data_27313 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HusA from porphyromonas gingivalis ; _BMRB_accession_number 27313 _BMRB_flat_file_name bmr27313.str _Entry_type original _Submission_date 2017-11-14 _Accession_date 2017-11-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of haemophore, HusA, from porphyromonas gingivalis' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gell David A. . 2 Kwan Ann H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1107 "13C chemical shifts" 622 "15N chemical shifts" 201 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-26 update BMRB 'update entry citation' 2018-10-02 original author 'original release' stop_ _Original_release_date 2017-11-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30291238 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gao Jin-Long L. . 2 Kwan Ann H. . 3 Yammine Anthony . . 4 Zhou Xiaoyan . . 5 Trewhella Jill . . 6 Hugrass Barbara M. . 7 Collins Daniel . . 8 Horne James . . 9 Ye Ping . . 10 Harty Derek . . 11 Nguyen Ky-Anh A. . 12 Gell David A. . 13 Hunter Neil . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4097 _Page_last 4097 _Year 2018 _Details . loop_ _Keyword haem haemophore stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HusA monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HusA trans-Pro200' $HusA 'HusA cis-Pro200' $HusA stop_ _System_molecular_weight 21726.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Monomer by MALLS and SAXS' save_ ######################## # Monomeric polymers # ######################## save_HusA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HusA _Molecular_mass 21726.6 _Mol_thiol_state 'all free' loop_ _Biological_function 'Haem binding protein / haemophore' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 201 _Mol_residue_sequence ; MGQGTAYAEVMNRKVAALDS VPPTEYATLAADFSRIAAVE GSDWMAAYYTAYCRIIPAFG NPSEADRLCEEAESMLSKAE SLGGDLSEIACLRSMAASAR LLVNPQERWQTYGAESSRQL AVALEANPANPRAYFLQAQS LLYTPAQFGGGKDKALPFAE KSVSCYAAATVSPAYAPHWG EQQARQLLMLCKAETQELVP R ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 MET 2 23 GLY 3 24 GLN 4 25 GLY 5 26 THR 6 27 ALA 7 28 TYR 8 29 ALA 9 30 GLU 10 31 VAL 11 32 MET 12 33 ASN 13 34 ARG 14 35 LYS 15 36 VAL 16 37 ALA 17 38 ALA 18 39 LEU 19 40 ASP 20 41 SER 21 42 VAL 22 43 PRO 23 44 PRO 24 45 THR 25 46 GLU 26 47 TYR 27 48 ALA 28 49 THR 29 50 LEU 30 51 ALA 31 52 ALA 32 53 ASP 33 54 PHE 34 55 SER 35 56 ARG 36 57 ILE 37 58 ALA 38 59 ALA 39 60 VAL 40 61 GLU 41 62 GLY 42 63 SER 43 64 ASP 44 65 TRP 45 66 MET 46 67 ALA 47 68 ALA 48 69 TYR 49 70 TYR 50 71 THR 51 72 ALA 52 73 TYR 53 74 CYS 54 75 ARG 55 76 ILE 56 77 ILE 57 78 PRO 58 79 ALA 59 80 PHE 60 81 GLY 61 82 ASN 62 83 PRO 63 84 SER 64 85 GLU 65 86 ALA 66 87 ASP 67 88 ARG 68 89 LEU 69 90 CYS 70 91 GLU 71 92 GLU 72 93 ALA 73 94 GLU 74 95 SER 75 96 MET 76 97 LEU 77 98 SER 78 99 LYS 79 100 ALA 80 101 GLU 81 102 SER 82 103 LEU 83 104 GLY 84 105 GLY 85 106 ASP 86 107 LEU 87 108 SER 88 109 GLU 89 110 ILE 90 111 ALA 91 112 CYS 92 113 LEU 93 114 ARG 94 115 SER 95 116 MET 96 117 ALA 97 118 ALA 98 119 SER 99 120 ALA 100 121 ARG 101 122 LEU 102 123 LEU 103 124 VAL 104 125 ASN 105 126 PRO 106 127 GLN 107 128 GLU 108 129 ARG 109 130 TRP 110 131 GLN 111 132 THR 112 133 TYR 113 134 GLY 114 135 ALA 115 136 GLU 116 137 SER 117 138 SER 118 139 ARG 119 140 GLN 120 141 LEU 121 142 ALA 122 143 VAL 123 144 ALA 124 145 LEU 125 146 GLU 126 147 ALA 127 148 ASN 128 149 PRO 129 150 ALA 130 151 ASN 131 152 PRO 132 153 ARG 133 154 ALA 134 155 TYR 135 156 PHE 136 157 LEU 137 158 GLN 138 159 ALA 139 160 GLN 140 161 SER 141 162 LEU 142 163 LEU 143 164 TYR 144 165 THR 145 166 PRO 146 167 ALA 147 168 GLN 148 169 PHE 149 170 GLY 150 171 GLY 151 172 GLY 152 173 LYS 153 174 ASP 154 175 LYS 155 176 ALA 156 177 LEU 157 178 PRO 158 179 PHE 159 180 ALA 160 181 GLU 161 182 LYS 162 183 SER 163 184 VAL 164 185 SER 165 186 CYS 166 187 TYR 167 188 ALA 168 189 ALA 169 190 ALA 170 191 THR 171 192 VAL 172 193 SER 173 194 PRO 174 195 ALA 175 196 TYR 176 197 ALA 177 198 PRO 178 199 HIS 179 200 TRP 180 201 GLY 181 202 GLU 182 203 GLN 183 204 GLN 184 205 ALA 185 206 ARG 186 207 GLN 187 208 LEU 188 209 LEU 189 210 MET 190 211 LEU 191 212 CYS 192 213 LYS 193 214 ALA 194 