999 123 102 LEU HA H 3.97 0.05 1 1000 123 102 LEU HB2 H 1.19 0.05 2 1001 123 102 LEU HB3 H 2.0 0.05 2 1002 123 102 LEU HG H 1.91 0.05 1 1003 123 102 LEU HD1 H 0.67 0.05 2 1004 123 102 LEU HD2 H 0.77 0.05 2 1005 123 102 LEU C C 176.0 0.50 1 1006 123 102 LEU CA C 54.999 0.50 1 1007 123 102 LEU CB C 37.7 0.50 1 1008 123 102 LEU CG C 23.8 0.50 1 1009 123 102 LEU CD1 C 19.6 0.50 2 1010 123 102 LEU CD2 C 15.8 0.50 2 1011 123 102 LEU N N 113.839 0.50 1 1012 124 103 GLU H H 8.025 0.05 1 1013 124 103 GLU HA H 4.11 0.05 1 1014 124 103 GLU HB2 H 2.06 0.05 2 1015 124 103 GLU HB3 H 2.34 0.05 2 1016 124 103 GLU HG2 H 2.59 0.05 2 1017 124 103 GLU HG3 H 2.85 0.05 2 1018 124 103 GLU C C 173.219 0.50 1 1019 124 103 GLU CA C 57.0 0.50 1 1020 124 103 GLU CB C 26.7 0.50 1 1021 124 103 GLU CG C 35.0 0.50 1 1022 124 103 GLU N N 120.0 0.50 1 1023 125 104 GLU H H 7.821 0.05 1 1024 125 104 GLU HA H 3.99 0.05 1 1025 125 104 GLU HB2 H 1.95 0.05 2 1026 125 104 GLU HB3 H 2.38 0.05 2 1027 125 104 GLU HG2 H 2.24 0.05 2 1028 125 104 GLU HG3 H 2.54 0.05 2 1029 125 104 GLU C C 177.734 0.50 1 1030 125 104 GLU CA C 56.583 0.50 1 1031 125 104 GLU CB C 26.738 0.50 1 1032 125 104 GLU CG C 34.3 0.50 1 1033 125 104 GLU N N 120.313 0.50 1 1034 126 105 ILE H H 6.93 0.05 1 1035 126 105 ILE HA H 4.22 0.05 1 1036 126 105 ILE HB H 1.93 0.05 1 1037 126 105 ILE HG2 H 0.75 0.05 1 1038 126 105 ILE HD1 H 0.67 0.05 1 1039 126 105 ILE C C 180.624 0.50 1 1040 126 105 ILE CA C 56.496 0.50 1 1041 126 105 ILE CB C 35.962 0.50 1 1042 126 105 ILE CG1 C 25.7 0.50 1 1043 126 105 ILE CG2 C 15.6 0.50 1 1044 126 105 ILE CD1 C 13.3 0.50 1 1045 126 105 ILE N N 108.644 0.50 1 1046 127 106 GLY H H 7.371 0.05 1 1047 127 106 GLY HA2 H 3.54 0.05 2 1048 127 106 GLY HA3 H 4.29 0.05 2 1049 127 106 GLY C C 179.309 0.50 1 1050 127 106 GLY CA C 43.286 0.50 1 1051 127 106 GLY N N 103.229 0.50 1 1052 128 107 ILE H H 8.001 0.05 1 1053 128 107 ILE HA H 4.11 0.05 1 1054 128 107 ILE HB H 1.89 0.05 1 1055 128 107 ILE HG2 H 0.89 0.05 1 1056 128 107 ILE HD1 H 0.72 0.05 1 1057 128 107 ILE C C 180.818 0.50 1 1058 128 107 ILE CA C 57.311 0.50 1 1059 128 107 ILE CB C 30.304 0.50 1 1060 128 107 ILE CG1 C 24.5 0.50 1 1061 128 107 ILE CG2 C 16.1 0.50 1 1062 128 107 ILE CD1 C 9.72 0.50 1 1063 128 107 ILE N N 122.701 0.50 1 1064 129 108 GLN H H 7.563 0.05 1 1065 129 108 GLN HA H 4.02 0.05 1 1066 129 108 GLN HB2 H 1.97 0.05 2 1067 129 108 GLN HB3 H 2.36 0.05 2 1068 129 108 GLN HG2 H 2.39 0.05 2 1069 129 108 GLN HG3 H 2.64 0.05 2 1070 129 108 GLN C C 177.999 0.50 1 1071 129 108 GLN CA C 55.2 0.50 1 1072 129 108 GLN CB C 26.552 0.50 1 1073 129 108 GLN CG C 31.3 0.50 1 1074 129 108 GLN N N 122.4 0.50 1 1075 130 109 LYS H H 9.302 0.05 1 1076 130 109 LYS HA