data_25435 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of Amylase binding Protein A of Streptococcous gordonii: a potential receptor for human salivary amylase enzyme ; _BMRB_accession_number 25435 _BMRB_flat_file_name bmr25435.str _Entry_type original _Submission_date 2015-01-18 _Accession_date 2015-01-18 _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 Sethi Ashish . . 2 Mohanty Biswaranjan . . 3 Ramasubbu Narayanan . . 4 Gooley Paul R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 825 "13C chemical shifts" 640 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-18 update BMRB 'update entry citation' 2015-05-11 original author 'original release' stop_ _Original_release_date 2015-05-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of amylase-binding protein A of Streptococcus gordonii: A potential receptor for human salivary alpha-amylase enzyme ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25739638 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sethi Ashish . . 2 Mohanty Biswaranjan . . 3 Ramasubbu Narayanan . . 4 Gooley Paul R. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 24 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1013 _Page_last 1018 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Amylase 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 19170.961 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; MADEATDAARNNDGAYYLQT QFTNADKVNEYLAQHDGEIR AEAAADPAVVAAKAALDAVE GGSHNYGEVKAAYEAAFNNA FNAVRNKYVQRFQATYNNAT EQEGKTYIQGETPEQANARY LKRVGAANNQNPAAEDKGAT TPASKEEAKKSEAAAKNAGK AAGKALPKTSAVKHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 23 MET 2 24 ALA 3 25 ASP 4 26 GLU 5 27 ALA 6 28 THR 7 29 ASP 8 30 ALA 9 31 ALA 10 32 ARG 11 33 ASN 12 34 ASN 13 35 ASP 14 36 GLY 15 37 ALA 16 38 TYR 17 39 TYR 18 40 LEU 19 41 GLN 20 42 THR 21 43 GLN 22 44 PHE 23 45 THR 24 46 ASN 25 47 ALA 26 48 ASP 27 49 LYS 28 50 VAL 29 51 ASN 30 52 GLU 31 53 TYR 32 54 LEU 33 55 ALA 34 56 GLN 35 57 HIS 36 58 ASP 37 59 GLY 38 60 GLU 39 61 ILE 40 62 ARG 41 63 ALA 42 64 GLU 43 65 ALA 44 66 ALA 45 67 ALA 46 68 ASP 47 69 PRO 48 70 ALA 49 71 VAL 50 72 VAL 51 73 ALA 52 74 ALA 53 75 LYS 54 76 ALA 55 77 ALA 56 78 LEU 57 79 ASP 58 80 ALA 59 81 VAL 60 82 GLU 61 83 GLY 62 84 GLY 63 85 SER 64 86 HIS 65 87 ASN 66 88 TYR 67 89 GLY 68 90 GLU 69 91 VAL 70 92 LYS 71 93 ALA 72 94 ALA 73 95 TYR 74 96 GLU 75 97 ALA 76 98 ALA 77 99 PHE 78 100 ASN 79 101 ASN 80 102 ALA 81 103 PHE 82 104 ASN 83 105 ALA 84 106 VAL 85 107 ARG 86 108 ASN 87 109 LYS 88 110 TYR 89 111 VAL 90 112 GLN 91 113 ARG 92 114 PHE 93 115 GLN 94 116 ALA 95 117 THR 96 118 TYR 97 119 ASN 98 120 ASN 99 121 ALA 100 122 THR 101 123 GLU 102 124 GLN 103 125 GLU 104 126 GLY 105 127 LYS 106 128 THR 107 129 TYR 108 130 ILE 109 131 GLN 110 132 GLY 111 133 GLU 112 134 THR 113 135 PRO 114 136 GLU 115 137 GLN 116 138 ALA 117 139 ASN 118 140 ALA 119 141 ARG 120 142 TYR 121 143 LEU 122 144 LYS 123 145 ARG 124 146 VAL 125 147 GLY 126 148 ALA 127 149 ALA 128 150 ASN 129 151 ASN 130 152 GLN 131 153 ASN 132 154 PRO 133 155 ALA 134 156 ALA 135 157 GLU 136 158 ASP 137 159 LYS 138 160 GLY 139 161 ALA 140 162 THR 141 163 THR 142 164 PRO 143 165 ALA 144 166 SER 145 167 LYS 146 168 GLU 147 169 GLU 148 170 ALA 149 171 LYS 150 172 LYS 151 173 SER 152 174 GLU 153 175 ALA 154 176 ALA 155 177 ALA 156 178 LYS 157 179 ASN 158 180 ALA 159 181 GLY 160 182 LYS 161 183 ALA 162 184 ALA 163 185 GLY 164 186 LYS 165 187 ALA 166 188 LEU 167 189 PRO 168 190 LYS 169 191 THR 170 192 SER 171 193 ALA 172 194 VAL 173 195 LYS 174 196 HIS 175 197 HIS 176 198 HIS 177 199 HIS 178 200 HIS 179 201 HIS 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 firmicutes 29390 Bacteria . Streptococcus gordonii Challis 'abpA gene' 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' . . . . pET29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 50 mM Sodium Phosphate, 100 mM NaCl at pH 5.8, 15N13C-labeled AbpA (325 uM), Temperature = 298 K ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 325 uM 'U-98% 13C; U-98% 15N' 'Sodium phosphate' 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data collection' processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.3 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version 2.0.1 loop_ _Vendor _Address _Electronic_address 'Herrmann and Wuthrich' . . stop_ loop_ _Task 'NOE assignment' 'peak picking' 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_OPALp _Saveframe_category software _Name OPALp _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Koradi,Billeter and Guntert' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_CccoNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CccoNH' _Sample_label $sample_1 save_ save_3D_HcccoNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HcccoNH' _Sample_label $sample_1 save_ save_3D_15N_resolved_[1H,1H]-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_3D_13Cali_resolved_[1H,1H]-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13Cali resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_3D_13Caro_resolved_[1H,1H]-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13Caro resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_2D_15N{1H}-NOE_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N{1H}-NOE' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 50 mM Sodium Phosphate, 100 mM NaCl at pH 5.8 15N13C-labeled AbpA (325 uM) ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 5.8 . 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D HNCACO' '3D CccoNH' '3D HcccoNH' '3D 15N resolved [1H,1H]-NOESY' '3D 13Cali resolved [1H,1H]-NOESY' '3D 13Caro resolved [1H,1H]-NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 24 2 ALA C C 173.615 0.10 1 2 24 2 ALA CA C 51.931 0.10 1 3 24 2 ALA CB C 19.336 0.10 1 4 25 3 ASP H H 8.604 0.02 1 5 25 3 ASP C C 176.000 0.10 1 6 25 3 ASP CA C 54.671 0.10 1 7 25 3 ASP CB C 41.168 0.10 1 8 25 3 ASP N N 119.221 0.10 1 9 26 4 GLU H H 8.524 0.02 1 10 26 4 GLU HA H 4.141 0.02 1 11 26 4 GLU HB2 H 1.882 0.02 2 12 26 4 GLU HB3 H 1.957 0.02 2 13 26 4 GLU HG2 H 2.182 0.02 2 14 26 4 GLU HG3 H 2.182 0.02 2 15 26 4 GLU C C 176.725 0.10 1 16 26 4 GLU CA C 57.192 0.10 1 17 26 4 GLU CB C 30.124 0.10 1 18 26 4 GLU CG C 36.245 0.10 1 19 26 4 GLU N N 120.721 0.10 1 20 27 5 ALA H H 8.381 0.02 1 21 27 5 ALA HA H 4.244 0.02 1 22 27 5 ALA HB H 1.305 0.02 1 23 27 5 ALA C C 178.450 0.10 1 24 27 5 ALA CA C 52.881 0.10 1 25 27 5 ALA CB C 19.174 0.10 1 26 27 5 ALA N N 123.768 0.10 1 27 28 6 THR H H 7.993 0.02 1 28 28 6 THR HA H 4.186 0.02 1 29 28 6 THR HB H 4.141 0.02 1 30 28 6 THR HG2 H 1.109 0.02 1 31 28 6 THR C C 174.868 0.10 1 32 28 6 THR CA C 62.343 0.10 1 33 28 6 THR CB C 69.818 0.10 1 34 28 6 THR CG2 C 21.783 0.10 1 35 28 6 THR N N 112.206 0.10 1 36 29 7 ASP H H 8.213 0.02 1 37 29 7 ASP HA H 4.480 0.02 1 38 29 7 ASP HB2 H 2.629 0.02 2 39 29 7 ASP HB3 H 2.551 0.02 2 40 29 7 ASP C C 176.571 0.10 1 41 29 7 ASP CA C 54.839 0.10 1 42 29 7 ASP CB C 41.138 0.10 1 43 29 7 ASP N N 121.490 0.10 1 44 30 8 ALA H H 8.070 0.02 1 45 30 8 ALA HA H 4.162 0.02 1 46 30 8 ALA HB H 1.300 0.02 1 47 30 8 ALA C C 178.131 0.10 1 48 30 8 ALA CA C 53.132 0.10 1 49 30 8 ALA CB C 19.049 0.10 1 50 30 8 ALA N N 123.333 0.10 1 51 31 9 ALA H H 8.037 0.02 1 52 31 9 ALA HA H 4.155 0.02 1 53 31 9 ALA HB H 1.293 0.02 1 54 31 9 ALA C C 178.241 0.10 1 55 31 9 ALA CA C 52.936 0.10 1 56 31 9 ALA CB C 18.970 0.10 1 57 31 9 ALA N N 120.874 0.10 1 58 32 10 ARG H H 7.934 0.02 1 59 32 10 ARG HA H 4.175 0.02 1 60 32 10 ARG HB2 H 1.722 0.02 2 61 32 10 ARG HB3 H 1.779 0.02 2 62 32 10 ARG HG2 H 1.484 0.02 2 63 32 10 ARG HG3 H 1.484 0.02 2 64 32 10 ARG HD2 H 3.073 0.02 2 65 32 10 ARG HD3 H 3.073 0.02 2 66 32 10 ARG C C 176.395 0.10 