215 GLU 195 216 THR 196 217 GLN 197 218 GLU 198 219 LEU 199 220 VAL 200 221 PRO 201 222 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value NCBI PG_RS09910 'Hypothetical protein' . . . . . GB AAQ67167.1 'Hypothetical protein Porphyromonas gingivalis gene PG_2227' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $HusA 'Porphyromonas gingivalis' 837 Bacteria . Porphyromonas gingivalis 'strain W83' PG_2227 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 $HusA 'recombinant technology' . Escherichia coli 'Strain B' BL21(DE3) pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HusA 0.9 mM 0.3 1.5 '[U-13C; U-15N]' 'sodium phosphate' 10 mM . . 'natural abundance' DSS 20 uM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HusA 0.9 mM 0.3 1.5 '[U-13C; U-15N]' 'sodium phosphate' 10 mM . . 'natural abundance' DSS 20 uM . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HusA 0.9 mM 0.3 1.5 'natural abundance' 'sodium phosphate' 10 mM . . 'natural abundance' DSS 20 uM . . 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HusA 0.9 mM 0.3 1.5 'natural abundance' 'sodium phosphate' 10 mM . . 'natural abundance' DSS 20 uM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version Talos+ loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.97 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 2.45 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 Bruker _Model Avance _Field_strength 600 _Details 'University of Sydney' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'University of Sydney' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'University of Tasmania' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBCBCGCDHD_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBCBCGCDHD' _Sample_label $sample_1 save_ save_3D_HBCBCGCDHDCEHE_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBCBCGCDHDCEHE' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_4 save_ save_2D_1H-1H_COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_4 save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 . M pH 6.9 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 . M pH 6.9 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D HBCBCGCDHD' '3D HBCBCGCDHDCEHE' '2D 1H-1H TOCSY' '2D 1H-1H COSY' '2D 1H-1H NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_4 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'HusA trans-Pro200' _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 25 4 GLY HA2 H 4.092 0.000 2 2 25 4 GLY HA3 H 4.045 0.000 2 3 25 4 GLY CA C 45.610 0.003 1 4 26 5 THR HA H 4.335 0.001 1 5 26 5 THR HB H 4.369 0.000 1 6 26 5 THR HG2 H 1.244 0.000 1 7 26 5 THR CA C 62.103 0.085 1 8 26 5 THR CB C 69.971 0.038 1 9 26 5 THR CG2 C 21.909 0.039 1 10 27 6 ALA H H 8.411 0.000 1 11 27 6 ALA HA H 4.276 0.000 1 12 27 6 ALA HB H 1.493 0.000 1 13 27 6 ALA CA C 53.936 0.003 1 14 27 6 ALA CB C 18.603 0.012 1 15 27 6 ALA N N 126.276 0.000 1 16 28 7 TYR H H 8.348 0.004 1 17 28 7 TYR HA H 3.979 0.003 1 18 28 7 TYR HB2 H 3.051 0.006 2 19 28 7 TYR HB3 H 2.759 0.006 2 20 28 7 TYR HD1 H 6.906 0.006 3 21 28 7 TYR HD2 H 6.906 0.006 3 22 28 7 TYR HE1 H 6.790 0.001 3 23 28 7 TYR HE2 H 6.790 0.001 3 24 28 7 TYR CA C 61.535 0.053 1 25 28 7 TYR CB C 38.524 0.065 1 26 28 7 TYR CD1 C 133.364 0.014 1 27 28 7 TYR CE1 C 119.056 0.045 1 28 28 7 TYR N N 120.741 0.027 1 29 29 8 ALA H H 8.258 0.003 1 30 29 8 ALA HA H 3.562 0.003 1 31 29 8 ALA HB H 1.618 0.003 1 32 29 8 ALA CA C 55.054 0.008 1 33 29 8 ALA CB C 18.767 0.004 1 34 29 8 ALA N N 119.544 0.005 1 35 30 9 GLU H H 7.547 0.002 1 36 30 9 GLU HA H 4.018 0.002 1 37 30 9 GLU HB2 H 2.099 0.005 2 38 30 9 GLU HB3 H 2.041 0.000 2 39 30 9 GLU HG2 H 2.227 0.006 2 40 30 9 GLU HG3 H 2.327 0.000 2 41 30 9 GLU CA C 59.375 0.031 1 42 30 9 GLU CB C 29.582 0.066 1 43 30 9 GLU CG C 36.469 0.053 1 44 30 9 GLU N N 116.708 0.015 1 45 31 10 VAL H H 7.743 0.001 1 46 31 10 VAL HA H 3.607 0.003 1 47 31 10 VAL HB H 1.907 0.002 1 48 31 10 VAL HG1 H 0.779 0.000 2 49 31 10 VAL HG2 H 0.898 0.004 2 50 31 10 VAL CA C 65.834 0.024 1 51 31 10 VAL CB C 31.555 0.051 1 52 31 10 VAL CG1 C 21.129 0.033 1 53 31 10 VAL CG2 C 22.599 0.051 1 54 31 10 VAL N N 119.668 0.005 1 55 32 11 MET H H 8.075 0.003 1 56 32 11 MET HA H 3.960 0.004 1 