H 4.14 0.05 1 1077 130 109 LYS HB2 H 2.07 0.05 2 1078 130 109 LYS HB3 H 2.09 0.05 2 1079 130 109 LYS HG2 H 1.36 0.05 2 1080 130 109 LYS HG3 H 1.38 0.05 2 1081 130 109 LYS HD2 H 1.65 0.05 2 1082 130 109 LYS HD3 H 1.67 0.05 2 1083 130 109 LYS HE2 H 2.92 0.05 2 1084 130 109 LYS HE3 H 2.94 0.05 2 1085 130 109 LYS C C 177.411 0.50 1 1086 130 109 LYS CA C 54.5 0.50 1 1087 130 109 LYS CB C 26.748 0.50 1 1088 130 109 LYS CG C 23.2 0.50 1 1089 130 109 LYS CD C 26.7 0.50 1 1090 130 109 LYS CE C 39.6 0.50 1 1091 130 109 LYS N N 116.06 0.50 1 1092 131 110 MET H H 7.455 0.05 1 1093 131 110 MET HA H 4.38 0.05 1 1094 131 110 MET HB2 H 1.98 0.05 2 1095 131 110 MET HB3 H 2.15 0.05 2 1096 131 110 MET HG2 H 2.33 0.05 2 1097 131 110 MET HG3 H 2.84 0.05 2 1098 131 110 MET HE H 2.08 0.05 1 1099 131 110 MET C C 177.362 0.50 1 1100 131 110 MET CA C 55.55 0.50 1 1101 131 110 MET CB C 29.547 0.50 1 1102 131 110 MET CG C 30.6 0.50 1 1103 131 110 MET CE C 16.5 0.50 1 1104 131 110 MET N N 119.708 0.50 1 1105 132 111 THR H H 9.442 0.05 1 1106 132 111 THR HA H 4.04 0.05 1 1107 132 111 THR HB H 3.76 0.05 1 1108 132 111 THR HG2 H 1.16 0.05 1 1109 132 111 THR C C 177.515 0.50 1 1110 132 111 THR CA C 65.5 0.50 1 1111 132 111 THR CB C 64.8 0.50 1 1112 132 111 THR CG2 C 19.6 0.50 1 1113 132 111 THR N N 115.6 0.50 1 1114 133 112 GLY H H 7.962 0.05 1 1115 133 112 GLY HA2 H 3.55 0.05 2 1116 133 112 GLY HA3 H 3.86 0.05 2 1117 133 112 GLY C C 178.86 0.50 1 1118 133 112 GLY CA C 44.5 0.50 1 1119 133 112 GLY N N 108.898 0.50 1 1120 134 113 THR H H 8.007 0.05 1 1121 134 113 THR HG2 H 1.12 0.05 1 1122 134 113 THR C C 178.184 0.50 1 1123 134 113 THR CA C 64.8 0.50 1 1124 134 113 THR CB C 66.537 0.50 1 1125 134 113 THR CG2 C 18.6 0.50 1 1126 134 113 THR N N 119.852 0.50 1 1127 135 114 VAL H H 7.614 0.05 1 1128 135 114 VAL HA H 3.49 0.05 1 1129 135 114 VAL HB H 2.18 0.05 1 1130 135 114 VAL HG1 H 0.83 0.05 2 1131 135 114 VAL HG2 H 1.0 0.05 2 1132 135 114 VAL C C 177.397 0.50 1 1133 135 114 VAL CA C 64.745 0.50 1 1134 135 114 VAL CB C 29.44 0.50 1 1135 135 114 VAL CG1 C 20.3 0.50 2 1136 135 114 VAL CG2 C 20.3 0.50 2 1137 135 114 VAL N N 122.574 0.50 1 1138 136 115 LYS H H 8.343 0.05 1 1139 136 115 LYS HA H 4.3 0.05 1 1140 136 115 LYS HB2 H 1.84 0.05 2 1141 136 115 LYS HB3 H 1.97 0.05 2 1142 136 115 LYS HE2 H 2.83 0.05 2 1143 136 115 LYS HE3 H 2.85 0.05 2 1144 136 115 LYS C C 174.212 0.50 1 1145 136 115 LYS CA C 57.617 0.50 1 1146 136 115 LYS CB C 30.11 0.50 1 1147 136 115 LYS CG C 23.3 0.50 1 1148 136 115 LYS CD C 27.2 0.50 1 1149 136 115 LYS CE C 39.4 0.50 1 1150 136 115 LYS N N 118.311 0.50 1 1151 137 116 GLU H H 8.784 0.05 1 1152 137 116 GLU HA H 3.98 0.05 1 1153 137 116 GLU C C 174.759 0.50 1 1154 137 116 