1 67 32 10 ARG CA C 56.349 0.10 1 68 32 10 ARG CB C 30.709 0.10 1 69 32 10 ARG CG C 27.258 0.10 1 70 32 10 ARG CD C 43.268 0.10 1 71 32 10 ARG N N 118.211 0.10 1 72 33 11 ASN H H 8.199 0.02 1 73 33 11 ASN HA H 4.590 0.02 1 74 33 11 ASN HB2 H 2.666 0.02 2 75 33 11 ASN HB3 H 2.742 0.02 2 76 33 11 ASN C C 175.253 0.10 1 77 33 11 ASN CA C 53.648 0.10 1 78 33 11 ASN CB C 38.964 0.10 1 79 33 11 ASN N N 118.115 0.10 1 80 34 12 ASN H H 8.303 0.02 1 81 34 12 ASN HA H 4.585 0.02 1 82 34 12 ASN HB2 H 2.663 0.02 2 83 34 12 ASN HB3 H 2.741 0.02 2 84 34 12 ASN C C 175.165 0.10 1 85 34 12 ASN CA C 53.604 0.10 1 86 34 12 ASN CB C 38.813 0.10 1 87 34 12 ASN N N 118.415 0.10 1 88 35 13 ASP H H 8.192 0.02 1 89 35 13 ASP HA H 4.481 0.02 1 90 35 13 ASP HB2 H 2.553 0.02 2 91 35 13 ASP HB3 H 2.621 0.02 2 92 35 13 ASP C C 177.044 0.10 1 93 35 13 ASP CA C 54.761 0.10 1 94 35 13 ASP CB C 41.221 0.10 1 95 35 13 ASP N N 119.625 0.10 1 96 36 14 GLY H H 8.268 0.02 1 97 36 14 GLY HA2 H 3.815 0.02 2 98 36 14 GLY HA3 H 3.815 0.02 2 99 36 14 GLY C C 174.461 0.10 1 100 36 14 GLY CA C 45.614 0.10 1 101 36 14 GLY N N 108.182 0.10 1 102 37 15 ALA H H 7.961 0.02 1 103 37 15 ALA HA H 4.128 0.02 1 104 37 15 ALA HB H 1.173 0.02 1 105 37 15 ALA C C 177.988 0.10 1 106 37 15 ALA CA C 52.704 0.10 1 107 37 15 ALA CB C 19.039 0.10 1 108 37 15 ALA N N 122.474 0.10 1 109 38 16 TYR H H 7.961 0.02 1 110 38 16 TYR HA H 4.315 0.02 1 111 38 16 TYR HB2 H 2.834 0.02 2 112 38 16 TYR HB3 H 2.834 0.02 2 113 38 16 TYR HD1 H 6.878 0.02 3 114 38 16 TYR HD2 H 6.878 0.02 3 115 38 16 TYR C C 176.132 0.10 1 116 38 16 TYR CA C 58.709 0.10 1 117 38 16 TYR CB C 38.657 0.10 1 118 38 16 TYR CD1 C 133.189 0.10 3 119 38 16 TYR N N 118.223 0.10 1 120 39 17 TYR H H 7.750 0.02 1 121 39 17 TYR HA H 4.322 0.02 1 122 39 17 TYR HB2 H 2.872 0.02 2 123 39 17 TYR HB3 H 2.834 0.02 2 124 39 17 TYR HD1 H 6.944 0.02 3 125 39 17 TYR HD2 H 6.944 0.02 3 126 39 17 TYR C C 175.747 0.10 1 127 39 17 TYR CA C 58.323 0.10 1 128 39 17 TYR CB C 38.615 0.10 1 129 39 17 TYR CD1 C 133.340 0.10 3 130 39 17 TYR N N 119.362 0.10 1 131 40 18 LEU H H 7.776 0.02 1 132 40 18 LEU HA H 4.121 0.02 1 133 40 18 LEU HB2 H 1.445 0.02 2 134 40 18 LEU HB3 H 1.487 0.02 2 135 40 18 LEU HG H 1.357 0.02 1 136 40 18 LEU HD1 H 0.800 0.02 2 137 40 18 LEU HD2 H 0.744 0.02 2 138 40 18 LEU C C 177.395 0.10 1 139 40 18 LEU CA C 55.495 0.10 1 140 40 18 LEU CB C 42.395 0.10 1 141 40 18 LEU CG C 26.901 0.10 1 142 40 18 LEU CD1 C 24.922 0.10 2 143 40 18 LEU CD2 C 23.687 0.10 2 144 40 18 LEU N N 121.587 0.10 1 145 41 19 GLN H H 8.078 0.02 1 146 41 19 GLN HA H 4.178 0.02 1 147 41 19 GLN HB2 H 1.905 0.02 2 148 41 19 GLN HB3 H 2.026 0.02 2 149 41 19 GLN HG2 H 2.266 0.02 2 150 41 19 GLN HG3 H 2.266 0.02 2 151 41 19 GLN C C 176.571 0.10 1 152 41 19 GLN CA C 56.686 0.10 1 153 41 19 GLN CB C 29.259 0.10 1 154 41 19 GLN CG C 33.983 0.10 1 155 41 19 GLN N N 119.410 0.10 1 156 42 20 THR H H 7.897 0.02 1 157 42 20 THR HA H 4.152 0.02 1 158 42 20 THR HB H 4.057 0.02 1 159 42 20 THR HG2 H 1.024 0.02 1 160 42 20 THR C C 174.703 0.10 1 161 42 20 THR CA C 62.225 0.10 1 162 42 20 THR CB C 69.588 0.10 1 163 42 20 THR CG2 C 21.783 0.10 1 164 42 20 THR N N 112.828 0.10 1 165 43 21 GLN H H 8.112 0.02 1 166 43 21 GLN HA H 4.145 0.02 1 167 43 21 GLN HB2 H 1.769 0.02 2 168 43 21 GLN HB3 H 1.822 0.02 2 169 43 21 GLN HG2 H 2.042 0.02 2 170 43 21 GLN HG3 H 2.020 0.02 2 171 43 21 GLN HE21 H 7.267 0.02 2 172 43 21 GLN HE22 H 6.720 0.02 2 173 43 21 GLN C C 175.747 0.10 1 174 43 21 GLN CA C 56.269 0.10 1 175 43 21 GLN CB C 28.945 0.10 1 176 43 21 GLN CG C 33.620 0.10 1 177 43 21 GLN N N 120.484 0.10 1 178 43 21 GLN NE2 N 111.367 0.10 1 179 44 22 PHE H H 8.001 0.02 1 180 44 22 PHE HA H 4.661 0.02 1 181 44 22 PHE HB2 H 2.855 0.02 2 182 44 22 PHE HB3 H 3.118 0.02 2 183 44 22 PHE HD1 H 7.142 0.02 3 184 44 22 PHE HD2 H 7.142 0.02 3 185 44 22 PHE C C 176.274 0.10 1 186 44 22 PHE CA C 57.622 0.10 1 187 44 22 PHE CB C 39.955 0.10 1 188 44 22 PHE CD1 C 131.658 0.10 3 189 44 22 PHE N N 119.271 0.10 1 190 45 23 THR H H 8.236 0.02 1 191 45 23 THR HA H 4.184 0.02 1 192 45 23 THR HB H 4.150 0.02 1 193 45 23 THR HG2 H 1.115 0.02 1 194 45 23 THR C C 174.659 0.10 1 195 45 23 THR CA C 62.125 0.10 1 196 45 23 THR CB C 69.587 0.10 1 197 45 23 THR CG2 C 21.783 0.10 1 198 45 23 THR N N 114.028 0.10 1 199 46 24 ASN H H 8.284 0.02 1 200 46 24 ASN HA H 4.595 0.02 1 201 46 24 ASN HB2 H 2.737 0.02 2 202 46 24 ASN HB3 H 2.755 0.02 2 203 46 24 ASN HD21 H 6.822 0.02 2 204 46 24 ASN HD22 H 7.513 0.02 2 205 46 24 ASN C C 175.769 0.10 1 206 46 24 ASN CA C 53.826 0.10 1 207 46 24 ASN CB C 38.564 0.10 1 208 46 24 ASN N N 119.156 0.10 1 209 46 24 ASN ND2 N 111.935 0.10 1 210 47 25 ALA H H 8.131 0.02 1 211 47 25 ALA HA H 3.974 0.02 1 212 47 25 ALA HB H 1.312 0.02 1 213 47 25 ALA C C 178.549 0.10 1 214 47 25 ALA CA C 54.516 0.10 1 215 47 25 ALA CB C 18.887 0.10 1 216 47 25 ALA N N 122.503 0.10 1 217 48 26 ASP H H 8.246 0.02 1 218 48 26 ASP HA H 4.348 0.02 1 219 48 26 ASP HB2 H 2.633 0.02 2 220 48 26 ASP HB3 H 2.633 0.02 2 221 48 26 ASP C C 178.736 0.10 1 222 48 26 ASP CA C 56.785 0.10 1 223 48 26 ASP CB C 40.350 0.10 1 224 48 26 ASP N N 116.807 0.10 1 225 49 27 LYS H H 7.906 0.02 1 226 49 27 LYS HA H 4.065 0.02 1 227 49 27 LYS HB2 H 1.888 0.02 2 228 49 27 LYS HB3 H 1.963 0.02 2 229 49 27 LYS HG2 H 1.459 0.02 2 230 49 27 LYS HG3 H 1.579 0.02 2 231 49 27 LYS HD2 H 1.657 0.02 2 232 49 27 LYS HD3 H 1.657 0.02 2 233 49 27 LYS C C 179.450 0.10 1 234 49 27 LYS CA C 58.443 0.10 1 235 49 27 LYS CB C 32.115 0.10 1 236 49 27 LYS CG C 25.043 0.10 1 237 49 27 LYS CD C 28.834 0.10 1 238 49 27 LYS N N 119.106 0.10 1 239 50 28 VAL H H 7.838 0.02 1 240 50 28 VAL HA H 2.804 0.02 1 241 50 28 VAL HB H 1.820 0.02 1 242 50 28 VAL HG1 H 0.675 0.02 2 243 50 28 VAL HG2 H 0.699 0.02 2 244 50 28 VAL C C 177.285 0.10 1 245 50 28 VAL CA C 65.637 0.10 1 246 50 28 VAL CB C 31.040 0.10 1 247 50 28 VAL CG1 C 22.975 0.10 2 248 50 28 VAL CG2 C 21.487 0.10 2 249 50 28 VAL N N 120.261 0.10 1 250 51 29 ASN H H 8.139 0.02 1 251 51 29 ASN HA H 4.314 0.02 1 252 51 29 ASN HB2 H 2.782 0.02 2 253 51 29 ASN HB3 H 2.664 0.02 2 254 51 29 ASN HD21 H 7.534 0.02 2 255 51 29 ASN HD22 H 6.785 0.02 2 256 51 29 ASN C C 178.845 0.10 1 257 51 29 ASN CA C 56.448 0.10 1 258 51 29 ASN CB C 37.787 0.10 1 259 51 29 ASN N N 117.992 0.10 1 260 51 29 ASN ND2 N 110.916 0.10 1 261 52 30 GLU H H 7.910 0.02 1 262 52 30 GLU HA H 4.055 0.02 1 263 52 30 GLU HB2 H 2.023 0.02 2 264 52 30 GLU HB3 H 2.063 0.02 2 265 52 30 GLU HG2 H 2.167 0.02 2 266 52 30 GLU HG3 H 2.297 0.02 2 267 52 30 GLU C C 178.175 0.10 1 268 52 30 GLU CA C 59.604 0.10 1 269 52 30 GLU CB C 29.761 0.10 1 270 52 30 GLU CG C 36.245 0.10 1 271 52 30 GLU N N 121.014 0.10 1 272 53 31 TYR H H 7.610 0.02 1 273 53 31 TYR HA H 4.245 0.02 1 274 53 31 TYR HB2 H 2.732 0.02 2 275 53 31 TYR HB3 H 2.794 0.02 2 276 53 31 TYR HD1 H 6.987 0.02 3 277 53 31 TYR HD2 H 6.987 0.02 3 278 53 31 TYR C C 178.867 0.10 1 279 53 31 TYR CA C 61.653 0.10 1 280 53 31 TYR CB C 38.812 0.10 1 281 53 31 TYR CD1 C 133.299 0.10 3 282 53 31 TYR N N 121.437 0.10 1 283 54 32 LEU H H 8.579 0.02 1 284 54 32 LEU HA H 3.659 0.02 1 285 54 32 LEU HB2 H 1.881 0.02 2 286 54 32 LEU HB3 H 1.156 0.02 2 287 54 32 LEU HG H 1.919 0.02 1 288 54 32 LEU HD1 H 0.729 0.02 2 289 54 32 LEU HD2 H 0.751 0.02 2 290 54 32 LEU C C 180.153 0.10 1 291 54 32 LEU CA C 57.725 0.10 1 292 54 32 LEU CB C 41.548 0.10 1 293 54 32 LEU CG C 26.441 0.10 1 294 54 32 LEU CD1 C 25.652 0.10 2 295 54 32 LEU CD2 C 22.849 0.10 2 296 54 32 LEU N N 118.315 0.10 1 297 55 33 ALA H H 7.953 0.02 1 298 55 33 ALA HA H 4.114 0.02 1 299 55 33 ALA HB H 1.431 0.02 1 300 55 33 ALA C C 181.548 0.10 1 301 55 33 ALA CA C 55.039 0.10 1 302 55 33 ALA CB