57 32 11 MET HB2 H 0.505 0.008 2 58 32 11 MET HB3 H 0.765 0.004 2 59 32 11 MET HG2 H 1.319 0.001 2 60 32 11 MET HG3 H 0.989 0.002 2 61 32 11 MET HE H 1.692 0.000 1 62 32 11 MET CA C 56.511 0.033 1 63 32 11 MET CB C 28.861 0.044 1 64 32 11 MET CG C 32.751 0.053 1 65 32 11 MET CE C 16.547 0.010 1 66 32 11 MET N N 119.433 0.016 1 67 33 12 ASN H H 8.051 0.002 1 68 33 12 ASN HA H 4.340 0.003 1 69 33 12 ASN HB2 H 2.919 0.005 2 70 33 12 ASN HB3 H 2.707 0.002 2 71 33 12 ASN HD21 H 7.317 0.008 2 72 33 12 ASN HD22 H 6.815 0.010 2 73 33 12 ASN CA C 56.805 0.015 1 74 33 12 ASN CB C 38.679 0.032 1 75 33 12 ASN N N 116.885 0.015 1 76 33 12 ASN ND2 N 111.953 0.016 1 77 34 13 ARG H H 7.340 0.004 1 78 34 13 ARG HA H 4.052 0.003 1 79 34 13 ARG HB2 H 1.881 0.000 2 80 34 13 ARG HB3 H 1.793 0.005 2 81 34 13 ARG HG2 H 1.731 0.001 2 82 34 13 ARG HG3 H 1.578 0.000 2 83 34 13 ARG HD2 H 3.178 0.000 2 84 34 13 ARG HD3 H 3.127 0.001 2 85 34 13 ARG CA C 59.240 0.034 1 86 34 13 ARG CB C 30.639 0.090 1 87 34 13 ARG CG C 27.720 0.072 1 88 34 13 ARG CD C 43.466 0.056 1 89 34 13 ARG N N 117.849 0.010 1 90 35 14 LYS H H 8.509 0.003 1 91 35 14 LYS HA H 3.914 0.005 1 92 35 14 LYS HB2 H 1.114 0.004 2 93 35 14 LYS HB3 H 1.538 0.004 2 94 35 14 LYS HG2 H 1.132 0.002 2 95 35 14 LYS HG3 H 0.828 0.003 2 96 35 14 LYS HD2 H 1.266 0.000 2 97 35 14 LYS HD3 H 1.046 0.000 2 98 35 14 LYS HE2 H 2.453 0.001 2 99 35 14 LYS HE3 H 2.531 0.000 2 100 35 14 LYS CA C 57.572 0.094 1 101 35 14 LYS CB C 31.941 0.037 1 102 35 14 LYS CG C 24.661 0.054 1 103 35 14 LYS CD C 27.233 0.034 1 104 35 14 LYS CE C 41.987 0.007 1 105 35 14 LYS N N 120.397 0.004 1 106 36 15 VAL H H 8.689 0.003 1 107 36 15 VAL HA H 3.527 0.006 1 108 36 15 VAL HB H 2.075 0.003 1 109 36 15 VAL HG1 H 0.826 0.003 2 110 36 15 VAL HG2 H 0.481 0.002 2 111 36 15 VAL CA C 66.240 0.012 1 112 36 15 VAL CB C 30.789 0.061 1 113 36 15 VAL CG1 C 21.702 0.027 1 114 36 15 VAL CG2 C 24.303 0.037 1 115 36 15 VAL N N 118.401 0.023 1 116 37 16 ALA H H 7.525 0.002 1 117 37 16 ALA HA H 4.239 0.001 1 118 37 16 ALA HB H 1.492 0.000 1 119 37 16 ALA CA C 55.187 0.040 1 120 37 16 ALA CB C 17.770 0.008 1 121 37 16 ALA N N 122.803 0.014 1 122 38 17 ALA H H 7.376 0.002 1 123 38 17 ALA HA H 4.197 0.000 1 124 38 17 ALA HB H 1.507 0.005 1 125 38 17 ALA CA C 54.355 0.015 1 126 38 17 ALA CB C 17.880 0.041 1 127 38 17 ALA N N 120.323 0.011 1 128 39 18 LEU H H 7.643 0.002 1 129 39 18 LEU HA H 3.923 0.002 1 130 39 18 LEU HB2 H 1.854 0.002 2 131 39 18 LEU HB3 H 1.799 0.000 2 132 39 18 LEU HG H 1.840 0.000 1 133 39 18 LEU HD1 H 0.671 0.002 2 134 39 18 LEU HD2 H 0.744 0.000 2 135 39 18 LEU CA C 57.676 0.028 1 136 39 18 LEU CB C 42.075 0.037 1 137 39 18 LEU CG C 26.468 0.187 1 138 39 18 LEU CD1 C 25.183 0.048 1 139 39 18 LEU CD2 C 26.282 0.018 1 140 39 18 LEU N N 118.437 0.003 1 141 40 19 ASP H H 7.686 0.003 1 142 40 19 ASP HA H 4.741 0.004 1 143 40 19 ASP HB2 H 2.771 0.000 2 144 40 19 ASP HB3 H 2.883 0.003 2 145 40 19 ASP CA C 56.002 0.003 1 146 40 19 ASP CB C 41.379 0.020 1 147 40 19 ASP N N 115.936 0.011 1 148 41 20 SER H H 7.867 0.004 1 149 41 20 SER HA H 4.681 0.000 1 150 41 20 SER HB2 H 3.849 0.004 2 151 41 20 SER HB3 H 3.936 0.001 2 152 41 20 SER CA C 58.719 0.003 1 153 41 20 SER CB C 65.028 0.007 1 154 41 20 SER N N 113.210 0.007 1 155 42 21 VAL H H 7.729 0.004 1 156 42 21 VAL HA H 4.586 0.000 1 157 42 21 VAL HB H 2.190 0.002 1 158 42 21 VAL HG1 H 0.987 0.000 2 159 42 21 VAL HG2 H 0.991 0.002 2 160 42 21 VAL CA C 59.500 0.010 1 161 42 21 VAL CB C 32.782 0.007 1 162 42 21 VAL CG1 C 21.277 0.016 1 163 42 21 VAL CG2 C 20.032 0.019 1 164 42 21 VAL N N 121.048 0.005 1 165 43 22 PRO HA H 4.793 0.001 1 166 43 22 PRO HB2 H 1.911 0.002 2 167 43 22 PRO HB3 H 2.398 0.001 2 168 43 22 PRO HG2 H 2.031 0.001 2 169 43 22 PRO HG3 H 2.003 0.000 2 170 43 22 PRO HD2 H 3.640 0.000 2 171 43 22 PRO HD3 H 3.857 0.000 2 172 43 22 PRO CA C 61.307 0.008 1 173 43 22 PRO CB C 31.482 0.030 1 174 43 22 PRO CG C 27.569 0.072 1 175 43 22 PRO CD C 50.680 0.031 1 176 44 23 PRO HA H 3.176 0.014 1 177 44 23 PRO HB2 H 1.755 0.004 2 178 44 23 PRO HB3 H 1.755 0.004 2 179 44 23 PRO HG2 H 1.957 0.000 2 180 44 23 PRO HG3 H 1.784 0.003 2 181 44 23 PRO HD2 H 3.780 0.002 2 182 44 23 PRO HD3 H 3.698 0.000 2 183 