GLU CA C 56.7 0.50 1 1155 137 116 GLU CB C 26.345 0.50 1 1156 137 116 GLU CG C 33.8 0.50 1 1157 137 116 GLU N N 118.896 0.50 1 1158 138 117 ALA H H 7.798 0.05 1 1159 138 117 ALA HA H 4.13 0.05 1 1160 138 117 ALA HB H 1.54 0.05 1 1161 138 117 ALA C C 174.8 0.50 1 1162 138 117 ALA CA C 52.492 0.50 1 1163 138 117 ALA CB C 15.902 0.50 1 1164 138 117 ALA N N 122.679 0.50 1 1165 139 118 ALA H H 7.892 0.05 1 1166 139 118 ALA HA H 4.27 0.05 1 1167 139 118 ALA HB H 1.39 0.05 1 1168 139 118 ALA C C 176.113 0.50 1 1169 139 118 ALA CA C 50.336 0.50 1 1170 139 118 ALA CB C 15.918 0.50 1 1171 139 118 ALA N N 120.505 0.50 1 1172 140 119 GLN H H 7.345 0.05 1 1173 140 119 GLN HA H 3.96 0.05 1 1174 140 119 GLN HB2 H 2.13 0.05 2 1175 140 119 GLN HB3 H 2.18 0.05 2 1176 140 119 GLN HG2 H 2.42 0.05 2 1177 140 119 GLN HG3 H 2.53 0.05 2 1178 140 119 GLN C C 177.35 0.50 1 1179 140 119 GLN CA C 54.984 0.50 1 1180 140 119 GLN CB C 26.0 0.50 1 1181 140 119 GLN CG C 31.4 0.50 1 1182 140 119 GLN N N 115.506 0.50 1 1183 141 120 LYS H H 7.101 0.05 1 1184 141 120 LYS HA H 4.2 0.05 1 1185 141 120 LYS HE2 H 2.91 0.05 2 1186 141 120 LYS HE3 H 2.94 0.05 2 1187 141 120 LYS C C 177.315 0.50 1 1188 141 120 LYS CA C 55.359 0.50 1 1189 141 120 LYS CB C 30.769 0.50 1 1190 141 120 LYS CG C 22.5 0.50 1 1191 141 120 LYS CD C 26.5 0.50 1 1192 141 120 LYS CE C 39.6 0.50 1 1193 141 120 LYS N N 117.947 0.50 1 1194 142 121 THR H H 7.976 0.05 1 1195 142 121 THR HA H 4.59 0.05 1 1196 142 121 THR HB H 4.01 0.05 1 1197 142 121 THR HG2 H 0.94 0.05 1 1198 142 121 THR CA C 52.532 0.50 1 1199 142 121 THR CB C 67.827 0.50 1 1200 142 121 THR CG2 C 18.3 0.50 1 1201 142 121 THR N N 110.963 0.50 1 1202 143 122 PRO HA H 4.48 0.05 1 1203 143 122 PRO HB2 H 2.23 0.05 2 1204 143 122 PRO HB3 H 1.99 0.05 2 1205 143 122 PRO HG2 H 1.63 0.05 2 1206 143 122 PRO HG3 H 1.85 0.05 2 1207 143 122 PRO HD2 H 3.48 0.05 2 1208 143 122 PRO HD3 H 3.42 0.05 2 1209 143 122 PRO C C 176.747 0.50 1 1210 143 122 PRO CA C 60.1 0.50 1 1211 143 122 PRO CB C 30.263 0.50 1 1212 143 122 PRO CG C 24.4 0.50 1 1213 143 122 PRO CD C 47.7 0.50 1 1214 144 123 ALA H H 8.514 0.05 1 1215 144 123 ALA HA H 3.98 0.05 1 1216 144 123 ALA HB H 0.99 0.05 1 1217 144 123 ALA C C 179.458 0.50 1 1218 144 123 ALA CA C 49.135 0.50 1 1219 144 123 ALA CB C 15.03 0.50 1 1220 144 123 ALA N N 125.82 0.50 1 1221 145 124 THR H H 7.369 0.05 1 1222 145 124 THR HA H 4.42 0.05 1 1223 145 124 THR HB H 4.3 0.05 1 1224 145 124 THR HG2 H 1.04 0.05 1 1225 145 124 THR C C 180.482 0.50 1 1226 145 124 THR CA C 58.494 0.50 1 1227 145 124 THR CB C 67.1 0.50 1 1228 145 124 THR CG2 C 19.7 0.50 1 1229 145 124 THR N N 103.9 0.50 1 1230 146 125 THR H H 7.085 0.05 1 1231 146 125 THR HA H 4.23 0.05 1 