C 17.734 0.10 1 303 55 33 ALA N N 121.314 0.10 1 304 56 34 GLN H H 8.070 0.02 1 305 56 34 GLN HA H 3.901 0.02 1 306 56 34 GLN HB2 H 2.014 0.02 2 307 56 34 GLN HB3 H 1.748 0.02 2 308 56 34 GLN HG2 H 2.363 0.02 2 309 56 34 GLN HG3 H 2.139 0.02 2 310 56 34 GLN HE21 H 7.387 0.02 2 311 56 34 GLN HE22 H 6.731 0.02 2 312 56 34 GLN C C 177.615 0.10 1 313 56 34 GLN CA C 57.749 0.10 1 314 56 34 GLN CB C 28.378 0.10 1 315 56 34 GLN CG C 33.770 0.10 1 316 56 34 GLN N N 117.231 0.10 1 317 56 34 GLN NE2 N 110.372 0.10 1 318 57 35 HIS H H 7.256 0.02 1 319 57 35 HIS HA H 4.732 0.02 1 320 57 35 HIS HB2 H 2.203 0.02 2 321 57 35 HIS HB3 H 3.330 0.02 2 322 57 35 HIS C C 173.934 0.10 1 323 57 35 HIS CA C 55.347 0.10 1 324 57 35 HIS CB C 28.086 0.10 1 325 57 35 HIS N N 111.918 0.10 1 326 58 36 ASP H H 7.094 0.02 1 327 58 36 ASP HA H 4.121 0.02 1 328 58 36 ASP HB2 H 2.476 0.02 2 329 58 36 ASP HB3 H 2.954 0.02 2 330 58 36 ASP C C 177.164 0.10 1 331 58 36 ASP CA C 59.222 0.10 1 332 58 36 ASP CB C 43.886 0.10 1 333 58 36 ASP N N 121.473 0.10 1 334 59 37 GLY H H 8.736 0.02 1 335 59 37 GLY HA2 H 3.856 0.02 2 336 59 37 GLY HA3 H 3.694 0.02 2 337 59 37 GLY C C 177.395 0.10 1 338 59 37 GLY CA C 47.485 0.10 1 339 59 37 GLY N N 103.875 0.10 1 340 60 38 GLU H H 7.783 0.02 1 341 60 38 GLU HA H 4.074 0.02 1 342 60 38 GLU HB2 H 2.200 0.02 2 343 60 38 GLU HB3 H 2.259 0.02 2 344 60 38 GLU HG2 H 2.278 0.02 2 345 60 38 GLU HG3 H 2.440 0.02 2 346 60 38 GLU C C 179.417 0.10 1 347 60 38 GLU CA C 59.354 0.10 1 348 60 38 GLU CB C 29.799 0.10 1 349 60 38 GLU CG C 36.721 0.10 1 350 60 38 GLU N N 122.558 0.10 1 351 61 39 ILE H H 8.047 0.02 1 352 61 39 ILE HA H 3.246 0.02 1 353 61 39 ILE HB H 1.648 0.02 1 354 61 39 ILE HG12 H 0.858 0.02 2 355 61 39 ILE HG13 H -0.372 0.02 2 356 61 39 ILE HG2 H 0.249 0.02 1 357 61 39 ILE HD1 H 0.329 0.02 1 358 61 39 ILE C C 178.417 0.10 1 359 61 39 ILE CA C 65.046 0.10 1 360 61 39 ILE CB C 37.715 0.10 1 361 61 39 ILE CG1 C 28.616 0.10 1 362 61 39 ILE CG2 C 17.448 0.10 1 363 61 39 ILE CD1 C 14.479 0.10 1 364 61 39 ILE N N 121.413 0.10 1 365 62 40 ARG H H 8.510 0.02 1 366 62 40 ARG HA H 3.969 0.02 1 367 62 40 ARG HB2 H 1.862 0.02 2 368 62 40 ARG HB3 H 1.862 0.02 2 369 62 40 ARG C C 179.021 0.10 1 370 62 40 ARG CA C 60.849 0.10 1 371 62 40 ARG CB C 29.979 0.10 1 372 62 40 ARG N N 117.064 0.10 1 373 63 41 ALA H H 7.915 0.02 1 374 63 41 ALA HA H 4.117 0.02 1 375 63 41 ALA HB H 1.451 0.02 1 376 63 41 ALA C C 180.823 0.10 1 377 63 41 ALA CA C 55.068 0.10 1 378 63 41 ALA CB C 18.045 0.10 1 379 63 41 ALA N N 120.884 0.10 1 380 64 42 GLU H H 7.933 0.02 1 381 64 42 GLU HA H 4.024 0.02 1 382 64 42 GLU HB2 H 2.192 0.02 2 383 64 42 GLU HB3 H 2.085 0.02 2 384 64 42 GLU HG2 H 2.497 0.02 2 385 64 42 GLU HG3 H 2.497 0.02 2 386 64 42 GLU C C 180.285 0.10 1 387 64 42 GLU CA C 59.843 0.10 1 388 64 42 GLU CB C 29.767 0.10 1 389 64 42 GLU CG C 36.840 0.10 1 390 64 42 GLU N N 118.623 0.10 1 391 65 43 ALA H H 8.434 0.02 1 392 65 43 ALA HA H 3.763 0.02 1 393 65 43 ALA HB H 1.103 0.02 1 394 65 43 ALA C C 178.357 0.10 1 395 65 43 ALA CA C 55.406 0.10 1 396 65 43 ALA CB C 17.269 0.10 1 397 65 43 ALA N N 122.509 0.10 1 398 66 44 ALA H H 7.932 0.02 1 399 66 44 ALA HA H 4.188 0.02 1 400 66 44 ALA HB H 1.572 0.02 1 401 66 44 ALA C C 177.416 0.10 1 402 66 44 ALA CA C 53.799 0.10 1 403 66 44 ALA CB C 18.670 0.10 1 404 66 44 ALA N N 114.523 0.10 1 405 67 45 ALA H H 7.090 0.02 1 406 67 45 ALA HA H 4.235 0.02 1 407 67 45 ALA HB H 1.407 0.02 1 408 67 45 ALA C C 177.641 0.10 1 409 67 45 ALA CA C 51.118 0.10 1 410 67 45 ALA CB C 19.204 0.10 1 411 67 45 ALA N N 115.713 0.10 1 412 68 46 ASP H H 7.418 0.02 1 413 68 46 ASP HA H 4.644 0.02 1 414 68 46 ASP HB2 H 2.700 0.02 2 415 68 46 ASP HB3 H 2.801 0.02 2 416 68 46 ASP C C 175.984 0.10 1 417 68 46 ASP CA C 52.811 0.10 1 418 68 46 ASP CB C 43.436 0.10 1 419 68 46 ASP N N 123.519 0.10 1 420 69 47 PRO HA H 4.119 0.02 1 421 69 47 PRO HB2 H 2.345 0.02 2 422 69 47 PRO HB3 H 1.943 0.02 2 423 69 47 PRO HG2 H 2.023 0.02 2 424 69 47 PRO HG3 H 2.106 0.02 2 425 69 47 PRO HD2 H 3.953 0.02 2 426 69 47 PRO HD3 H 3.713 0.02 2 427 69 47 PRO C C 179.417 0.10 1 428 69 47 PRO CA C 65.717 0.10 1 429 69 47 PRO CB C 32.289 0.10 1 430 69 47 PRO CG C 27.913 0.10 1 431 69 47 PRO CD C 50.945 0.10 1 432 70 48 ALA H H 8.562 0.02 1 433 70 48 ALA HA H 4.208 0.02 1 434 70 48 ALA HB H 1.455 0.02 1 435 70 48 ALA C C 181.410 0.10 1 436 70 48 ALA CA C 55.188 0.10 1 437 70 48 ALA CB C 18.165 0.10 1 438 70 48 ALA N N 119.935 0.10 1 439 71 49 VAL H H 7.719 0.02 1 440 71 49 VAL HA H 3.459 0.02 1 441 71 49 VAL HB H 2.530 0.02 1 442 71 49 VAL HG1 H 1.258 0.02 2 443 71 49 VAL HG2 H 0.888 0.02 2 444 71 49 VAL C C 177.604 0.10 1 445 71 49 VAL CA C 66.655 0.10 1 446 71 49 VAL CB C 31.400 0.10 1 447 71 49 VAL CG1 C 23.807 0.10 2 448 71 49 VAL CG2 C 24.468 0.10 2 449 71 49 VAL N N 121.702 0.10 1 450 72 50 VAL H H 8.386 0.02 1 451 72 50 VAL HA H 3.598 0.02 1 452 72 50 VAL HB H 1.943 0.02 1 453 72 50 VAL HG1 H 1.007 0.02 2 454 72 50 VAL HG2 H 0.906 0.02 2 455 72 50 VAL C C 180.131 0.10 1 456 72 50 VAL CA C 66.686 0.10 1 457 72 50 VAL CB C 32.437 0.10 1 458 72 50 VAL CG1 C 22.973 0.10 2 459 72 50 VAL CG2 C 21.069 0.10 2 460 72 50 VAL N N 120.070 0.10 1 461 73 51 ALA H H 7.875 0.02 1 462 73 51 ALA HA H 4.183 0.02 1 463 73 51 ALA HB H 1.429 0.02 1 464 73 51 ALA C C 180.713 0.10 1 465 73 51 ALA CA C 55.171 0.10 1 466 73 51 ALA CB C 18.139 0.10 1 467 73 51 ALA N N 120.237 0.10 1 468 74 52 ALA H H 7.869 0.02 1 469 74 52 ALA HA H 4.192 0.02 1 470 74 52 ALA HB H 1.642 0.02 1 471 74 52 ALA C C 181.021 0.10 1 472 74 52 ALA CA C 54.992 0.10 1 473 74 52 ALA CB C 18.272 0.10 1 474 74 52 ALA N N 121.575 0.10 1 475 75 53 LYS H H 9.412 0.02 1 476 75 53 LYS HA H 3.598 0.02 1 477 75 53 LYS HB2 H 2.055 0.02 2 478 75 53 LYS HB3 H 1.984 0.02 2 479 75 53 LYS HG2 H 1.322 0.02 2 480 75 53 LYS HG3 H 1.322 0.02 2 481 75 53 LYS HD2 H 0.963 0.02 2 482 75 53 LYS HD3 H 1.546 0.02 2 483 75 53 LYS HE2 H 2.774 0.02 2 484 75 53 LYS HE3 H 2.774 0.02 2 485 75 53 LYS C C 177.472 0.10 1 486 75 53 LYS CA C 57.958 0.10 1 487 75 53 LYS CB C 32.140 0.10 1 488 75 53 LYS CG C 24.819 0.10 1 489 75 53 LYS CD C 27.752 0.10 1 490 75 53 LYS CE C 42.343 0.10 1 491 75 53 LYS N N 122.648 0.10 1 492 76 54 ALA H H 7.955 0.02 1 493 76 54 ALA HA H 4.112 0.02 1 494 76 54 ALA HB H 1.428 0.02 1 495 76 54 ALA C C 181.109 0.10 1 496 76 54 ALA CA C 55.138 0.10 1 497 76 54 ALA CB C 17.587 0.10 1 498 76 54 ALA N N 120.764 0.10 1 499 77 55 ALA H H 7.454 0.02 1 500 77 55 ALA HA H 4.028 0.02 1 501 77 55 ALA HB H 1.391 0.02 1 502 77 55 ALA C C 179.977 0.10 1 503 77 55 ALA CA C 54.770 0.10 1 504 77 55 ALA CB C 17.872 0.10 1 505 77 55 ALA N N 118.857 0.10 1 506 78 56 LEU H H 7.444 0.02 1 507 78 56 LEU HA H 3.925 0.02 1 508 78 56 LEU HB2 H 1.878 0.02 2 509 78 56 LEU HB3 H 1.019 0.02 2 510 78 56 LEU HG H 1.468 0.02 1 511 78 56 LEU HD1 H 0.505 0.02 2 512 78 56 LEU HD2 H 0.515 0.02 2 513 78 56 LEU C C 178.560 0.10 1 514 78 56 LEU CA C 57.096 0.10 1 515 78 56 LEU CB C 42.435 0.10 1 516 78 56 LEU CG C 26.807 0.10 1 517 78 56 LEU CD1 C 23.568 0.10 2 518 78 56 LEU CD2 C 26.613 0.10 2 519 78 56 LEU N N 119.374 0.10 1 520 79 57 ASP H H 8.571 0.02 1 521 79 57 ASP HA H 4.269 0.02 1 522 79 57 ASP HB2 H 2.567 0.02 2 523 79 57 ASP HB3 H 2.567 0.02 2 524 79 57 ASP C C 177.197 0.10 1 525 79 57 ASP CA C 56.512 0.10 1 526 79 57 ASP CB C 40.248 0.10 1 527 79 57 ASP N N 117.939 0.10 1 528 80 58 ALA H H 7.130 0.02 1 529 80 58 ALA HA H 4.289 0.02 1 530 80 58 ALA HB H 1.416 0.02 1 531 80 58 ALA C C 177.791 0.10 1 532 80 58 ALA CA C 52.388 0.10 1 533 80 58 ALA CB C 19.512 0.10 1 534 80 58 ALA N N 118.195 0.10 1 535 81 59 VAL H H 7.439 0.02 1 536 81 59 VAL HA H 4.257 0.02 1 537 81 59 VAL HB H 2.199 0.02 