44 23 PRO CA C 64.567 0.017 1 184 44 23 PRO CB C 31.883 0.044 1 185 44 23 PRO CG C 27.646 0.029 1 186 44 23 PRO CD C 50.460 0.029 1 187 45 24 THR H H 6.954 0.003 1 188 45 24 THR HA H 4.075 0.003 1 189 45 24 THR HB H 4.359 0.002 1 190 45 24 THR HG2 H 1.255 0.002 1 191 45 24 THR CA C 63.480 0.024 1 192 45 24 THR CB C 68.362 0.022 1 193 45 24 THR CG2 C 22.736 0.015 1 194 45 24 THR N N 105.937 0.019 1 195 46 25 GLU H H 8.226 0.003 1 196 46 25 GLU HA H 4.687 0.002 1 197 46 25 GLU HB2 H 1.849 0.000 2 198 46 25 GLU HB3 H 2.447 0.001 2 199 46 25 GLU HG2 H 2.179 0.002 2 200 46 25 GLU HG3 H 2.305 0.000 2 201 46 25 GLU CA C 55.822 0.019 1 202 46 25 GLU CB C 30.026 0.070 1 203 46 25 GLU CG C 36.320 0.066 1 204 46 25 GLU N N 120.341 0.005 1 205 47 26 TYR H H 7.670 0.003 1 206 47 26 TYR HA H 4.367 0.005 1 207 47 26 TYR HB2 H 3.247 0.000 2 208 47 26 TYR HB3 H 3.521 0.007 2 209 47 26 TYR HD1 H 6.973 0.001 3 210 47 26 TYR HD2 H 6.973 0.001 3 211 47 26 TYR HE1 H 6.837 0.000 3 212 47 26 TYR HE2 H 6.837 0.000 3 213 47 26 TYR CA C 60.396 0.019 1 214 47 26 TYR CB C 36.683 0.008 1 215 47 26 TYR CD1 C 130.855 0.016 1 216 47 26 TYR CE1 C 118.761 0.000 1 217 47 26 TYR N N 120.642 0.012 1 218 48 27 ALA H H 8.545 0.001 1 219 48 27 ALA HA H 4.230 0.001 1 220 48 27 ALA HB H 1.474 0.001 1 221 48 27 ALA CA C 55.786 0.032 1 222 48 27 ALA CB C 17.854 0.011 1 223 48 27 ALA N N 122.305 0.020 1 224 49 28 THR H H 7.659 0.002 1 225 49 28 THR HA H 4.023 0.002 1 226 49 28 THR HB H 4.293 0.001 1 227 49 28 THR HG2 H 1.260 0.000 1 228 49 28 THR CA C 65.448 0.013 1 229 49 28 THR CB C 68.635 0.006 1 230 49 28 THR CG2 C 22.068 0.116 1 231 49 28 THR N N 114.552 0.017 1 232 50 29 LEU H H 7.202 0.002 1 233 50 29 LEU HA H 4.127 0.003 1 234 50 29 LEU HB2 H 1.940 0.010 2 235 50 29 LEU HB3 H 1.596 0.010 2 236 50 29 LEU HG H 1.694 0.004 1 237 50 29 LEU HD1 H 0.772 0.005 2 238 50 29 LEU HD2 H 0.737 0.000 2 239 50 29 LEU CA C 57.383 0.053 1 240 50 29 LEU CB C 42.336 0.031 1 241 50 29 LEU CG C 27.718 0.063 1 242 50 29 LEU CD1 C 26.115 0.088 1 243 50 29 LEU CD2 C 23.607 0.011 1 244 50 29 LEU N N 122.661 0.023 1 245 51 30 ALA H H 8.771 0.001 1 246 51 30 ALA HA H 4.165 0.000 1 247 51 30 ALA HB H 1.501 0.004 1 248 51 30 ALA CA C 56.048 0.009 1 249 51 30 ALA CB C 18.085 0.023 1 250 51 30 ALA N N 121.469 0.008 1 251 52 31 ALA H H 7.410 0.004 1 252 52 31 ALA HA H 4.112 0.002 1 253 52 31 ALA HB H 1.516 0.004 1 254 52 31 ALA CA C 54.729 0.000 1 255 52 31 ALA CB C 17.883 0.000 1 256 52 31 ALA N N 119.113 0.012 1 257 53 32 ASP H H 7.718 0.003 1 258 53 32 ASP HA H 4.338 0.002 1 259 53 32 ASP HB2 H 2.077 0.004 2 260 53 32 ASP HB3 H 2.678 0.000 2 261 53 32 ASP CA C 57.523 0.030 1 262 53 32 ASP CB C 40.412 0.021 1 263 53 32 ASP N N 120.549 0.027 1 264 54 33 PHE H H 8.703 0.007 1 265 54 33 PHE HA H 4.257 0.002 1 266 54 33 PHE HB2 H 2.846 0.007 2 267 54 33 PHE HB3 H 3.505 0.005 2 268 54 33 PHE HD1 H 7.120 0.007 3 269 54 33 PHE HD2 H 7.120 0.007 3 270 54 33 PHE HE1 H 6.946 0.004 3 271 54 33 PHE HE2 H 6.946 0.004 3 272 54 33 PHE HZ H 6.399 0.002 1 273 54 33 PHE CA C 62.817 0.026 1 274 54 33 PHE CB C 39.258 0.049 1 275 54 33 PHE CD1 C 132.141 0.074 1 276 54 33 PHE CE1 C 131.034 0.091 1 277 54 33 PHE CZ C 129.569 0.000 1 278 54 33 PHE N N 119.214 0.019 1 279 55 34 SER H H 8.316 0.004 1 280 55 34 SER HA H 4.118 0.002 1 281 55 34 SER HB2 H 4.029 0.003 2 282 55 34 SER HB3 H 4.029 0.003 2 283 55 34 SER CA C 61.642 0.098 1 284 55 34 SER CB C 62.812 0.091 1 285 55 34 SER N N 115.300 0.007 1 286 56 35 ARG H H 7.645 0.002 1 287 56 35 ARG HA H 4.134 0.004 1 288 56 35 ARG HB2 H 2.003 0.004 2 289 56 35 ARG HB3 H 1.938 0.006 2 290 56 35 ARG HG2 H 1.813 0.002 2 291 56 35 ARG HG3 H 1.611 0.011 2 292 56 35 ARG HD2 H 3.208 0.002 2 293 56 35 ARG HD3 H 3.208 0.002 2 294 56 35 ARG CA C 59.165 0.017 1 295 56 35 ARG CB C 30.349 0.046 1 296 56 35 ARG CG C 28.031 0.084 1 297 56 35 ARG CD C 43.309 0.017 1 298 56 35 ARG N N 121.500 0.009 1 299 57 36 ILE H H 7.910 0.003 1 300 57 36 ILE HA H 3.951 0.001 1 301 57 36 ILE HB H 2.031 0.001 1 302 57 36 ILE HG12 H 1.750 0.002 2 303 57 36 ILE HG13 H 1.061 0.005 2 304 57 36 ILE HG2 H 1.093 0.002 1 305 57 36 ILE HD1 H 0.581 0.000 1 306 57 36 ILE CA C 63.980 0.042 1 307 57 36 ILE CB C 38.511 0.021 1 308 