1232 146 125 THR HB H 4.26 0.05 1 1233 146 125 THR HG2 H 1.11 0.05 1 1234 146 125 THR C C 181.578 0.50 1 1235 146 125 THR CA C 56.287 0.50 1 1236 146 125 THR CB C 70.627 0.50 1 1237 146 125 THR CG2 C 18.6 0.50 1 1238 146 125 THR N N 108.1 0.50 1 1239 147 126 ALA H H 8.02 0.05 1 1240 147 126 ALA HA H 3.14 0.05 1 1241 147 126 ALA HB H 1.15 0.05 1 1242 147 126 ALA C C 176.068 0.50 1 1243 147 126 ALA CA C 52.485 0.50 1 1244 147 126 ALA CB C 16.219 0.50 1 1245 147 126 ALA N N 123.948 0.50 1 1246 148 127 ASP H H 8.07 0.05 1 1247 148 127 ASP HA H 4.18 0.05 1 1248 148 127 ASP HB2 H 2.36 0.05 2 1249 148 127 ASP HB3 H 2.49 0.05 2 1250 148 127 ASP C C 175.29 0.50 1 1251 148 127 ASP CA C 54.744 0.50 1 1252 148 127 ASP CB C 37.228 0.50 1 1253 148 127 ASP N N 114.252 0.50 1 1254 149 128 GLY H H 7.936 0.05 1 1255 149 128 GLY HA2 H 3.54 0.05 2 1256 149 128 GLY HA3 H 3.85 0.05 2 1257 149 128 GLY C C 180.321 0.50 1 1258 149 128 GLY CA C 44.367 0.50 1 1259 149 128 GLY N N 110.182 0.50 1 1260 150 129 ILE H H 7.529 0.05 1 1261 150 129 ILE HA H 3.78 0.05 1 1262 150 129 ILE HB H 2.14 0.05 1 1263 150 129 ILE HG2 H 0.9 0.05 1 1264 150 129 ILE HD1 H 0.91 0.05 1 1265 150 129 ILE C C 176.836 0.50 1 1266 150 129 ILE CA C 58.92 0.50 1 1267 150 129 ILE CB C 32.04 0.50 1 1268 150 129 ILE CG1 C 25.4 0.50 1 1269 150 129 ILE CG2 C 16.7 0.50 1 1270 150 129 ILE CD1 C 7.1 0.50 1 1271 150 129 ILE N N 119.979 0.50 1 1272 151 130 ILE H H 8.388 0.05 1 1273 151 130 ILE HA H 3.35 0.05 1 1274 151 130 ILE HB H 1.76 0.05 1 1275 151 130 ILE HG2 H 0.88 0.05 1 1276 151 130 ILE HD1 H 0.68 0.05 1 1277 151 130 ILE C C 177.776 0.50 1 1278 151 130 ILE CA C 64.124 0.50 1 1279 151 130 ILE CB C 35.434 0.50 1 1280 151 130 ILE CG1 C 29.1 0.50 1 1281 151 130 ILE CG2 C 14.6 0.50 1 1282 151 130 ILE CD1 C 10.7 0.50 1 1283 151 130 ILE N N 120.175 0.50 1 1284 152 131 ALA H H 7.666 0.05 1 1285 152 131 ALA HA H 4.15 0.05 1 1286 152 131 ALA HB H 1.54 0.05 1 1287 152 131 ALA C C 173.22 0.50 1 1288 152 131 ALA CA C 52.479 0.50 1 1289 152 131 ALA CB C 15.454 0.50 1 1290 152 131 ALA N N 122.124 0.50 1 1291 153 132 ILE H H 8.524 0.05 1 1292 153 132 ILE HA H 3.57 0.05 1 1293 153 132 ILE HB H 1.8 0.05 1 1294 153 132 ILE HG2 H 1.24 0.05 1 1295 153 132 ILE HD1 H 0.92 0.05 1 1296 153 132 ILE C C 176.921 0.50 1 1297 153 132 ILE CA C 63.0 0.50 1 1298 153 132 ILE CB C 36.671 0.50 1 1299 153 132 ILE CG1 C 26.2 0.50 1 1300 153 132 ILE CG2 C 16.7 0.50 1 1301 153 132 ILE CD1 C 12.6 0.50 1 1302 153 132 ILE N N 123.049 0.50 1 1303 154 133 ALA H H 8.808 0.05 1 1304 154 133 ALA HA H 3.96 0.05 1 1305 154 133 ALA HB H 1.39 0.05 1 1306 154 133 ALA C C 174.762 0.50 1 1307 154 133 ALA CA C 52.62 0.50 1 1308 154 133 ALA CB C 15.343 0.50 1 1309 154 133 