1 538 81 59 VAL HG1 H 1.010 0.02 2 539 81 59 VAL HG2 H 1.049 0.02 2 540 81 59 VAL C C 175.121 0.10 1 541 81 59 VAL CA C 61.509 0.10 1 542 81 59 VAL CB C 33.248 0.10 1 543 81 59 VAL CG1 C 22.142 0.10 2 544 81 59 VAL CG2 C 21.682 0.10 2 545 81 59 VAL N N 116.828 0.10 1 546 82 60 GLU H H 8.357 0.02 1 547 82 60 GLU HA H 4.213 0.02 1 548 82 60 GLU HB2 H 1.900 0.02 2 549 82 60 GLU HB3 H 1.982 0.02 2 550 82 60 GLU HG2 H 2.274 0.02 2 551 82 60 GLU HG3 H 2.257 0.02 2 552 82 60 GLU C C 178.076 0.10 1 553 82 60 GLU CA C 56.537 0.10 1 554 82 60 GLU CB C 30.744 0.10 1 555 82 60 GLU CG C 36.460 0.10 1 556 82 60 GLU N N 123.427 0.10 1 557 83 61 GLY H H 8.602 0.02 1 558 83 61 GLY HA2 H 3.444 0.02 2 559 83 61 GLY HA3 H 2.980 0.02 2 560 83 61 GLY C C 175.055 0.10 1 561 83 61 GLY CA C 46.225 0.10 1 562 83 61 GLY N N 110.054 0.10 1 563 84 62 GLY H H 7.848 0.02 1 564 84 62 GLY HA2 H 3.823 0.02 2 565 84 62 GLY HA3 H 3.853 0.02 2 566 84 62 GLY C C 174.824 0.10 1 567 84 62 GLY CA C 45.087 0.10 1 568 84 62 GLY N N 108.000 0.10 1 569 85 63 SER H H 7.806 0.02 1 570 85 63 SER HA H 4.418 0.02 1 571 85 63 SER HB2 H 3.946 0.02 2 572 85 63 SER HB3 H 4.064 0.02 2 573 85 63 SER C C 176.780 0.10 1 574 85 63 SER CA C 58.663 0.10 1 575 85 63 SER CB C 64.310 0.10 1 576 85 63 SER N N 114.523 0.10 1 577 86 64 HIS HA H 4.446 0.02 1 578 86 64 HIS HB2 H 3.231 0.02 2 579 86 64 HIS HB3 H 3.258 0.02 2 580 86 64 HIS C C 175.604 0.10 1 581 86 64 HIS CA C 58.333 0.10 1 582 86 64 HIS CB C 28.833 0.10 1 583 87 65 ASN H H 8.389 0.02 1 584 87 65 ASN HA H 4.789 0.02 1 585 87 65 ASN HB2 H 2.812 0.02 2 586 87 65 ASN HB3 H 2.680 0.02 2 587 87 65 ASN C C 175.329 0.10 1 588 87 65 ASN CA C 53.019 0.10 1 589 87 65 ASN CB C 38.141 0.10 1 590 87 65 ASN N N 114.784 0.10 1 591 88 66 TYR H H 7.662 0.02 1 592 88 66 TYR HA H 3.748 0.02 1 593 88 66 TYR HB2 H 3.178 0.02 2 594 88 66 TYR HB3 H 2.867 0.02 2 595 88 66 TYR HD1 H 6.890 0.02 3 596 88 66 TYR HD2 H 6.890 0.02 3 597 88 66 TYR HE1 H 6.725 0.02 3 598 88 66 TYR HE2 H 6.725 0.02 3 599 88 66 TYR C C 176.527 0.10 1 600 88 66 TYR CA C 62.672 0.10 1 601 88 66 TYR CB C 38.904 0.10 1 602 88 66 TYR CD1 C 133.506 0.10 3 603 88 66 TYR CE1 C 117.924 0.10 3 604 88 66 TYR N N 120.287 0.10 1 605 89 67 GLY H H 8.668 0.02 1 606 89 67 GLY HA2 H 3.527 0.02 2 607 89 67 GLY HA3 H 3.866 0.02 2 608 89 67 GLY C C 177.252 0.10 1 609 89 67 GLY CA C 47.363 0.10 1 610 89 67 GLY N N 103.685 0.10 1 611 90 68 GLU H H 7.883 0.02 1 612 90 68 GLU HA H 4.047 0.02 1 613 90 68 GLU HB2 H 2.052 0.02 2 614 90 68 GLU HB3 H 2.193 0.02 2 615 90 68 GLU HG2 H 2.218 0.02 2 616 90 68 GLU HG3 H 2.290 0.02 2 617 90 68 GLU C C 179.516 0.10 1 618 90 68 GLU CA C 59.342 0.10 1 619 90 68 GLU CB C 29.630 0.10 1 620 90 68 GLU CG C 36.496 0.10 1 621 90 68 GLU N N 121.489 0.10 1 622 91 69 VAL H H 7.784 0.02 1 623 91 69 VAL HA H 3.759 0.02 1 624 91 69 VAL HB H 1.860 0.02 1 625 91 69 VAL HG1 H 0.806 0.02 2 626 91 69 VAL HG2 H 0.955 0.02 2 627 91 69 VAL C C 179.768 0.10 1 628 91 69 VAL CA C 65.695 0.10 1 629 91 69 VAL CB C 31.470 0.10 1 630 91 69 VAL CG1 C 22.356 0.10 2 631 91 69 VAL CG2 C 22.201 0.10 2 632 91 69 VAL N N 119.841 0.10 1 633 92 70 LYS H H 8.674 0.02 1 634 92 70 LYS HA H 3.869 0.02 1 635 92 70 LYS HB2 H 1.634 0.02 2 636 92 70 LYS HB3 H 1.155 0.02 2 637 92 70 LYS HG2 H 1.255 0.02 2 638 92 70 LYS HG3 H 1.255 0.02 2 639 92 70 LYS HD2 H 1.678 0.02 2 640 92 70 LYS HD3 H 1.678 0.02 2 641 92 70 LYS HE2 H 2.930 0.02 2 642 92 70 LYS HE3 H 2.930 0.02 2 643 92 70 LYS C C 178.263 0.10 1 644 92 70 LYS CA C 60.013 0.10 1 645 92 70 LYS CB C 32.220 0.10 1 646 92 70 LYS CG C 24.817 0.10 1 647 92 70 LYS CD C 29.544 0.10 1 648 92 70 LYS CE C 42.377 0.10 1 649 92 70 LYS N N 123.640 0.10 1 650 93 71 ALA H H 7.993 0.02 1 651 93 71 ALA HA H 4.108 0.02 1 652 93 71 ALA HB H 1.429 0.02 1 653 93 71 ALA C C 181.044 0.10 1 654 93 71 ALA CA C 55.051 0.10 1 655 93 71 ALA CB C 17.915 0.10 1 656 93 71 ALA N N 120.115 0.10 1 657 94 72 ALA H H 7.849 0.02 1 658 94 72 ALA HA H 4.127 0.02 1 659 94 72 ALA HB H 1.481 0.02 1 660 94 72 ALA C C 181.120 0.10 1 661 94 72 ALA CA C 54.873 0.10 1 662 94 72 ALA CB C 17.974 0.10 1 663 94 72 ALA N N 120.161 0.10 1 664 95 73 TYR H H 7.766 0.02 1 665 95 73 TYR HA H 4.152 0.02 1 666 95 73 TYR HB2 H 2.927 0.02 2 667 95 73 TYR HB3 H 3.139 0.02 2 668 95 73 TYR HD1 H 6.863 0.02 3 669 95 73 TYR HD2 H 6.863 0.02 3 670 95 73 TYR HE1 H 6.643 0.02 3 671 95 73 TYR HE2 H 6.643 0.02 3 672 95 73 TYR C C 176.011 0.10 1 673 95 73 TYR CA C 61.419 0.10 1 674 95 73 TYR CB C 37.911 0.10 1 675 95 73 TYR CD1 C 133.217 0.10 3 676 95 73 TYR CE1 C 117.887 0.10 3 677 95 73 TYR N N 120.300 0.10 1 678 96 74 GLU H H 8.403 0.02 1 679 96 74 GLU HA H 3.505 0.02 1 680 96 74 GLU HB2 H 1.915 0.02 2 681 96 74 GLU HB3 H 1.954 0.02 2 682 96 74 GLU HG2 H 2.481 0.02 2 683 96 74 GLU HG3 H 2.187 0.02 2 684 96 74 GLU C C 179.329 0.10 1 685 96 74 GLU CA C 59.521 0.10 1 686 96 74 GLU CB C 28.934 0.10 1 687 96 74 GLU CG C 36.780 0.10 1 688 96 74 GLU N N 118.837 0.10 1 689 97 75 ALA H H 8.164 0.02 1 690 97 75 ALA HA H 4.102 0.02 1 691 97 75 ALA HB H 1.387 0.02 1 692 97 75 ALA C C 180.230 0.10 1 693 97 75 ALA CA C 55.079 0.10 1 694 97 75 ALA CB C 17.973 0.10 1 695 97 75 ALA N N 119.568 0.10 1 696 98 76 ALA H H 7.789 0.02 1 697 98 76 ALA HA H 4.019 0.02 1 698 98 76 ALA HB H 1.304 0.02 1 699 98 76 ALA C C 180.922 0.10 1 700 98 76 ALA CA C 55.079 0.10 1 701 98 76 ALA CB C 17.210 0.10 1 702 98 76 ALA N N 120.251 0.10 1 703 99 77 PHE H H 8.973 0.02 1 704 99 77 PHE HA H 3.708 0.02 1 705 99 77 PHE HB2 H 2.655 0.02 2 706 99 77 PHE HB3 H 2.337 0.02 2 707 99 77 PHE HD1 H 6.996 0.02 3 708 99 77 PHE HD2 H 6.996 0.02 3 709 99 77 PHE C C 176.659 0.10 1 710 99 77 PHE CA C 62.432 0.10 1 711 99 77 PHE CB C 38.440 0.10 1 712 99 77 PHE CD1 C 132.013 0.10 3 713 99 77 PHE N N 119.554 0.10 1 714 100 78 ASN H H 8.570 0.02 1 715 100 78 ASN HA H 4.269 0.02 1 716 100 78 ASN HB2 H 2.820 0.02 2 717 100 78 ASN HB3 H 2.720 0.02 2 718 100 78 ASN HD21 H 6.930 0.02 2 719 100 78 ASN HD22 H 7.514 0.02 2 720 100 78 ASN C C 177.890 0.10 1 721 100 78 ASN CA C 56.710 0.10 1 722 100 78 ASN CB C 38.200 0.10 1 723 100 78 ASN N N 117.251 0.10 1 724 100 78 ASN ND2 N 111.733 0.10 1 725 101 79 ASN H H 8.024 0.02 1 726 101 79 ASN HA H 4.403 0.02 1 727 101 79 ASN HB2 H 2.803 0.02 2 728 101 79 ASN HB3 H 2.756 0.02 2 729 101 79 ASN HD21 H 7.520 0.02 2 730 101 79 ASN HD22 H 6.886 0.02 2 731 101 79 ASN C C 177.944 0.10 1 732 101 79 ASN CA C 56.388 0.10 1 733 101 79 ASN CB C 38.474 0.10 1 734 101 79 ASN N N 116.886 0.10 1 735 101 79 ASN ND2 N 112.323 0.10 1 736 102 80 ALA H H 7.822 0.02 1 737 102 80 ALA HA H 4.150 0.02 1 738 102 80 ALA HB H 1.351 0.02 1 739 102 80 ALA C C 179.021 0.10 1 740 102 80 ALA CA C 55.167 0.10 1 741 102 80 ALA CB C 19.622 0.10 1 742 102 80 ALA N N 122.968 0.10 1 743 103 81 PHE H H 9.153 0.02 1 744 103 81 PHE HA H 3.524 0.02 1 745 103 81 PHE HB2 H 2.268 0.02 2 746 103 81 PHE HB3 H 2.871 0.02 2 747 103 81 PHE HD1 H 6.859 0.02 3 748 103 81 PHE HD2 H 6.859 0.02 3 749 103 81 PHE C C 176.967 0.10 1 750 103 81 PHE CA C 61.517 0.10 1 751 103 81 PHE CB C 39.290 0.10 1 752 103 81 PHE CD1 C 131.476 0.10 3 753 103 81 PHE N N 118.985 0.10 1 754 104 82 ASN H H 8.107 0.02 1 755 104 82 ASN HA H 4.117 0.02 1 756 104 82 ASN HB2 H 2.673 0.02 2 757 104 82 ASN HB3 H 2.834 0.02 2 758 104 82 ASN HD21 H 7.551 0.02 2 759 104 82 ASN HD22 H 6.830 0.02 2 760 104 82 ASN C C 177.549 0.10 1 761 104 82 ASN CA C 56.567 0.10 1 762 104 82 ASN CB C 38.339 0.10 1 763 104 82 ASN N N 115.838 0.10 1 764 104 82 ASN ND2 N 111.745 0.10 1 765 105 83 ALA H H 7.657 0.02 1 766 105 83 ALA HA H 4.124 0.02 1 767 105 83 ALA HB H 1.478 0.02 1 768 105 83 ALA C C 181.340 0.10 1 769 105 83 ALA CA C 55.554 0.10 1 770 105 83 ALA CB C 18.162 