57 36 ILE CG1 C 29.180 0.019 1 309 57 36 ILE CG2 C 19.187 0.040 1 310 57 36 ILE CD1 C 14.510 0.034 1 311 57 36 ILE N N 120.697 0.020 1 312 58 37 ALA H H 8.120 0.003 1 313 58 37 ALA HA H 4.138 0.000 1 314 58 37 ALA HB H 1.420 0.004 1 315 58 37 ALA CA C 54.079 0.036 1 316 58 37 ALA CB C 17.901 0.004 1 317 58 37 ALA N N 120.748 0.012 1 318 59 38 ALA H H 7.396 0.003 1 319 59 38 ALA HA H 4.391 0.000 1 320 59 38 ALA HB H 1.471 0.001 1 321 59 38 ALA CA C 52.088 0.005 1 322 59 38 ALA CB C 19.456 0.008 1 323 59 38 ALA N N 117.880 0.005 1 324 60 39 VAL H H 7.425 0.003 1 325 60 39 VAL HA H 4.151 0.004 1 326 60 39 VAL HB H 2.343 0.001 1 327 60 39 VAL HG1 H 1.090 0.000 2 328 60 39 VAL HG2 H 1.124 0.000 2 329 60 39 VAL CA C 61.892 0.009 1 330 60 39 VAL CB C 33.182 0.052 1 331 60 39 VAL CG1 C 21.495 0.018 1 332 60 39 VAL CG2 C 20.944 0.019 1 333 60 39 VAL N N 118.031 0.007 1 334 61 40 GLU H H 8.510 0.002 1 335 61 40 GLU HA H 4.084 0.000 1 336 61 40 GLU HB2 H 2.015 0.000 2 337 61 40 GLU HB3 H 1.984 0.000 2 338 61 40 GLU HG2 H 2.295 0.000 2 339 61 40 GLU HG3 H 2.295 0.000 2 340 61 40 GLU CA C 58.135 0.042 1 341 61 40 GLU CB C 29.625 0.066 1 342 61 40 GLU CG C 36.237 0.021 1 343 61 40 GLU N N 125.933 0.012 1 344 62 41 GLY H H 8.709 0.006 1 345 62 41 GLY HA2 H 3.673 0.002 2 346 62 41 GLY HA3 H 4.163 0.001 2 347 62 41 GLY CA C 44.951 0.032 1 348 62 41 GLY N N 113.013 0.017 1 349 63 42 SER H H 7.464 0.002 1 350 63 42 SER HA H 2.532 0.014 1 351 63 42 SER HB2 H 3.763 0.003 2 352 63 42 SER HB3 H 3.894 0.005 2 353 63 42 SER CA C 57.205 0.017 1 354 63 42 SER CB C 64.707 0.014 1 355 63 42 SER N N 114.478 0.017 1 356 64 43 ASP H H 6.880 0.001 1 357 64 43 ASP HA H 4.959 0.002 1 358 64 43 ASP HB2 H 3.312 0.000 2 359 64 43 ASP HB3 H 2.829 0.000 2 360 64 43 ASP CA C 52.460 0.017 1 361 64 43 ASP CB C 43.713 0.006 1 362 64 43 ASP N N 117.079 0.005 1 363 65 44 TRP H H 8.407 0.004 1 364 65 44 TRP HA H 4.358 0.000 1 365 65 44 TRP HB2 H 3.535 0.000 2 366 65 44 TRP HB3 H 3.100 0.004 2 367 65 44 TRP HD1 H 7.667 0.002 1 368 65 44 TRP HE1 H 10.922 0.008 1 369 65 44 TRP HE3 H 7.348 0.003 1 370 65 44 TRP HZ2 H 7.768 0.007 1 371 65 44 TRP HZ3 H 6.565 0.004 1 372 65 44 TRP HH2 H 6.705 0.002 1 373 65 44 TRP CA C 58.322 0.018 1 374 65 44 TRP CB C 29.559 0.016 1 375 65 44 TRP CD1 C 129.052 0.058 1 376 65 44 TRP CE3 C 120.222 0.069 1 377 65 44 TRP CZ2 C 116.362 0.000 1 378 65 44 TRP CZ3 C 121.107 0.008 1 379 65 44 TRP CH2 C 123.935 0.073 1 380 65 44 TRP N N 115.907 0.014 1 381 65 44 TRP NE1 N 134.023 0.023 1 382 66 45 MET H H 7.878 0.004 1 383 66 45 MET HA H 3.368 0.007 1 384 66 45 MET HB2 H 0.691 0.006 2 385 66 45 MET HB3 H 0.520 0.004 2 386 66 45 MET HG2 H 1.483 0.000 2 387 66 45 MET HG3 H 1.483 0.000 2 388 66 45 MET HE H 1.906 0.002 1 389 66 45 MET CA C 59.713 0.034 1 390 66 45 MET CB C 32.853 0.037 1 391 66 45 MET CG C 32.257 0.052 1 392 66 45 MET CE C 18.969 0.035 1 393 66 45 MET N N 120.048 0.008 1 394 67 46 ALA H H 7.524 0.002 1 395 67 46 ALA HA H 4.193 0.000 1 396 67 46 ALA HB H 1.961 0.004 1 397 67 46 ALA CA C 57.147 0.013 1 398 67 46 ALA CB C 17.173 0.016 1 399 67 46 ALA N N 123.233 0.018 1 400 68 47 ALA H H 8.015 0.003 1 401 68 47 ALA HA H 4.153 0.000 1 402 68 47 ALA HB H 1.684 0.006 1 403 68 47 ALA CA C 55.575 0.020 1 404 68 47 ALA CB C 17.799 0.050 1 405 68 47 ALA N N 123.311 0.003 1 406 69 48 TYR H H 7.942 0.004 1 407 69 48 TYR HA H 3.733 0.004 1 408 69 48 TYR HB2 H 3.205 0.006 2 409 69 48 TYR HB3 H 2.925 0.000 2 410 69 48 TYR HD1 H 5.399 0.011 3 411 69 48 TYR HD2 H 5.399 0.011 3 412 69 48 TYR HE1 H 5.916 0.008 3 413 69 48 TYR HE2 H 5.916 0.008 3 414 69 48 TYR HH H 11.753 0.000 1 415 69 48 TYR CA C 62.660 0.017 1 416 69 48 TYR CB C 39.142 0.051 1 417 69 48 TYR CD1 C 133.771 0.000 1 418 69 48 TYR CE1 C 118.944 0.006 1 419 69 48 TYR N N 117.954 0.013 1 420 70 49 TYR H H 8.536 0.004 1 421 70 49 TYR HA H 3.913 0.005 1 422 70 49 TYR HB2 H 1.577 0.001 2 423 70 49 TYR HB3 H 1.344 0.000 2 424 70 49 TYR HD1 H 6.808 0.000 3 425 70 49 TYR HD2 H 6.808 0.000 3 426 70 49 TYR HE1 H 6.816 0.006 3 427 70 49 TYR HE2 H 6.816 0.006 3 428 70 49 TYR CA C 63.369 0.067 1 429 70 49 TYR CB C 34.987 0.016 1 430 70 49 TYR CE1 C 117.143 0.000 1 431 70 49 TYR N N 117.571 0.010 1 432 71 50 THR H H 7.895 