ALA N N 122.316 0.50 1 1310 155 134 GLN H H 8.826 0.05 1 1311 155 134 GLN HA H 3.77 0.05 1 1312 155 134 GLN HB2 H 2.16 0.05 2 1313 155 134 GLN HB3 H 2.3 0.05 2 1314 155 134 GLN HG2 H 2.53 0.05 2 1315 155 134 GLN HG3 H 2.63 0.05 2 1316 155 134 GLN C C 177.295 0.50 1 1317 155 134 GLN CA C 55.231 0.50 1 1318 155 134 GLN CB C 25.73 0.50 1 1319 155 134 GLN CG C 30.9 0.50 1 1320 155 134 GLN N N 118.505 0.50 1 1321 156 135 ALA H H 7.775 0.05 1 1322 156 135 ALA HA H 4.14 0.05 1 1323 156 135 ALA HB H 1.5 0.05 1 1324 156 135 ALA CA C 52.492 0.50 1 1325 156 135 ALA CB C 15.608 0.50 1 1326 156 135 ALA N N 122.536 0.50 1 1327 157 136 MET HA H 4.01 0.05 1 1328 157 136 MET HE H 1.9 0.05 1 1329 157 136 MET C C 175.902 0.50 1 1330 157 136 MET CA C 53.8 0.50 1 1331 157 136 MET CB C 29.5 0.50 1 1332 157 136 MET CE C 16.6 0.50 1 1333 158 137 GLU H H 8.304 0.05 1 1334 158 137 GLU HA H 3.77 0.05 1 1335 158 137 GLU C C 176.915 0.50 1 1336 158 137 GLU CA C 57.3 0.50 1 1337 158 137 GLU CB C 27.505 0.50 1 1338 158 137 GLU CG C 33.2 0.50 1 1339 158 137 GLU N N 121.905 0.50 1 1340 159 138 ASP H H 8.99 0.05 1 1341 159 138 ASP HA H 4.37 0.05 1 1342 159 138 ASP HB2 H 2.66 0.05 2 1343 159 138 ASP HB3 H 2.75 0.05 2 1344 159 138 ASP C C 175.692 0.50 1 1345 159 138 ASP CA C 54.955 0.50 1 1346 159 138 ASP CB C 37.265 0.50 1 1347 159 138 ASP N N 119.617 0.50 1 1348 160 139 LYS H H 7.345 0.05 1 1349 160 139 LYS HA H 4.29 0.05 1 1350 160 139 LYS HB2 H 1.97 0.05 2 1351 160 139 LYS HB3 H 2.12 0.05 2 1352 160 139 LYS HG2 H 1.39 0.05 2 1353 160 139 LYS HG3 H 1.45 0.05 2 1354 160 139 LYS HE2 H 2.92 0.05 2 1355 160 139 LYS HE3 H 2.94 0.05 2 1356 160 139 LYS C C 176.492 0.50 1 1357 160 139 LYS CA C 56.371 0.50 1 1358 160 139 LYS CB C 28.307 0.50 1 1359 160 139 LYS CG C 21.7 0.50 1 1360 160 139 LYS CD C 25.6 0.50 1 1361 160 139 LYS CE C 39.6 0.50 1 1362 160 139 LYS N N 120.615 0.50 1 1363 161 140 LEU H H 8.501 0.05 1 1364 161 140 LEU HA H 3.84 0.05 1 1365 161 140 LEU HB2 H 1.46 0.05 2 1366 161 140 LEU HB3 H 2.14 0.05 2 1367 161 140 LEU HG H 1.9 0.05 1 1368 161 140 LEU HD1 H 0.83 0.05 2 1369 161 140 LEU HD2 H 0.83 0.05 2 1370 161 140 LEU C C 175.923 0.50 1 1371 161 140 LEU CA C 56.065 0.50 1 1372 161 140 LEU CB C 38.4 0.50 1 1373 161 140 LEU CG C 23.9 0.50 1 1374 161 140 LEU CD1 C 21.1 0.50 2 1375 161 140 LEU CD2 C 20.7 0.50 2 1376 161 140 LEU N N 118.928 0.50 1 1377 162 141 ASN H H 8.978 0.05 1 1378 162 141 ASN HA H 4.45 0.05 1 1379 162 141 ASN HB2 H 2.82 0.05 2 1380 162 141 ASN HB3 H 2.98 0.05 2 1381 162 141 ASN C C 176.515 0.50 1 1382 162 141 ASN CA C 53.564 0.50 1 1383 162 141 ASN CB C 35.476 0.50 1 1384 162 141 ASN N N 117.228 0.50 1 1385 163 142 ASN H H 7.976 0.05 1 1386 163 142 ASN HA H 4.47 0.05 