0.10 1 771 105 83 ALA N N 121.943 0.10 1 772 106 84 VAL H H 8.543 0.02 1 773 106 84 VAL HA H 3.581 0.02 1 774 106 84 VAL HB H 1.818 0.02 1 775 106 84 VAL HG1 H 0.968 0.02 2 776 106 84 VAL HG2 H 1.063 0.02 2 777 106 84 VAL C C 178.747 0.10 1 778 106 84 VAL CA C 66.871 0.10 1 779 106 84 VAL CB C 31.289 0.10 1 780 106 84 VAL CG1 C 22.410 0.10 2 781 106 84 VAL CG2 C 24.837 0.10 2 782 106 84 VAL N N 120.288 0.10 1 783 107 85 ARG H H 8.720 0.02 1 784 107 85 ARG HA H 3.524 0.02 1 785 107 85 ARG HB2 H 1.309 0.02 2 786 107 85 ARG HB3 H 1.659 0.02 2 787 107 85 ARG HG2 H 1.309 0.02 2 788 107 85 ARG HG3 H 1.309 0.02 2 789 107 85 ARG HD2 H 2.819 0.02 2 790 107 85 ARG HD3 H 2.819 0.02 2 791 107 85 ARG HE H 7.118 0.02 1 792 107 85 ARG C C 178.340 0.10 1 793 107 85 ARG CA C 60.834 0.10 1 794 107 85 ARG CB C 29.877 0.10 1 795 107 85 ARG CG C 27.853 0.10 1 796 107 85 ARG CD C 43.982 0.10 1 797 107 85 ARG N N 120.392 0.10 1 798 107 85 ARG NE N 82.806 0.10 1 799 108 86 ASN H H 7.892 0.02 1 800 108 86 ASN HA H 4.349 0.02 1 801 108 86 ASN HB2 H 2.760 0.02 2 802 108 86 ASN HB3 H 2.867 0.02 2 803 108 86 ASN C C 177.923 0.10 1 804 108 86 ASN CA C 56.539 0.10 1 805 108 86 ASN CB C 38.013 0.10 1 806 108 86 ASN N N 115.109 0.10 1 807 109 87 LYS H H 7.687 0.02 1 808 109 87 LYS HA H 4.061 0.02 1 809 109 87 LYS HB2 H 2.014 0.02 2 810 109 87 LYS HB3 H 2.126 0.02 2 811 109 87 LYS HG2 H 1.146 0.02 2 812 109 87 LYS HG3 H 1.067 0.02 2 813 109 87 LYS HD2 H 1.615 0.02 2 814 109 87 LYS HD3 H 1.615 0.02 2 815 109 87 LYS C C 179.724 0.10 1 816 109 87 LYS CA C 59.869 0.10 1 817 109 87 LYS CB C 31.714 0.10 1 818 109 87 LYS CG C 24.997 0.10 1 819 109 87 LYS CD C 29.817 0.10 1 820 109 87 LYS N N 120.739 0.10 1 821 110 88 TYR H H 8.418 0.02 1 822 110 88 TYR HA H 3.998 0.02 1 823 110 88 TYR HB2 H 3.186 0.02 2 824 110 88 TYR HB3 H 2.714 0.02 2 825 110 88 TYR C C 178.911 0.10 1 826 110 88 TYR CA C 62.794 0.10 1 827 110 88 TYR CB C 38.270 0.10 1 828 110 88 TYR N N 120.461 0.10 1 829 111 89 VAL H H 8.651 0.02 1 830 111 89 VAL HA H 3.460 0.02 1 831 111 89 VAL HB H 2.238 0.02 1 832 111 89 VAL HG1 H 1.028 0.02 2 833 111 89 VAL HG2 H 0.876 0.02 2 834 111 89 VAL C C 178.153 0.10 1 835 111 89 VAL CA C 67.787 0.10 1 836 111 89 VAL CB C 31.781 0.10 1 837 111 89 VAL CG1 C 24.223 0.10 2 838 111 89 VAL CG2 C 21.606 0.10 2 839 111 89 VAL N N 120.906 0.10 1 840 112 90 GLN H H 7.920 0.02 1 841 112 90 GLN HA H 3.946 0.02 1 842 112 90 GLN HB2 H 2.064 0.02 2 843 112 90 GLN HB3 H 2.103 0.02 2 844 112 90 GLN HG2 H 2.466 0.02 2 845 112 90 GLN HG3 H 2.344 0.02 2 846 112 90 GLN C C 179.230 0.10 1 847 112 90 GLN CA C 59.095 0.10 1 848 112 90 GLN CB C 28.013 0.10 1 849 112 90 GLN CG C 34.162 0.10 1 850 112 90 GLN N N 117.370 0.10 1 851 113 91 ARG H H 7.842 0.02 1 852 113 91 ARG HA H 3.935 0.02 1 853 113 91 ARG HB2 H 1.788 0.02 2 854 113 91 ARG HB3 H 1.788 0.02 2 855 113 91 ARG HG2 H 1.559 0.02 2 856 113 91 ARG HG3 H 1.459 0.02 2 857 113 91 ARG HD2 H 2.711 0.02 2 858 113 91 ARG HD3 H 2.890 0.02 2 859 113 91 ARG C C 178.845 0.10 1 860 113 91 ARG CA C 59.041 0.10 1 861 113 91 ARG CB C 30.174 0.10 1 862 113 91 ARG CG C 26.874 0.10 1 863 113 91 ARG CD C 43.800 0.10 1 864 113 91 ARG N N 119.216 0.10 1 865 114 92 PHE H H 8.154 0.02 1 866 114 92 PHE HA H 3.672 0.02 1 867 114 92 PHE HB2 H 2.425 0.02 2 868 114 92 PHE HB3 H 2.928 0.02 2 869 114 92 PHE HD1 H 6.425 0.02 3 870 114 92 PHE HD2 H 6.425 0.02 3 871 114 92 PHE C C 177.890 0.10 1 872 114 92 PHE CA C 61.095 0.10 1 873 114 92 PHE CB C 38.939 0.10 1 874 114 92 PHE CD1 C 131.848 0.10 3 875 114 92 PHE N N 120.877 0.10 1 876 115 93 GLN H H 8.371 0.02 1 877 115 93 GLN HA H 3.816 0.02 1 878 115 93 GLN HB2 H 1.971 0.02 2 879 115 93 GLN HB3 H 1.971 0.02 2 880 115 93 GLN HG2 H 2.328 0.02 2 881 115 93 GLN HG3 H 2.467 0.02 2 882 115 93 GLN HE21 H 6.973 0.02 2 883 115 93 GLN HE22 H 6.743 0.02 2 884 115 93 GLN C C 177.769 0.10 1 885 115 93 GLN CA C 57.915 0.10 1 886 115 93 GLN CB C 28.344 0.10 1 887 115 93 GLN CG C 34.028 0.10 1 888 115 93 GLN N N 116.618 0.10 1 889 115 93 GLN NE2 N 109.208 0.10 1 890 116 94 ALA H H 7.665 0.02 1 891 116 94 ALA HA H 4.081 0.02 1 892 116 94 ALA HB H 1.354 0.02 1 893 116 94 ALA C C 179.065 0.10 1 894 116 94 ALA CA C 53.947 0.10 1 895 116 94 ALA CB C 18.723 0.10 1 896 116 94 ALA N N 119.167 0.10 1 897 117 95 THR H H 7.414 0.02 1 898 117 95 THR HA H 4.022 0.02 1 899 117 95 THR HB H 3.902 0.02 1 900 117 95 THR HG2 H 0.871 0.02 1 901 117 95 THR C C 175.022 0.10 1 902 117 95 THR CA C 63.130 0.10 1 903 117 95 THR CB C 69.716 0.10 1 904 117 95 THR CG2 C 21.286 0.10 1 905 117 95 THR N N 109.028 0.10 1 906 118 96 TYR H H 7.593 0.02 1 907 118 96 TYR HA H 4.173 0.02 1 908 118 96 TYR HB2 H 2.297 0.02 2 909 118 96 TYR HB3 H 2.614 0.02 2 910 118 96 TYR HD1 H 6.749 0.02 3 911 118 96 TYR HD2 H 6.749 0.02 3 912 118 96 TYR C C 175.758 0.10 1 913 118 96 TYR CA C 58.662 0.10 1 914 118 96 TYR CB C 38.425 0.10 1 915 118 96 TYR CD1 C 133.576 0.10 3 916 118 96 TYR N N 120.700 0.10 1 917 119 97 ASN H H 7.880 0.02 1 918 119 97 ASN HA H 4.495 0.02 1 919 119 97 ASN HB2 H 2.525 0.02 2 920 119 97 ASN HB3 H 2.700 0.02 2 921 119 97 ASN HD21 H 7.433 0.02 2 922 119 97 ASN HD22 H 6.738 0.02 2 923 119 97 ASN C C 174.879 0.10 1 924 119 97 ASN CA C 53.038 0.10 1 925 119 97 ASN CB C 38.883 0.10 1 926 119 97 ASN N N 118.895 0.10 1 927 119 97 ASN ND2 N 111.180 0.10 1 928 120 98 ASN H H 8.049 0.02 1 929 120 98 ASN HA H 4.517 0.02 1 930 120 98 ASN HB2 H 2.704 0.02 2 931 120 98 ASN HB3 H 2.640 0.02 2 932 120 98 ASN C C 175.242 0.10 1 933 120 98 ASN CA C 53.241 0.10 1 934 120 98 ASN CB C 38.891 0.10 1 935 120 98 ASN N N 118.142 0.10 1 936 121 99 ALA H H 8.074 0.02 1 937 121 99 ALA HA H 4.221 0.02 1 938 121 99 ALA HB H 1.297 0.02 1 939 121 99 ALA C C 178.318 0.10 1 940 121 99 ALA CA C 53.033 0.10 1 941 121 99 ALA CB C 19.190 0.10 1 942 121 99 ALA N N 123.158 0.10 1 943 122 100 THR H H 7.962 0.02 1 944 122 100 THR HA H 4.185 0.02 1 945 122 100 THR HB H 4.139 0.02 1 946 122 100 THR HG2 H 1.109 0.02 1 947 122 100 THR C C 175.165 0.10 1 948 122 100 THR CA C 62.241 0.10 1 949 122 100 THR CB C 69.704 0.10 1 950 122 100 THR CG2 C 21.752 0.10 1 951 122 100 THR N N 111.603 0.10 1 952 123 101 GLU H H 8.222 0.02 1 953 123 101 GLU HA H 4.189 0.02 1 954 123 101 GLU HB2 H 1.884 0.02 2 955 123 101 GLU HB3 H 1.957 0.02 2 956 123 101 GLU HG2 H 2.218 0.02 2 957 123 101 GLU HG3 H 2.180 0.02 2 958 123 101 GLU C C 176.802 0.10 1 959 123 101 GLU CA C 56.896 0.10 1 960 123 101 GLU CB C 30.091 0.10 1 961 123 101 GLU CG C 36.284 0.10 1 962 123 101 GLU N N 121.750 0.10 1 963 124 102 GLN H H 8.223 0.02 1 964 124 102 GLN HA H 4.151 0.02 1 965 124 102 GLN HB2 H 1.870 0.02 2 966 124 102 GLN HB3 H 2.013 0.02 2 967 124 102 GLN HG2 H 2.258 0.02 2 968 124 102 GLN HG3 H 2.258 0.02 2 969 124 102 GLN C C 176.318 0.10 1 970 124 102 GLN CA C 56.038 0.10 1 971 124 102 GLN CB C 29.479 0.10 1 972 124 102 GLN CG C 33.850 0.10 1 973 124 102 GLN N N 119.603 0.10 1 974 125 103 GLU H H 8.300 0.02 1 975 125 103 GLU HA H 4.139 0.02 1 976 125 103 GLU HB2 H 1.896 0.02 2 977 125 103 GLU HB3 H 1.972 0.02 2 978 125 103 GLU HG2 H 2.185 0.02 2 979 125 103 GLU HG3 H 2.185 0.02 2 980 125 103 GLU C C 177.252 0.10 1 981 125 103 GLU CA C 57.052 0.10 1 982 125 103 GLU CB C 30.312 0.10 1 983 125 103 GLU CG C 36.129 0.10 1 984 125 103 GLU N N 120.937 0.10 1 985 126 104 GLY H H 8.362 0.02 1 986 126 104 GLY HA2 H 3.857 0.02 2 987 126 104 GLY HA3 H 3.857 0.02 2 988 126 104 GLY C C 174.319 0.10 1 989 126 104 GLY CA C 45.491 0.10 1 990 126 104 GLY N N 108.984 0.10 1 991 127 105 LYS H H 7.994 0.02 1 992 127 105 LYS HA H 4.265 0.02 1 993 127 105 LYS HB2 H 1.658 0.02 2 994 127 105 LYS HB3 H 1.658 0.02 2 995 127 105 LYS HG2 H 1.264 0.02 2 996 127 105 LYS HG3 H 1.224 0.02 2 