0.005 1 433 71 50 THR HA H 3.779 0.005 1 434 71 50 THR HB H 4.317 0.002 1 435 71 50 THR HG2 H 1.265 0.000 1 436 71 50 THR CA C 69.184 0.034 1 437 71 50 THR CB C 67.968 0.053 1 438 71 50 THR CG2 C 21.996 0.130 1 439 71 50 THR N N 118.644 0.018 1 440 72 51 ALA H H 7.404 0.004 1 441 72 51 ALA HA H 3.769 0.005 1 442 72 51 ALA HB H 1.431 0.003 1 443 72 51 ALA CA C 55.587 0.010 1 444 72 51 ALA CB C 18.724 0.118 1 445 72 51 ALA N N 120.322 0.014 1 446 73 52 TYR H H 8.449 0.003 1 447 73 52 TYR HA H 3.544 0.006 1 448 73 52 TYR HB2 H 2.502 0.007 2 449 73 52 TYR HB3 H 3.143 0.000 2 450 73 52 TYR HD1 H 6.726 0.000 3 451 73 52 TYR HD2 H 6.726 0.000 3 452 73 52 TYR HE1 H 5.627 0.000 3 453 73 52 TYR HE2 H 5.627 0.000 3 454 73 52 TYR CA C 63.222 0.007 1 455 73 52 TYR CB C 39.518 0.031 1 456 73 52 TYR CD1 C 131.803 0.000 1 457 73 52 TYR CE1 C 117.791 0.000 1 458 73 52 TYR N N 120.414 0.021 1 459 74 53 CYS H H 7.884 0.002 1 460 74 53 CYS HA H 4.052 0.004 1 461 74 53 CYS HB2 H 3.006 0.006 2 462 74 53 CYS HB3 H 3.237 0.004 2 463 74 53 CYS CA C 63.337 0.033 1 464 74 53 CYS CB C 28.365 0.046 1 465 74 53 CYS N N 111.892 0.013 1 466 75 54 ARG H H 7.340 0.002 1 467 75 54 ARG HA H 4.345 0.006 1 468 75 54 ARG HB2 H 1.948 0.001 2 469 75 54 ARG HB3 H 1.868 0.005 2 470 75 54 ARG HG2 H 1.558 0.000 2 471 75 54 ARG HG3 H 1.802 0.000 2 472 75 54 ARG HD2 H 3.181 0.000 2 473 75 54 ARG HD3 H 2.888 0.001 2 474 75 54 ARG CA C 56.665 0.039 1 475 75 54 ARG CB C 31.729 0.110 1 476 75 54 ARG CG C 27.842 0.056 1 477 75 54 ARG CD C 43.142 0.060 1 478 75 54 ARG N N 117.391 0.022 1 479 76 55 ILE H H 7.778 0.003 1 480 76 55 ILE HA H 3.365 0.002 1 481 76 55 ILE HB H 1.343 0.003 1 482 76 55 ILE HG12 H 1.683 0.000 2 483 76 55 ILE HG13 H 0.605 0.000 2 484 76 55 ILE HG2 H 0.701 0.004 1 485 76 55 ILE HD1 H 0.771 0.000 1 486 76 55 ILE CA C 64.734 0.009 1 487 76 55 ILE CB C 39.429 0.034 1 488 76 55 ILE CG1 C 29.951 0.042 1 489 76 55 ILE CG2 C 18.304 0.028 1 490 76 55 ILE CD1 C 16.212 0.019 1 491 76 55 ILE N N 117.634 0.010 1 492 77 56 ILE H H 7.405 0.003 1 493 77 56 ILE HA H 3.884 0.008 1 494 77 56 ILE HB H 1.695 0.012 1 495 77 56 ILE HG12 H 0.571 0.001 2 496 77 56 ILE HG13 H 0.886 0.012 2 497 77 56 ILE HG2 H 0.585 0.002 1 498 77 56 ILE HD1 H 0.146 0.003 1 499 77 56 ILE CA C 64.711 0.035 1 500 77 56 ILE CB C 33.340 0.062 1 501 77 56 ILE CG1 C 27.520 0.019 1 502 77 56 ILE CG2 C 18.049 0.013 1 503 77 56 ILE CD1 C 9.065 0.018 1 504 77 56 ILE N N 116.846 0.002 1 505 78 57 PRO HA H 4.301 0.001 1 506 78 57 PRO HB2 H 1.719 0.002 2 507 78 57 PRO HB3 H 2.238 0.003 2 508 78 57 PRO HG2 H 2.114 0.000 2 509 78 57 PRO HG3 H 1.898 0.001 2 510 78 57 PRO HD2 H 3.107 0.001 2 511 78 57 PRO HD3 H 3.350 0.001 2 512 78 57 PRO CA C 64.773 0.016 1 513 78 57 PRO CB C 30.800 0.031 1 514 78 57 PRO CG C 28.680 0.046 1 515 78 57 PRO CD C 50.682 0.031 1 516 79 58 ALA H H 7.345 0.004 1 517 79 58 ALA HA H 3.703 0.000 1 518 79 58 ALA HB H 1.245 0.004 1 519 79 58 ALA CA C 54.564 0.010 1 520 79 58 ALA CB C 18.304 0.019 1 521 79 58 ALA N N 121.184 0.011 1 522 80 59 PHE H H 7.242 0.005 1 523 80 59 PHE HA H 3.974 0.003 1 524 80 59 PHE HB2 H 2.934 0.012 2 525 80 59 PHE HB3 H 2.979 0.000 2 526 80 59 PHE HD1 H 7.359 0.002 3 527 80 59 PHE HD2 H 7.359 0.002 3 528 80 59 PHE HE1 H 6.981 0.002 3 529 80 59 PHE HE2 H 6.981 0.002 3 530 80 59 PHE HZ H 7.287 0.012 1 531 80 59 PHE CA C 61.357 0.064 1 532 80 59 PHE CB C 38.667 0.012 1 533 80 59 PHE CD1 C 132.156 0.001 1 534 80 59 PHE CE1 C 130.745 0.049 1 535 80 59 PHE CZ C 130.637 0.000 1 536 80 59 PHE N N 115.346 0.004 1 537 81 60 GLY H H 7.762 0.004 1 538 81 60 GLY HA2 H 3.819 0.003 2 539 81 60 GLY HA3 H 4.142 0.000 2 540 81 60 GLY CA C 44.949 0.045 1 541 81 60 GLY N N 106.739 0.020 1 542 82 61 ASN H H 6.974 0.003 1 543 82 61 ASN HA H 5.152 0.003 1 544 82 61 ASN HB2 H 2.472 0.005 2 545 82 61 ASN HB3 H 2.798 0.002 2 546 82 61 ASN HD21 H 7.387 0.004 2 547 82 61 ASN HD22 H 6.907 0.005 2 548 82 61 ASN CA C 50.130 0.005 1 549 82 61 ASN CB C 38.599 0.025 1 550 82 61 ASN N N 115.958 0.008 1 551 82 61 ASN ND2 N 111.359 0.019 1 552 83 62 PRO HA H 4.349 0.001 1 553 83 62 PRO HB2 H 2.072 0.000 2 554 83 62 PRO HB3 H 2.244 0.010 2 555 83 62 PRO HG2 H 2.069 0.002 2 556 83 62 PRO HG3 H 2.069 0.002 2 557 83 62 