1 1387 163 142 ASN HB2 H 2.95 0.05 2 1388 163 142 ASN HB3 H 3.05 0.05 2 1389 163 142 ASN C C 176.445 0.50 1 1390 163 142 ASN CA C 54.419 0.50 1 1391 163 142 ASN CB C 35.997 0.50 1 1392 163 142 ASN N N 120.878 0.50 1 1393 164 143 VAL H H 8.476 0.05 1 1394 164 143 VAL HA H 3.77 0.05 1 1395 164 143 VAL HB H 2.14 0.05 1 1396 164 143 VAL HG1 H 1.07 0.05 2 1397 164 143 VAL HG2 H 1.16 0.05 2 1398 164 143 VAL C C 175.625 0.50 1 1399 164 143 VAL CA C 64.126 0.50 1 1400 164 143 VAL CB C 29.011 0.50 1 1401 164 143 VAL CG1 C 20.2 0.50 2 1402 164 143 VAL CG2 C 20.2 0.50 2 1403 164 143 VAL N N 120.282 0.50 1 1404 165 144 ASN H H 9.031 0.05 1 1405 165 144 ASN HA H 4.41 0.05 1 1406 165 144 ASN HB2 H 3.06 0.05 2 1407 165 144 ASN HB3 H 3.15 0.05 2 1408 165 144 ASN C C 175.445 0.50 1 1409 165 144 ASN CA C 53.871 0.50 1 1410 165 144 ASN CB C 36.621 0.50 1 1411 165 144 ASN N N 120.633 0.50 1 1412 166 145 LYS H H 8.136 0.05 1 1413 166 145 LYS HA H 4.14 0.05 1 1414 166 145 LYS HE2 H 2.97 0.05 2 1415 166 145 LYS HE3 H 2.99 0.05 2 1416 166 145 LYS C C 176.115 0.50 1 1417 166 145 LYS CA C 57.661 0.50 1 1418 166 145 LYS CB C 29.407 0.50 1 1419 166 145 LYS CG C 22.3 0.50 1 1420 166 145 LYS CD C 26.2 0.50 1 1421 166 145 LYS CE C 39.7 0.50 1 1422 166 145 LYS N N 122.353 0.50 1 1423 167 146 LYS H H 7.486 0.05 1 1424 167 146 LYS HA H 4.17 0.05 1 1425 167 146 LYS HE2 H 3.0 0.05 2 1426 167 146 LYS HE3 H 3.02 0.05 2 1427 167 146 LYS C C 174.344 0.50 1 1428 167 146 LYS CA C 57.077 0.50 1 1429 167 146 LYS CB C 29.278 0.50 1 1430 167 146 LYS CG C 22.6 0.50 1 1431 167 146 LYS CD C 26.3 0.50 1 1432 167 146 LYS CE C 39.6 0.50 1 1433 167 146 LYS N N 118.365 0.50 1 1434 168 147 GLN H H 8.44 0.05 1 1435 168 147 GLN HA H 4.16 0.05 1 1436 168 147 GLN C C 176.26 0.50 1 1437 168 147 GLN CA C 54.919 0.50 1 1438 168 147 GLN CB C 25.449 0.50 1 1439 168 147 GLN CG C 33.2 0.50 1 1440 168 147 GLN N N 117.217 0.50 1 1441 169 148 HIS H H 8.202 0.05 1 1442 169 148 HIS HA H 4.03 0.05 1 1443 169 148 HIS HB2 H 3.29 0.05 2 1444 169 148 HIS HB3 H 3.35 0.05 2 1445 169 148 HIS HD2 H 7.39 0.05 1 1446 169 148 HIS HE1 H 8.67 0.05 1 1447 169 148 HIS C C 176.684 0.50 1 1448 169 148 HIS CA C 58.98 0.50 1 1449 169 148 HIS CB C 25.148 0.50 1 1450 169 148 HIS CD2 C 120.8 0.50 1 1451 169 148 HIS CE1 C 137.4 0.50 1 1452 169 148 HIS N N 116.407 0.50 1 1453 170 149 ASP H H 8.7 0.05 1 1454 170 149 ASP HA H 4.37 0.05 1 1455 170 149 ASP HB2 H 2.66 0.05 2 1456 170 149 ASP HB3 H 2.74 0.05 2 1457 170 149 ASP C C 176.647 0.50 1 1458 170 149 ASP CA C 54.96 0.50 1 1459 170 149 ASP CB C 37.16 0.50 1 1460 170 149 ASP N N 122.48 0.50 1 1461 171 150 ALA H H 7.77 0.05 1 1462 171 150 ALA HA H 4.15 0.05 1 1463 171 150 ALA HB H 1.5 0.05 1 1464 171 