997 127 105 LYS HD2 H 1.549 0.02 2 998 127 105 LYS HD3 H 1.549 0.02 2 999 127 105 LYS HE2 H 2.851 0.02 2 1000 127 105 LYS HE3 H 2.851 0.02 2 1001 127 105 LYS C C 176.714 0.10 1 1002 127 105 LYS CA C 56.271 0.10 1 1003 127 105 LYS CB C 33.275 0.10 1 1004 127 105 LYS CG C 24.940 0.10 1 1005 127 105 LYS CD C 28.669 0.10 1 1006 127 105 LYS CE C 42.196 0.10 1 1007 127 105 LYS N N 119.978 0.10 1 1008 128 106 THR H H 8.030 0.02 1 1009 128 106 THR HA H 4.205 0.02 1 1010 128 106 THR HB H 4.012 0.02 1 1011 128 106 THR HG2 H 1.038 0.02 1 1012 128 106 THR C C 174.055 0.10 1 1013 128 106 THR CA C 61.841 0.10 1 1014 128 106 THR CB C 69.768 0.10 1 1015 128 106 THR CG2 C 21.697 0.10 1 1016 128 106 THR N N 114.432 0.10 1 1017 129 107 TYR H H 8.157 0.02 1 1018 129 107 TYR HA H 4.506 0.02 1 1019 129 107 TYR HB2 H 2.826 0.02 2 1020 129 107 TYR HB3 H 2.890 0.02 2 1021 129 107 TYR HD1 H 6.990 0.02 3 1022 129 107 TYR HD2 H 6.990 0.02 3 1023 129 107 TYR HE1 H 6.694 0.02 3 1024 129 107 TYR HE2 H 6.694 0.02 3 1025 129 107 TYR C C 175.340 0.10 1 1026 129 107 TYR CA C 57.651 0.10 1 1027 129 107 TYR CB C 39.115 0.10 1 1028 129 107 TYR CD1 C 133.688 0.10 3 1029 129 107 TYR CE1 C 118.184 0.10 3 1030 129 107 TYR N N 122.272 0.10 1 1031 130 108 ILE H H 8.039 0.02 1 1032 130 108 ILE HA H 3.988 0.02 1 1033 130 108 ILE HB H 1.652 0.02 1 1034 130 108 ILE HG12 H 1.299 0.02 2 1035 130 108 ILE HG13 H 1.007 0.02 2 1036 130 108 ILE HG2 H 0.738 0.02 1 1037 130 108 ILE HD1 H 0.708 0.02 1 1038 130 108 ILE C C 175.857 0.10 1 1039 130 108 ILE CA C 60.583 0.10 1 1040 130 108 ILE CB C 39.016 0.10 1 1041 130 108 ILE CG1 C 27.216 0.10 1 1042 130 108 ILE CG2 C 17.417 0.10 1 1043 130 108 ILE CD1 C 12.664 0.10 1 1044 130 108 ILE N N 123.219 0.10 1 1045 131 109 GLN H H 8.351 0.02 1 1046 131 109 GLN HA H 4.105 0.02 1 1047 131 109 GLN HB2 H 1.922 0.02 2 1048 131 109 GLN HB3 H 1.983 0.02 2 1049 131 109 GLN HG2 H 2.294 0.02 2 1050 131 109 GLN HG3 H 2.294 0.02 2 1051 131 109 GLN C C 176.494 0.10 1 1052 131 109 GLN CA C 56.295 0.10 1 1053 131 109 GLN CB C 29.114 0.10 1 1054 131 109 GLN CG C 33.591 0.10 1 1055 131 109 GLN N N 124.364 0.10 1 1056 132 110 GLY H H 8.393 0.02 1 1057 132 110 GLY HA2 H 3.833 0.02 2 1058 132 110 GLY HA3 H 3.833 0.02 2 1059 132 110 GLY C C 173.945 0.10 1 1060 132 110 GLY CA C 45.280 0.10 1 1061 132 110 GLY N N 110.412 0.10 1 1062 133 111 GLU H H 8.048 0.02 1 1063 133 111 GLU HA H 4.364 0.02 1 1064 133 111 GLU HB2 H 1.854 0.02 2 1065 133 111 GLU HB3 H 1.953 0.02 2 1066 133 111 GLU HG2 H 2.154 0.02 2 1067 133 111 GLU HG3 H 2.154 0.02 2 1068 133 111 GLU C C 176.835 0.10 1 1069 133 111 GLU CA C 56.102 0.10 1 1070 133 111 GLU CB C 31.042 0.10 1 1071 133 111 GLU CG C 36.388 0.10 1 1072 133 111 GLU N N 119.844 0.10 1 1073 134 112 THR H H 8.316 0.02 1 1074 134 112 THR HA H 4.542 0.02 1 1075 134 112 THR HB H 4.394 0.02 1 1076 134 112 THR HG2 H 1.196 0.02 1 1077 134 112 THR C C 173.604 0.10 1 1078 134 112 THR CA C 59.839 0.10 1 1079 134 112 THR CB C 68.958 0.10 1 1080 134 112 THR CG2 C 21.780 0.10 1 1081 134 112 THR N N 115.918 0.10 1 1082 135 113 PRO HA H 4.245 0.02 1 1083 135 113 PRO HB2 H 2.223 0.02 2 1084 135 113 PRO HB3 H 2.223 0.02 2 1085 135 113 PRO HG2 H 1.897 0.02 2 1086 135 113 PRO HG3 H 2.022 0.02 2 1087 135 113 PRO HD2 H 3.720 0.02 2 1088 135 113 PRO HD3 H 3.720 0.02 2 1089 135 113 PRO C C 178.355 0.10 1 1090 135 113 PRO CA C 64.445 0.10 1 1091 135 113 PRO CB C 31.900 0.10 1 1092 135 113 PRO CG C 27.853 0.10 1 1093 135 113 PRO CD C 50.766 0.10 1 1094 136 114 GLU H H 8.486 0.02 1 1095 136 114 GLU HA H 4.044 0.02 1 1096 136 114 GLU HB2 H 1.999 0.02 2 1097 136 114 GLU HB3 H 1.901 0.02 2 1098 136 114 GLU HG2 H 2.217 0.02 2 1099 136 114 GLU HG3 H 2.257 0.02 2 1100 136 114 GLU C C 178.505 0.10 1 1101 136 114 GLU CA C 58.862 0.10 1 1102 136 114 GLU CB C 29.464 0.10 1 1103 136 114 GLU CG C 36.630 0.10 1 1104 136 114 GLU N N 117.729 0.10 1 1105 137 115 GLN H H 7.950 0.02 1 1106 137 115 GLN HA H 4.073 0.02 1 1107 137 115 GLN HB2 H 1.985 0.02 2 1108 137 115 GLN HB3 H 1.932 0.02 2 1109 137 115 GLN HG2 H 2.306 0.02 2 1110 137 115 GLN HG3 H 2.306 0.02 2 1111 137 115 GLN HE21 H 6.755 0.02 2 1112 137 115 GLN HE22 H 7.294 0.02 2 1113 137 115 GLN C C 177.747 0.10 1 1114 137 115 GLN CA C 57.373 0.10 1 1115 137 115 GLN CB C 28.959 0.10 1 1116 137 115 GLN CG C 34.190 0.10 1 1117 137 115 GLN N N 120.000 0.10 1 1118 137 115 GLN NE2 N 110.857 0.10 1 1119 138 116 ALA H H 8.308 0.02 1 1120 138 116 ALA HA H 4.054 0.02 1 1121 138 116 ALA HB H 1.315 0.02 1 1122 138 116 ALA C C 179.219 0.10 1 1123 138 116 ALA CA C 54.150 0.10 1 1124 138 116 ALA CB C 18.688 0.10 1 1125 138 116 ALA N N 123.137 0.10 1 1126 139 117 ASN H H 8.216 0.02 1 1127 139 117 ASN HA H 4.493 0.02 1 1128 139 117 ASN HB2 H 2.738 0.02 2 1129 139 117 ASN HB3 H 2.738 0.02 2 1130 139 117 ASN C C 176.252 0.10 1 1131 139 117 ASN CA C 54.662 0.10 1 1132 139 117 ASN CB C 38.772 0.10 1 1133 139 117 ASN N N 115.870 0.10 1 1134 140 118 ALA H H 7.852 0.02 1 1135 140 118 ALA HA H 4.086 0.02 1 1136 140 118 ALA HB H 1.353 0.02 1 1137 140 118 ALA C C 179.153 0.10 1 1138 140 118 ALA CA C 54.154 0.10 1 1139 140 118 ALA CB C 18.741 0.10 1 1140 140 118 ALA N N 121.741 0.10 1 1141 141 119 ARG H H 7.897 0.02 1 1142 141 119 ARG HA H 4.014 0.02 1 1143 141 119 ARG HB2 H 1.693 0.02 2 1144 141 119 ARG HG2 H 1.378 0.02 2 1145 141 119 ARG HG3 H 1.493 0.02 2 1146 141 119 ARG HD2 H 3.071 0.02 2 1147 141 119 ARG HD3 H 3.071 0.02 2 1148 141 119 ARG C C 177.593 0.10 1 1149 141 119 ARG CA C 58.086 0.10 1 1150 141 119 ARG CB C 30.387 0.10 1 1151 141 119 ARG CG C 27.439 0.10 1 1152 141 119 ARG CD C 43.302 0.10 1 1153 141 119 ARG N N 117.528 0.10 1 1154 142 120 TYR H H 7.861 0.02 1 1155 142 120 TYR HA H 4.347 0.02 1 1156 142 120 TYR HB2 H 2.961 0.02 2 1157 142 120 TYR HB3 H 3.065 0.02 2 1158 142 120 TYR HD1 H 7.018 0.02 3 1159 142 120 TYR HD2 H 7.018 0.02 3 1160 142 120 TYR C C 176.549 0.10 1 1161 142 120 TYR CA C 59.157 0.10 1 1162 142 120 TYR CB C 38.425 0.10 1 1163 142 120 TYR CD1 C 133.505 0.10 3 1164 142 120 TYR N N 119.079 0.10 1 1165 143 121 LEU H H 7.906 0.02 1 1166 143 121 LEU HA H 4.036 0.02 1 1167 143 121 LEU HB2 H 1.421 0.02 2 1168 143 121 LEU HB3 H 1.599 0.02 2 1169 143 121 LEU HG H 1.593 0.02 1 1170 143 121 LEU HD1 H 0.775 0.02 2 1171 143 121 LEU HD2 H 0.808 0.02 2 1172 143 121 LEU C C 178.076 0.10 1 1173 143 121 LEU CA C 55.859 0.10 1 1174 143 121 LEU CB C 42.330 0.10 1 1175 143 121 LEU CG C 27.202 0.10 1 1176 143 121 LEU CD1 C 23.073 0.10 2 1177 143 121 LEU CD2 C 25.116 0.10 2 1178 143 121 LEU N N 120.192 0.10 1 1179 144 122 LYS H H 7.837 0.02 1 1180 144 122 LYS HA H 4.107 0.02 1 1181 144 122 LYS HB2 H 1.789 0.02 2 1182 144 122 LYS HB3 H 1.721 0.02 2 1183 144 122 LYS HG2 H 1.354 0.02 2 1184 144 122 LYS HG3 H 1.354 0.02 2 1185 144 122 LYS C C 177.076 0.10 1 1186 144 122 LYS CA C 57.162 0.10 1 1187 144 122 LYS CB C 32.829 0.10 1 1188 144 122 LYS CG C 24.997 0.10 1 1189 144 122 LYS CD C 29.341 0.10 1 1190 144 122 LYS CE C 42.077 0.10 1 1191 144 122 LYS N N 119.592 0.10 1 1192 145 123 ARG H H 7.963 0.02 1 1193 145 123 ARG HA H 4.205 0.02 1 1194 145 123 ARG HB2 H 1.765 0.02 2 1195 145 123 ARG HB3 H 1.729 0.02 2 1196 145 123 ARG HG2 H 1.490 0.02 2 1197 145 123 ARG HG3 H 1.490 0.02 2 1198 145 123 ARG HD2 H 3.081 0.02 2 1199 145 123 ARG HD3 H 3.081 0.02 2 1200 145 123 ARG C C 177.000 0.10 1 1201 145 123 ARG CA C 56.805 0.10 1 1202 145 123 ARG CB C 30.714 0.10 1 1203 145 123 ARG CG C 27.199 0.10 1 1204 145 123 ARG CD C 43.446 0.10 1 1205 145 123 ARG N N 120.579 0.10 1 1206 146 124 VAL H H 8.021 0.02 1 1207 146 124 VAL HA H 3.972 0.02 1 1208 146 124 VAL HB H 1.950 0.02 1 1209 146 124 VAL HG1 H 0.789 0.02 2 1210 146 124 VAL HG2 H 0.797 0.02 2 1211 146 124 VAL C C 177.109 0.10 