PRO HD2 H 3.832 0.003 2 558 83 62 PRO HD3 H 3.409 0.001 2 559 83 62 PRO CA C 64.853 0.031 1 560 83 62 PRO CB C 31.986 0.046 1 561 83 62 PRO CG C 27.355 0.018 1 562 83 62 PRO CD C 50.431 0.036 1 563 84 63 SER H H 8.229 0.004 1 564 84 63 SER HA H 4.277 0.003 1 565 84 63 SER HB2 H 3.958 0.000 2 566 84 63 SER HB3 H 3.958 0.000 2 567 84 63 SER CA C 61.485 0.000 1 568 84 63 SER CB C 62.794 0.000 1 569 84 63 SER N N 112.893 0.013 1 570 85 64 GLU H H 7.225 0.002 1 571 85 64 GLU HA H 4.679 0.006 1 572 85 64 GLU HB2 H 2.275 0.002 2 573 85 64 GLU HB3 H 1.569 0.003 2 574 85 64 GLU HG2 H 2.223 0.000 2 575 85 64 GLU HG3 H 2.072 0.000 2 576 85 64 GLU CA C 55.266 0.034 1 577 85 64 GLU CB C 31.493 0.026 1 578 85 64 GLU CG C 36.545 0.012 1 579 85 64 GLU N N 117.589 0.023 1 580 86 65 ALA H H 7.457 0.002 1 581 86 65 ALA HA H 3.727 0.006 1 582 86 65 ALA HB H 1.197 0.000 1 583 86 65 ALA CA C 56.475 0.008 1 584 86 65 ALA CB C 19.055 0.021 1 585 86 65 ALA N N 122.001 0.025 1 586 87 66 ASP H H 8.798 0.004 1 587 87 66 ASP HA H 4.116 0.001 1 588 87 66 ASP HB2 H 2.517 0.000 2 589 87 66 ASP HB3 H 2.517 0.000 2 590 87 66 ASP CA C 58.867 0.014 1 591 87 66 ASP CB C 39.646 0.008 1 592 87 66 ASP N N 116.748 0.014 1 593 88 67 ARG H H 7.802 0.004 1 594 88 67 ARG HA H 4.023 0.002 1 595 88 67 ARG HB2 H 1.835 0.003 2 596 88 67 ARG HB3 H 1.835 0.003 2 597 88 67 ARG HG2 H 1.671 0.000 2 598 88 67 ARG HG3 H 1.574 0.000 2 599 88 67 ARG HD2 H 3.232 0.004 2 600 88 67 ARG HD3 H 3.166 0.000 2 601 88 67 ARG CA C 59.332 0.045 1 602 88 67 ARG CB C 29.928 0.049 1 603 88 67 ARG CG C 27.231 0.055 1 604 88 67 ARG CD C 43.262 0.013 1 605 88 67 ARG N N 120.714 0.008 1 606 89 68 LEU H H 8.309 0.004 1 607 89 68 LEU HA H 3.915 0.001 1 608 89 68 LEU HB2 H 1.742 0.004 2 609 89 68 LEU HB3 H 1.669 0.000 2 610 89 68 LEU HG H 1.738 0.003 1 611 89 68 LEU HD1 H 0.905 0.000 2 612 89 68 LEU HD2 H 0.706 0.002 2 613 89 68 LEU CA C 58.184 0.016 1 614 89 68 LEU CB C 41.868 0.024 1 615 89 68 LEU CG C 27.384 0.006 1 616 89 68 LEU CD1 C 22.524 0.038 2 617 89 68 LEU CD2 C 24.954 0.052 2 618 89 68 LEU N N 120.871 0.008 1 619 90 69 CYS H H 8.572 0.002 1 620 90 69 CYS HA H 3.920 0.001 1 621 90 69 CYS HB2 H 2.613 0.001 2 622 90 69 CYS HB3 H 2.773 0.009 2 623 90 69 CYS CA C 64.435 0.022 1 624 90 69 CYS CB C 27.029 0.041 1 625 90 69 CYS N N 115.322 0.016 1 626 91 70 GLU H H 8.295 0.004 1 627 91 70 GLU HA H 3.904 0.002 1 628 91 70 GLU HB2 H 2.215 0.000 2 629 91 70 GLU HB3 H 2.053 0.002 2 630 91 70 GLU HG2 H 2.310 0.000 2 631 91 70 GLU HG3 H 2.215 0.000 2 632 91 70 GLU CA C 60.132 0.015 1 633 91 70 GLU CB C 29.350 0.102 1 634 91 70 GLU CG C 36.265 0.032 1 635 91 70 GLU N N 123.663 0.020 1 636 92 71 GLU H H 7.434 0.000 1 637 92 71 GLU HA H 4.102 0.001 1 638 92 71 GLU HB2 H 2.152 0.002 2 639 92 71 GLU HB3 H 1.961 0.000 2 640 92 71 GLU HG2 H 2.426 0.001 2 641 92 71 GLU HG3 H 2.092 0.001 2 642 92 71 GLU CA C 59.172 0.026 1 643 92 71 GLU CB C 29.546 0.041 1 644 92 71 GLU CG C 36.577 0.023 1 645 92 71 GLU N N 119.366 0.000 1 646 93 72 ALA H H 8.236 0.003 1 647 93 72 ALA HA H 3.769 0.000 1 648 93 72 ALA HB H 1.507 0.006 1 649 93 72 ALA CA C 55.545 0.004 1 650 93 72 ALA CB C 19.466 0.007 1 651 93 72 ALA N N 121.417 0.007 1 652 94 73 GLU H H 8.774 0.004 1 653 94 73 GLU HA H 3.902 0.000 1 654 94 73 GLU HB2 H 2.005 0.000 2 655 94 73 GLU HB3 H 2.215 0.000 2 656 94 73 GLU HG3 H 2.285 0.000 2 657 94 73 GLU CA C 59.725 0.025 1 658 94 73 GLU CB C 28.736 0.023 1 659 94 73 GLU CG C 36.557 0.000 1 660 94 73 GLU N N 118.400 0.011 1 661 95 74 SER H H 7.683 0.002 1 662 95 74 SER HA H 4.338 0.001 1 663 95 74 SER HB2 H 4.044 0.000 2 664 95 74 SER HB3 H 4.044 0.000 2 665 95 74 SER CA C 61.798 0.000 1 666 95 74 SER CB C 62.571 0.000 1 667 95 74 SER N N 115.973 0.017 1 668 96 75 MET H H 7.668 0.003 1 669 96 75 MET HA H 4.580 0.006 1 670 96 75 MET HB2 H 2.300 0.005 2 671 96 75 MET HB3 H 2.223 0.006 2 672 96 75 MET HG2 H 2.713 0.000 2 673 96 75 MET HG3 H 2.636 0.000 2 674 96 75 MET HE H 2.126 0.000 1 675 96 75 MET CA C 56.567 0.119 1 676 96 75 MET CB C 31.436 0.104 1 677 96 75 MET CG C 32.877 0.132 1 678 96 75 MET CE C 17.174 0.009 1 679 96 75 MET N N 121.073 0.039 1 680 97 76 LEU H H 8.662 0.002 1 681 97 76 LEU HA H 4.083 0.000 1 682 97 76 LEU HB2 H 