150 ALA CA C 52.492 0.50 1 1465 171 150 ALA CB C 15.608 0.50 1 1466 171 150 ALA N N 122.452 0.50 1 1467 172 151 LEU H H 8.0 0.05 1 1468 172 151 LEU HA H 3.95 0.05 1 1469 172 151 LEU HB2 H 1.61 0.05 2 1470 172 151 LEU HB3 H 1.75 0.05 2 1471 172 151 LEU HG H 1.65 0.05 1 1472 172 151 LEU HD1 H 0.82 0.05 2 1473 172 151 LEU HD2 H 0.82 0.05 2 1474 172 151 LEU C C 176.027 0.50 1 1475 172 151 LEU CA C 55.152 0.50 1 1476 172 151 LEU CB C 39.8 0.50 1 1477 172 151 LEU CG C 24.1 0.50 1 1478 172 151 LEU CD1 C 22.6 0.50 2 1479 172 151 LEU CD2 C 22.6 0.50 2 1480 172 151 LEU N N 120.5 0.50 1 1481 173 152 LYS H H 7.858 0.05 1 1482 173 152 LYS HA H 4.0 0.05 1 1483 173 152 LYS HB2 H 1.89 0.05 2 1484 173 152 LYS HB3 H 1.93 0.05 2 1485 173 152 LYS HG2 H 1.44 0.05 2 1486 173 152 LYS HG3 H 1.52 0.05 2 1487 173 152 LYS HD2 H 1.67 0.05 2 1488 173 152 LYS HD3 H 1.7 0.05 2 1489 173 152 LYS HE2 H 2.96 0.05 2 1490 173 152 LYS HE3 H 2.98 0.05 2 1491 173 152 LYS C C 176.12 0.50 1 1492 173 152 LYS CA C 56.522 0.50 1 1493 173 152 LYS CB C 29.453 0.50 1 1494 173 152 LYS CG C 22.1 0.50 1 1495 173 152 LYS CD C 26.8 0.50 1 1496 173 152 LYS CE C 39.5 0.50 1 1497 173 152 LYS N N 119.755 0.50 1 1498 174 153 ASN H H 7.715 0.05 1 1499 174 153 ASN HA H 4.52 0.05 1 1500 174 153 ASN HB2 H 2.83 0.05 2 1501 174 153 ASN HB3 H 2.98 0.05 2 1502 174 153 ASN C C 177.958 0.50 1 1503 174 153 ASN CA C 52.513 0.50 1 1504 174 153 ASN CB C 36.029 0.50 1 1505 174 153 ASN N N 116.584 0.50 1 1506 175 154 LEU H H 7.614 0.05 1 1507 175 154 LEU HA H 4.12 0.05 1 1508 175 154 LEU HB2 H 1.71 0.05 2 1509 175 154 LEU HB3 H 1.8 0.05 2 1510 175 154 LEU HG H 1.38 0.05 1 1511 175 154 LEU HD1 H 0.86 0.05 2 1512 175 154 LEU HD2 H 0.86 0.05 2 1513 175 154 LEU C C 175.981 0.50 1 1514 175 154 LEU CA C 54.834 0.50 1 1515 175 154 LEU CB C 39.54 0.50 1 1516 175 154 LEU CG C 22.6 0.50 1 1517 175 154 LEU CD1 C 21.3 0.50 2 1518 175 154 LEU CD2 C 21.3 0.50 2 1519 175 154 LEU N N 120.378 0.50 1 1520 176 155 LYS H H 7.878 0.05 1 1521 176 155 LYS HA H 4.14 0.05 1 1522 176 155 LYS HE2 H 2.92 0.05 2 1523 176 155 LYS HE3 H 2.94 0.05 2 1524 176 155 LYS C C 176.663 0.50 1 1525 176 155 LYS CA C 54.905 0.50 1 1526 176 155 LYS CB C 29.677 0.50 1 1527 176 155 LYS CG C 22.1 0.50 1 1528 176 155 LYS CD C 26.1 0.50 1 1529 176 155 LYS CE C 39.5 0.50 1 1530 176 155 LYS N N 119.162 0.50 1 1531 177 156 GLU H H 8.007 0.05 1 1532 177 156 GLU HA H 4.16 0.05 1 1533 177 156 GLU HB2 H 1.99 0.05 2 1534 177 156 GLU HB3 H 2.1 0.05 2 1535 177 156 GLU HG2 H 2.29 0.05 2 1536 177 156 GLU HG3 H 2.38 0.05 2 1537 177 156 GLU C C 177.3 0.50 1 1538 177 156 GLU CA C 54.89 0.50 1 1539 177 156 GLU CB C 27.078 0.50 1 1540 177 156 GLU CG C 33.2 0.50 1 1541 177 156 GLU N N 119.896 0.50 