1 1212 146 124 VAL CA C 62.807 0.10 1 1213 146 124 VAL CB C 32.573 0.10 1 1214 146 124 VAL CG1 C 20.848 0.10 2 1215 146 124 VAL CG2 C 21.188 0.10 2 1216 146 124 VAL N N 119.201 0.10 1 1217 147 125 GLY H H 8.232 0.02 1 1218 147 125 GLY HA2 H 3.849 0.02 2 1219 147 125 GLY HA3 H 3.849 0.02 2 1220 147 125 GLY C C 174.121 0.10 1 1221 147 125 GLY CA C 45.477 0.10 1 1222 147 125 GLY N N 110.920 0.10 1 1223 148 126 ALA H H 7.975 0.02 1 1224 148 126 ALA HA H 4.200 0.02 1 1225 148 126 ALA HB H 1.299 0.02 1 1226 148 126 ALA C C 177.835 0.10 1 1227 148 126 ALA CA C 52.604 0.10 1 1228 148 126 ALA CB C 19.365 0.10 1 1229 148 126 ALA N N 122.742 0.10 1 1230 149 127 ALA H H 8.167 0.02 1 1231 149 127 ALA HA H 4.167 0.02 1 1232 149 127 ALA HB H 1.298 0.02 1 1233 149 127 ALA C C 177.747 0.10 1 1234 149 127 ALA CA C 52.630 0.10 1 1235 149 127 ALA CB C 19.223 0.10 1 1236 149 127 ALA N N 121.841 0.10 1 1237 150 128 ASN H H 8.215 0.02 1 1238 150 128 ASN HA H 4.583 0.02 1 1239 150 128 ASN HB2 H 2.739 0.02 2 1240 150 128 ASN HB3 H 2.666 0.02 2 1241 150 128 ASN C C 175.131 0.10 1 1242 150 128 ASN CA C 53.322 0.10 1 1243 150 128 ASN CB C 38.847 0.10 1 1244 150 128 ASN N N 116.418 0.10 1 1245 151 129 ASN H H 8.224 0.02 1 1246 151 129 ASN HA H 4.567 0.02 1 1247 151 129 ASN HB2 H 2.649 0.02 2 1248 151 129 ASN HB3 H 2.746 0.02 2 1249 151 129 ASN C C 175.155 0.10 1 1250 151 129 ASN CA C 53.480 0.10 1 1251 151 129 ASN CB C 38.787 0.10 1 1252 151 129 ASN N N 118.026 0.10 1 1253 152 130 GLN H H 8.218 0.02 1 1254 152 130 GLN HA H 4.185 0.02 1 1255 152 130 GLN HB2 H 1.868 0.02 2 1256 152 130 GLN HB3 H 2.012 0.02 2 1257 152 130 GLN HG2 H 2.233 0.02 2 1258 152 130 GLN HG3 H 2.233 0.02 2 1259 152 130 GLN C C 175.568 0.10 1 1260 152 130 GLN CA C 56.182 0.10 1 1261 152 130 GLN CB C 29.460 0.10 1 1262 152 130 GLN CG C 33.924 0.10 1 1263 152 130 GLN N N 119.026 0.10 1 1264 153 131 ASN H H 8.350 0.02 1 1265 153 131 ASN HA H 4.878 0.02 1 1266 153 131 ASN HB2 H 2.756 0.02 2 1267 153 131 ASN HB3 H 2.736 0.02 2 1268 153 131 ASN HD21 H 7.591 0.02 2 1269 153 131 ASN HD22 H 6.820 0.02 2 1270 153 131 ASN C C 173.421 0.10 1 1271 153 131 ASN CA C 51.273 0.10 1 1272 153 131 ASN CB C 38.907 0.10 1 1273 153 131 ASN N N 119.416 0.10 1 1274 153 131 ASN ND2 N 111.847 0.10 1 1275 154 132 PRO HA H 4.307 0.02 1 1276 154 132 PRO HB2 H 2.219 0.02 2 1277 154 132 PRO HB3 H 2.219 0.02 2 1278 154 132 PRO HG2 H 1.913 0.02 2 1279 154 132 PRO HG3 H 1.939 0.02 2 1280 154 132 PRO HD2 H 3.633 0.02 2 1281 154 132 PRO HD3 H 3.677 0.02 2 1282 154 132 PRO C C 176.890 0.10 1 1283 154 132 PRO CA C 63.235 0.10 1 1284 154 132 PRO CB C 32.138 0.10 1 1285 154 132 PRO CG C 27.370 0.10 1 1286 154 132 PRO CD C 50.590 0.10 1 1287 155 133 ALA H H 8.187 0.02 1 1288 155 133 ALA HA H 4.202 0.02 1 1289 155 133 ALA HB H 1.297 0.02 1 1290 155 133 ALA C C 177.747 0.10 1 1291 155 133 ALA CA C 52.465 0.10 1 1292 155 133 ALA CB C 19.155 0.10 1 1293 155 133 ALA N N 122.558 0.10 1 1294 156 134 ALA H H 8.038 0.02 1 1295 156 134 ALA HA H 4.163 0.02 1 1296 156 134 ALA HB H 1.297 0.02 1 1297 156 134 ALA C C 177.953 0.10 1 1298 156 134 ALA CA C 52.725 0.10 1 1299 156 134 ALA CB C 19.312 0.10 1 1300 156 134 ALA N N 122.193 0.10 1 1301 157 135 GLU H H 8.231 0.02 1 1302 157 135 GLU HA H 4.136 0.02 1 1303 157 135 GLU HB2 H 1.868 0.02 2 1304 157 135 GLU HB3 H 1.901 0.02 2 1305 157 135 GLU HG2 H 2.181 0.02 2 1306 157 135 GLU HG3 H 2.181 0.02 2 1307 157 135 GLU C C 176.274 0.10 1 1308 157 135 GLU CA C 56.686 0.10 1 1309 157 135 GLU CB C 30.476 0.10 1 1310 157 135 GLU CG C 36.245 0.10 1 1311 157 135 GLU N N 118.884 0.10 1 1312 158 136 ASP H H 8.258 0.02 1 1313 158 136 ASP HA H 4.480 0.02 1 1314 158 136 ASP HB2 H 2.548 0.02 2 1315 158 136 ASP HB3 H 2.634 0.02 2 1316 158 136 ASP C C 176.615 0.10 1 1317 158 136 ASP CA C 54.701 0.10 1 1318 158 136 ASP CB C 41.317 0.10 1 1319 158 136 ASP N N 120.916 0.10 1 1320 159 137 LYS H H 8.284 0.02 1 1321 159 137 LYS HA H 4.210 0.02 1 1322 159 137 LYS HB2 H 1.802 0.02 2 1323 159 137 LYS HB3 H 1.704 0.02 2 1324 159 137 LYS C C 177.483 0.10 1 1325 159 137 LYS CA C 56.745 0.10 1 1326 159 137 LYS CB C 32.522 0.10 1 1327 159 137 LYS N N 121.719 0.10 1 1328 160 138 GLY H H 8.377 0.02 1 1329 160 138 GLY HA2 H 3.852 0.02 2 1330 160 138 GLY HA3 H 3.852 0.02 2 1331 160 138 GLY C C 174.154 0.10 1 1332 160 138 GLY CA C 45.663 0.10 1 1333 160 138 GLY N N 108.480 0.10 1 1334 161 139 ALA H H 8.006 0.02 1 1335 161 139 ALA HA H 4.300 0.02 1 1336 161 139 ALA HB H 1.304 0.02 1 1337 161 139 ALA C C 178.164 0.10 1 1338 161 139 ALA CA C 52.793 0.10 1 1339 161 139 ALA CB C 19.354 0.10 1 1340 161 139 ALA N N 122.732 0.10 1 1341 162 140 THR H H 8.091 0.02 1 1342 162 140 THR HA H 4.285 0.02 1 1343 162 140 THR HB H 4.124 0.02 1 1344 162 140 THR HG2 H 1.112 0.02 1 1345 162 140 THR C C 174.670 0.10 1 1346 162 140 THR CA C 61.672 0.10 1 1347 162 140 THR CB C 69.764 0.10 1 1348 162 140 THR CG2 C 21.664 0.10 1 1349 162 140 THR N N 112.414 0.10 1 1350 163 141 THR H H 8.135 0.02 1 1351 163 141 THR HA H 4.538 0.02 1 1352 163 141 THR HB H 4.092 0.02 1 1353 163 141 THR HG2 H 1.163 0.02 1 1354 163 141 THR C C 172.989 0.10 1 1355 163 141 THR CA C 59.935 0.10 1 1356 163 141 THR CB C 69.680 0.10 1 1357 163 141 THR CG2 C 21.617 0.10 1 1358 163 141 THR N N 118.127 0.10 1 1359 164 142 PRO HA H 4.305 0.02 1 1360 164 142 PRO HB2 H 1.832 0.02 2 1361 164 142 PRO HB3 H 2.238 0.02 2 1362 164 142 PRO HG2 H 1.962 0.02 2 1363 164 142 PRO HG3 H 1.909 0.02 2 1364 164 142 PRO HD2 H 3.632 0.02 2 1365 164 142 PRO HD3 H 3.791 0.02 2 1366 164 142 PRO C C 177.098 0.10 1 1367 164 142 PRO CA C 63.549 0.10 1 1368 164 142 PRO CB C 32.102 0.10 1 1369 164 142 PRO CG C 27.600 0.10 1 1370 164 142 PRO CD C 50.905 0.10 1 1371 165 143 ALA H H 8.327 0.02 1 1372 165 143 ALA HA H 4.205 0.02 1 1373 165 143 ALA HB H 1.302 0.02 1 1374 165 143 ALA C C 178.307 0.10 1 1375 165 143 ALA CA C 52.886 0.10 1 1376 165 143 ALA CB C 19.282 0.10 1 1377 165 143 ALA N N 123.195 0.10 1 1378 166 144 SER H H 8.192 0.02 1 1379 166 144 SER HA H 4.324 0.02 1 1380 166 144 SER HB2 H 3.764 0.02 2 1381 166 144 SER HB3 H 3.793 0.02 2 1382 166 144 SER C C 175.231 0.10 1 1383 166 144 SER CA C 58.478 0.10 1 1384 166 144 SER CB C 63.893 0.10 1 1385 166 144 SER N N 114.303 0.10 1 1386 167 145 LYS H H 8.343 0.02 1 1387 167 145 LYS HA H 4.175 0.02 1 1388 167 145 LYS HB2 H 1.766 0.02 2 1389 167 145 LYS HB3 H 1.717 0.02 2 1390 167 145 LYS HG2 H 1.403 0.02 2 1391 167 145 LYS HG3 H 1.360 0.02 2 1392 167 145 LYS C C 177.331 0.10 1 1393 167 145 LYS CA C 57.218 0.10 1 1394 167 145 LYS CB C 32.760 0.10 1 1395 167 145 LYS CG C 24.937 0.10 1 1396 167 145 LYS N N 122.586 0.10 1 1397 168 146 GLU H H 8.267 0.02 1 1398 168 146 GLU HA H 4.140 0.02 1 1399 168 146 GLU HB2 H 1.881 0.02 2 1400 168 146 GLU HB3 H 1.958 0.02 2 1401 168 146 GLU HG2 H 2.186 0.02 2 1402 168 146 GLU HG3 H 2.186 0.02 2 1403 168 146 GLU C C 177.356 0.10 1 1404 168 146 GLU CA C 56.956 0.10 1 1405 168 146 GLU CB C 29.880 0.10 1 1406 168 146 GLU CG C 36.300 0.10 1 1407 168 146 GLU N N 120.369 0.10 1 1408 169 147 GLU H H 8.237 0.02 1 1409 169 147 GLU HA H 4.119 0.02 1 1410 169 147 GLU HB2 H 1.960 0.02 2 1411 169 147 GLU HB3 H 1.879 0.02 2 1412 169 147 GLU HG2 H 2.193 0.02 2 1413 169 147 GLU HG3 H 2.193 0.02 2 1414 169 147 GLU C C 177.176 0.10 1 1415 169 147 GLU CA C 57.401 0.10 1 1416 169 147 GLU CB C 30.145 0.10 1 1417 169 147 GLU CG C 36.000 0.10 1 1418 169 147 GLU N N 120.931 0.10 1 1419 170 148 ALA H H 8.167 0.02 1 1420 170 148 ALA HA H 4.163 0.02 1 1421 170 148 ALA HB H 1.305 0.02 1 1422 170 148 ALA C C 178.562 0.10 1 1423 170 148 ALA CA C 53.382 0.10 1 1424 170 148 ALA CB C 18.897 0.10 1 1425 170 148 ALA N N 123.637 0.10 1 1426 171 149 LYS H H 8.048 0.02 1 1427 171 149 LYS HA