1 1542 178 157 LYS H H 7.979 0.05 1 1543 178 157 LYS HA H 4.2 0.05 1 1544 178 157 LYS HB2 H 1.85 0.05 2 1545 178 157 LYS HB3 H 1.97 0.05 2 1546 178 157 LYS HG2 H 1.45 0.05 2 1547 178 157 LYS HG3 H 1.56 0.05 2 1548 178 157 LYS HE2 H 2.95 0.05 2 1549 178 157 LYS HE3 H 2.97 0.05 2 1550 178 157 LYS C C 177.747 0.50 1 1551 178 157 LYS CA C 54.419 0.50 1 1552 178 157 LYS CB C 30.018 0.50 1 1553 178 157 LYS CG C 22.1 0.50 1 1554 178 157 LYS CD C 26.3 0.50 1 1555 178 157 LYS CE C 39.5 0.50 1 1556 178 157 LYS N N 120.878 0.50 1 1557 179 158 ALA H H 7.959 0.05 1 1558 179 158 ALA HA H 4.25 0.05 1 1559 179 158 ALA HB H 1.39 0.05 1 1560 179 158 ALA C C 176.648 0.50 1 1561 179 158 ALA CA C 50.134 0.50 1 1562 179 158 ALA CB C 16.246 0.50 1 1563 179 158 ALA N N 123.591 0.50 1 1564 180 159 LYS H H 8.053 0.05 1 1565 180 159 LYS HA H 4.29 0.05 1 1566 180 159 LYS HB2 H 1.73 0.05 2 1567 180 159 LYS HB3 H 1.84 0.05 2 1568 180 159 LYS HG2 H 1.37 0.05 2 1569 180 159 LYS HG3 H 1.45 0.05 2 1570 180 159 LYS HD2 H 1.62 0.05 2 1571 180 159 LYS HD3 H 1.68 0.05 2 1572 180 159 LYS HE2 H 2.95 0.05 2 1573 180 159 LYS HE3 H 2.97 0.05 2 1574 180 159 LYS C C 177.694 0.50 1 1575 180 159 LYS CA C 54.084 0.50 1 1576 180 159 LYS CB C 30.204 0.50 1 1577 180 159 LYS CG C 22.1 0.50 1 1578 180 159 LYS CD C 26.3 0.50 1 1579 180 159 LYS CE C 39.5 0.50 1 1580 180 159 LYS N N 120.035 0.50 1 1581 181 160 THR H H 7.963 0.05 1 1582 181 160 THR HA H 4.29 0.05 1 1583 181 160 THR HB H 4.22 0.05 1 1584 181 160 THR HG2 H 1.19 0.05 1 1585 181 160 THR C C 180.484 0.50 1 1586 181 160 THR CA C 59.0 0.50 1 1587 181 160 THR CB C 67.134 0.50 1 1588 181 160 THR CG2 C 19.0 0.50 1 1589 181 160 THR N N 114.465 0.50 1 1590 182 161 ALA H H 8.214 0.05 1 1591 182 161 ALA HA H 4.38 0.05 1 1592 182 161 ALA HB H 1.39 0.05 1 1593 182 161 ALA C C 176.914 0.50 1 1594 182 161 ALA CA C 49.928 0.50 1 1595 182 161 ALA CB C 16.704 0.50 1 1596 182 161 ALA N N 126.39 0.50 1 1597 183 162 THR H H 8.13 0.05 1 1598 183 162 THR HA H 4.41 0.05 1 1599 183 162 THR HB H 4.25 0.05 1 1600 183 162 THR HG2 H 1.19 0.05 1 1601 183 162 THR C C 179.98 0.50 1 1602 183 162 THR CA C 58.977 0.50 1 1603 183 162 THR CB C 67.096 0.50 1 1604 183 162 THR CG2 C 19.0 0.50 1 1605 183 162 THR N N 113.501 0.50 1 1606 184 163 THR H H 8.135 0.05 1 1607 184 163 THR HA H 4.43 0.05 1 1608 184 163 THR HB H 4.26 0.05 1 1609 184 163 THR HG2 H 1.18 0.05 1 1610 184 163 THR C C 180.724 0.50 1 1611 184 163 THR CA C 58.97 0.50 1 1612 184 163 THR CB C 67.166 0.50 1 1613 184 163 THR CG2 C 18.9 0.50 1 1614 184 163 THR N N 116.54 0.50 1 1615 185 164 THR H H 7.788 0.05 1 1616 185 164 THR CA C 60.545 0.50 1 1617 185 164 THR CB C 67.807 0.50 1 1618 185 164 THR N N 121.363 0.50 1 stop_ save_