H 4.147 0.02 1 1428 171 149 LYS HB2 H 1.763 0.02 2 1429 171 149 LYS HB3 H 1.717 0.02 2 1430 171 149 LYS HG2 H 1.345 0.02 2 1431 171 149 LYS HG3 H 1.411 0.02 2 1432 171 149 LYS HD2 H 1.616 0.02 2 1433 171 149 LYS HD3 H 1.616 0.02 2 1434 171 149 LYS C C 177.645 0.10 1 1435 171 149 LYS CA C 57.162 0.10 1 1436 171 149 LYS CB C 32.812 0.10 1 1437 171 149 LYS CG C 24.818 0.10 1 1438 171 149 LYS CD C 29.163 0.10 1 1439 171 149 LYS CE C 42.196 0.10 1 1440 171 149 LYS N N 118.968 0.10 1 1441 172 150 LYS H H 8.131 0.02 1 1442 172 150 LYS HA H 4.147 0.02 1 1443 172 150 LYS HB2 H 1.714 0.02 2 1444 172 150 LYS HB3 H 1.763 0.02 2 1445 172 150 LYS C C 177.582 0.10 1 1446 172 150 LYS CA C 57.401 0.10 1 1447 172 150 LYS CB C 32.994 0.10 1 1448 172 150 LYS CE C 42.196 0.10 1 1449 172 150 LYS N N 121.244 0.10 1 1450 173 151 SER H H 8.229 0.02 1 1451 173 151 SER HA H 4.311 0.02 1 1452 173 151 SER HB2 H 3.859 0.02 2 1453 173 151 SER HB3 H 3.798 0.02 2 1454 173 151 SER C C 175.417 0.10 1 1455 173 151 SER CA C 59.247 0.10 1 1456 173 151 SER CB C 63.593 0.10 1 1457 173 151 SER N N 115.843 0.10 1 1458 174 152 GLU H H 8.312 0.02 1 1459 174 152 GLU HA H 4.144 0.02 1 1460 174 152 GLU HB2 H 1.959 0.02 2 1461 174 152 GLU HB3 H 1.888 0.02 2 1462 174 152 GLU HG2 H 2.159 0.02 2 1463 174 152 GLU HG3 H 2.201 0.02 2 1464 174 152 GLU C C 177.135 0.10 1 1465 174 152 GLU CA C 57.430 0.10 1 1466 174 152 GLU CB C 30.208 0.10 1 1467 174 152 GLU CG C 36.245 0.10 1 1468 174 152 GLU N N 122.338 0.10 1 1469 175 153 ALA H H 8.092 0.02 1 1470 175 153 ALA HA H 4.130 0.02 1 1471 175 153 ALA HB H 1.308 0.02 1 1472 175 153 ALA C C 178.426 0.10 1 1473 175 153 ALA CA C 53.321 0.10 1 1474 175 153 ALA CB C 18.996 0.10 1 1475 175 153 ALA N N 123.058 0.10 1 1476 176 154 ALA H H 8.013 0.02 1 1477 176 154 ALA HA H 4.150 0.02 1 1478 176 154 ALA HB H 1.301 0.02 1 1479 176 154 ALA C C 178.483 0.10 1 1480 176 154 ALA CA C 53.174 0.10 1 1481 176 154 ALA CB C 19.013 0.10 1 1482 176 154 ALA N N 121.307 0.10 1 1483 177 155 ALA H H 7.986 0.02 1 1484 177 155 ALA HA H 4.150 0.02 1 1485 177 155 ALA HB H 1.323 0.02 1 1486 177 155 ALA C C 178.670 0.10 1 1487 177 155 ALA CA C 53.136 0.10 1 1488 177 155 ALA CB C 19.055 0.10 1 1489 177 155 ALA N N 121.517 0.10 1 1490 178 156 LYS H H 8.054 0.02 1 1491 178 156 LYS HA H 4.123 0.02 1 1492 178 156 LYS HB2 H 1.758 0.02 2 1493 178 156 LYS HB3 H 1.714 0.02 2 1494 178 156 LYS HG2 H 1.355 0.02 2 1495 178 156 LYS HG3 H 1.418 0.02 2 1496 178 156 LYS HD2 H 1.595 0.02 2 1497 178 156 LYS HD3 H 1.595 0.02 2 1498 178 156 LYS C C 177.120 0.10 1 1499 178 156 LYS CA C 57.118 0.10 1 1500 178 156 LYS CB C 32.901 0.10 1 1501 178 156 LYS CG C 24.878 0.10 1 1502 178 156 LYS CD C 29.222 0.10 1 1503 178 156 LYS CE C 42.256 0.10 1 1504 178 156 LYS N N 118.967 0.10 1 1505 179 157 ASN H H 8.207 0.02 1 1506 179 157 ASN HA H 4.500 0.02 1 1507 179 157 ASN HB2 H 2.741 0.02 2 1508 179 157 ASN HB3 H 2.741 0.02 2 1509 179 157 ASN C C 175.326 0.10 1 1510 179 157 ASN CA C 54.458 0.10 1 1511 179 157 ASN CB C 38.994 0.10 1 1512 179 157 ASN N N 117.758 0.10 1 1513 180 158 ALA H H 8.066 0.02 1 1514 180 158 ALA HA H 4.194 0.02 1 1515 180 158 ALA HB H 1.326 0.02 1 1516 180 158 ALA C C 178.494 0.10 1 1517 180 158 ALA CA C 53.028 0.10 1 1518 180 158 ALA CB C 19.069 0.10 1 1519 180 158 ALA N N 123.238 0.10 1 1520 181 159 GLY H H 8.262 0.02 1 1521 181 159 GLY HA2 H 3.816 0.02 2 1522 181 159 GLY HA3 H 3.857 0.02 2 1523 181 159 GLY C C 174.529 0.10 1 1524 181 159 GLY CA C 45.508 0.10 1 1525 181 159 GLY N N 106.816 0.10 1 1526 182 160 LYS H H 7.972 0.02 1 1527 182 160 LYS HA H 4.204 0.02 1 1528 182 160 LYS C C 176.769 0.10 1 1529 182 160 LYS CA C 56.333 0.10 1 1530 182 160 LYS CB C 33.206 0.10 1 1531 182 160 LYS CG C 24.993 0.10 1 1532 182 160 LYS N N 119.667 0.10 1 1533 183 161 ALA H H 8.220 0.02 1 1534 183 161 ALA HA H 4.204 0.02 1 1535 183 161 ALA HB H 1.297 0.02 1 1536 183 161 ALA C C 177.692 0.10 1 1537 183 161 ALA CA C 52.607 0.10 1 1538 183 161 ALA CB C 19.264 0.10 1 1539 183 161 ALA N N 124.164 0.10 1 1540 184 162 ALA H H 8.145 0.02 1 1541 184 162 ALA HA H 4.196 0.02 1 1542 184 162 ALA HB H 1.300 0.02 1 1543 184 162 ALA C C 178.479 0.10 1 1544 184 162 ALA CA C 52.814 0.10 1 1545 184 162 ALA CB C 19.324 0.10 1 1546 184 162 ALA N N 122.558 0.10 1 1547 185 163 GLY H H 8.221 0.02 1 1548 185 163 GLY HA2 H 3.853 0.02 2 1549 185 163 GLY HA3 H 3.853 0.02 2 1550 185 163 GLY C C 174.176 0.10 1 1551 185 163 GLY CA C 45.398 0.10 1 1552 185 163 GLY N N 107.088 0.10 1 1553 186 164 LYS H H 7.985 0.02 1 1554 186 164 LYS HA H 4.208 0.02 1 1555 186 164 LYS HB2 H 1.647 0.02 2 1556 186 164 LYS HB3 H 1.677 0.02 2 1557 186 164 LYS C C 176.285 0.10 1 1558 186 164 LYS CA C 56.210 0.10 1 1559 186 164 LYS CB C 33.330 0.10 1 1560 186 164 LYS CG C 24.759 0.10 1 1561 186 164 LYS CD C 29.280 0.10 1 1562 186 164 LYS N N 119.914 0.10 1 1563 187 165 ALA H H 8.195 0.02 1 1564 187 165 ALA HA H 4.207 0.02 1 1565 187 165 ALA HB H 1.261 0.02 1 1566 187 165 ALA C C 177.450 0.10 1 1567 187 165 ALA CA C 52.085 0.10 1 1568 187 165 ALA CB C 19.379 0.10 1 1569 187 165 ALA N N 124.487 0.10 1 1570 188 166 LEU H H 8.171 0.02 1 1571 188 166 LEU HA H 4.490 0.02 1 1572 188 166 LEU HB2 H 1.466 0.02 2 1573 188 166 LEU HB3 H 1.511 0.02 2 1574 188 166 LEU HD1 H 0.828 0.02 2 1575 188 166 LEU HD2 H 0.828 0.02 2 1576 188 166 LEU C C 175.557 0.10 1 1577 188 166 LEU CA C 52.863 0.10 1 1578 188 166 LEU CB C 41.637 0.10 1 1579 188 166 LEU CD1 C 23.291 0.10 2 1580 188 166 LEU N N 122.587 0.10 1 1581 189 167 PRO HA H 4.329 0.02 1 1582 189 167 PRO HB2 H 1.787 0.02 2 1583 189 167 PRO HB3 H 2.216 0.02 2 1584 189 167 PRO HG2 H 1.953 0.02 2 1585 189 167 PRO HG3 H 1.915 0.02 2 1586 189 167 PRO HD2 H 3.760 0.02 2 1587 189 167 PRO HD3 H 3.549 0.02 2 1588 189 167 PRO C C 177.120 0.10 1 1589 189 167 PRO CA C 62.975 0.10 1 1590 189 167 PRO CB C 32.288 0.10 1 1591 189 167 PRO CG C 27.490 0.10 1 1592 189 167 PRO CD C 50.420 0.10 1 1593 190 168 LYS H H 8.407 0.02 1 1594 190 168 LYS HA H 4.232 0.02 1 1595 190 168 LYS HB2 H 1.687 0.02 2 1596 190 168 LYS HB3 H 1.687 0.02 2 1597 190 168 LYS C C 177.186 0.10 1 1598 190 168 LYS CA C 56.533 0.10 1 1599 190 168 LYS CB C 33.177 0.10 1 1600 190 168 LYS CG C 24.800 0.10 1 1601 190 168 LYS CD C 29.220 0.10 1 1602 190 168 LYS N N 121.028 0.10 1 1603 191 169 THR H H 8.066 0.02 1 1604 191 169 THR HA H 4.302 0.02 1 1605 191 169 THR HB H 4.141 0.02 1 1606 191 169 THR HG2 H 1.112 0.02 1 1607 191 169 THR C C 174.626 0.10 1 1608 191 169 THR CA C 61.484 0.10 1 1609 191 169 THR CB C 69.446 0.10 1 1610 191 169 THR CG2 C 21.545 0.10 1 1611 191 169 THR N N 114.199 0.10 1 1612 192 170 SER H H 8.252 0.02 1 1613 192 170 SER HA H 4.670 0.02 1 1614 192 170 SER HB2 H 3.851 0.02 2 1615 192 170 SER HB3 H 3.789 0.02 2 1616 192 170 SER C C 174.275 0.10 1 1617 192 170 SER CA C 58.323 0.10 1 1618 192 170 SER CB C 63.519 0.10 1 1619 192 170 SER N N 117.128 0.10 1 1620 193 171 ALA H H 8.256 0.02 1 1621 193 171 ALA HA H 4.238 0.02 1 1622 193 171 ALA HB H 1.270 0.02 1 1623 193 171 ALA C C 177.683 0.10 1 1624 193 171 ALA CA C 52.580 0.10 1 1625 193 171 ALA CB C 19.397 0.10 1 1626 193 171 ALA N N 125.482 0.10 1 1627 194 172 VAL H H 7.944 0.02 1 1628 194 172 VAL HA H 3.906 0.02 1 1629 194 172 VAL HB H 1.869 0.02 1 1630 194 172 VAL HG1 H 0.716 0.02 2 1631 194 172 VAL HG2 H 0.794 0.02 2 1632 194 172 VAL C C 176.077 0.10 1 1633 194 172 VAL CA C 62.194 0.10 1 1634 194 172 VAL CB C 32.858 0.10 1 1635 194 172 VAL CG1 C 21.106 0.10 2 1636 194 172 VAL CG2 C 20.858 0.10 2 1637 194 172 VAL N N 118.703 0.10 1 1638 195 173 LYS H H 8.225 0.02 1 1639 195 173 LYS C C 176.175 0.10 1 1640 195 173 LYS CA C 57.432 0.10 1 1641 195 173 LYS CB C 29.838 0.10 1 1642 195 173 LYS N N 124.438 0.10 1 stop_ save_