2.021 0.008 2 683 97 76 LEU HB3 H 1.315 0.003 2 684 97 76 LEU HG H 1.770 0.000 1 685 97 76 LEU HD1 H 0.755 0.001 2 686 97 76 LEU HD2 H 0.922 0.001 2 687 97 76 LEU CA C 57.973 0.014 1 688 97 76 LEU CB C 40.456 0.078 1 689 97 76 LEU CG C 26.908 0.049 1 690 97 76 LEU CD1 C 25.431 0.041 1 691 97 76 LEU CD2 C 23.336 0.024 1 692 97 76 LEU N N 122.692 0.013 1 693 98 77 SER H H 8.143 0.003 1 694 98 77 SER HA H 4.184 0.008 1 695 98 77 SER HB2 H 3.984 0.000 2 696 98 77 SER HB3 H 4.036 0.000 2 697 98 77 SER CA C 62.188 0.027 1 698 98 77 SER CB C 62.253 0.003 1 699 98 77 SER N N 116.197 0.010 1 700 99 78 LYS H H 7.656 0.002 1 701 99 78 LYS HA H 4.166 0.001 1 702 99 78 LYS HB2 H 2.108 0.002 2 703 99 78 LYS HB3 H 2.048 0.001 2 704 99 78 LYS HG2 H 1.541 0.005 2 705 99 78 LYS HG3 H 1.434 0.000 2 706 99 78 LYS HD2 H 1.738 0.000 2 707 99 78 LYS HD3 H 1.738 0.000 2 708 99 78 LYS HE2 H 2.976 0.004 2 709 99 78 LYS HE3 H 2.976 0.004 2 710 99 78 LYS CA C 59.341 0.026 1 711 99 78 LYS CB C 31.537 0.051 1 712 99 78 LYS CG C 24.962 0.068 1 713 99 78 LYS CD C 29.019 0.052 1 714 99 78 LYS CE C 41.898 0.020 1 715 99 78 LYS N N 124.047 0.009 1 716 100 79 ALA H H 8.677 0.002 1 717 100 79 ALA HA H 4.189 0.002 1 718 100 79 ALA HB H 1.842 0.006 1 719 100 79 ALA CA C 55.626 0.000 1 720 100 79 ALA CB C 18.123 0.044 1 721 100 79 ALA N N 121.356 0.019 1 722 101 80 GLU H H 8.450 0.002 1 723 101 80 GLU HA H 3.564 0.001 1 724 101 80 GLU HB2 H 2.266 0.000 2 725 101 80 GLU HB3 H 2.085 0.000 2 726 101 80 GLU HG2 H 2.163 0.000 2 727 101 80 GLU HG3 H 2.163 0.000 2 728 101 80 GLU CA C 60.008 0.007 1 729 101 80 GLU CB C 30.068 0.060 1 730 101 80 GLU CG C 36.317 0.033 1 731 101 80 GLU N N 119.609 0.013 1 732 102 81 SER H H 8.288 0.004 1 733 102 81 SER HA H 4.349 0.001 1 734 102 81 SER HB2 H 4.072 0.004 2 735 102 81 SER HB3 H 4.072 0.004 2 736 102 81 SER CA C 61.632 0.087 1 737 102 81 SER CB C 63.034 0.009 1 738 102 81 SER N N 118.606 0.011 1 739 103 82 LEU H H 7.572 0.002 1 740 103 82 LEU HA H 4.536 0.001 1 741 103 82 LEU HB2 H 1.831 0.000 2 742 103 82 LEU HB3 H 1.927 0.002 2 743 103 82 LEU HG H 1.844 0.000 1 744 103 82 LEU HD1 H 0.855 0.000 2 745 103 82 LEU HD2 H 0.910 0.000 2 746 103 82 LEU CA C 54.604 0.012 1 747 103 82 LEU CB C 42.811 0.019 1 748 103 82 LEU CG C 26.509 0.042 1 749 103 82 LEU CD1 C 26.485 0.008 1 750 103 82 LEU CD2 C 22.367 0.025 1 751 103 82 LEU N N 121.317 0.017 1 752 104 83 GLY H H 7.868 0.003 1 753 104 83 GLY HA2 H 4.083 0.000 2 754 104 83 GLY HA3 H 3.793 0.004 2 755 104 83 GLY CA C 45.915 0.061 1 756 104 83 GLY N N 108.229 0.006 1 757 105 84 GLY H H 7.725 0.003 1 758 105 84 GLY HA2 H 1.370 0.000 2 759 105 84 GLY HA3 H 2.092 0.003 2 760 105 84 GLY CA C 44.044 0.011 1 761 105 84 GLY N N 105.314 0.015 1 762 106 85 ASP H H 3.325 0.004 1 763 106 85 ASP HA H 4.048 0.000 1 764 106 85 ASP HB2 H 2.345 0.000 2 765 106 85 ASP HB3 H 2.261 0.000 2 766 106 85 ASP CA C 54.356 0.029 1 767 106 85 ASP CB C 43.050 0.016 1 768 106 85 ASP N N 116.189 0.012 1 769 107 86 LEU H H 8.637 0.001 1 770 107 86 LEU HA H 3.795 0.002 1 771 107 86 LEU HB2 H 1.465 0.001 2 772 107 86 LEU HB3 H 1.606 0.000 2 773 107 86 LEU HG H 1.516 0.004 1 774 107 86 LEU HD1 H 0.865 0.000 2 775 107 86 LEU HD2 H 0.821 0.001 2 776 107 86 LEU CA C 57.970 0.036 1 777 107 86 LEU CB C 41.712 0.040 1 778 107 86 LEU CG C 27.089 0.047 1 779 107 86 LEU CD1 C 23.332 0.033 1 780 107 86 LEU CD2 C 24.256 0.112 1 781 107 86 LEU N N 130.234 0.012 1 782 108 87 SER H H 8.369 0.004 1 783 108 87 SER HA H 4.041 0.000 1 784 108 87 SER HB2 H 4.328 0.000 2 785 108 87 SER HB3 H 3.975 0.000 2 786 108 87 SER HG H 5.794 0.001 1 787 108 87 SER CA C 62.281 0.042 1 788 108 87 SER CB C 63.842 0.050 1 789 108 87 SER N N 112.565 0.002 1 790 109 88 GLU H H 8.296 0.003 1 791 109 88 GLU HA H 4.629 0.000 1 792 109 88 GLU HB2 H 2.340 0.001 2 793 109 88 GLU HB3 H 1.861 0.000 2 794 109 88 GLU HG2 H 2.671 0.001 2 795 109 88 GLU HG3 H 2.671 0.001 2 796 109 88 GLU CA C 58.043 0.000 1 797 109 88 GLU CB C 28.145 0.017 1 798 109 88 GLU CG C 33.401 0.044 1 799 109 88 GLU N N 116.761 0.020 1 800 110 89 ILE H H 8.636 0.003 1 801 110 89 ILE HA H 3.722 0.001 1 802 110 89 ILE HB H 1.825 0.002 1 803 110 89 ILE HG12 H 1.812 0.000 2 804 110 89 ILE HG13 H 0.966 0.006 2 805 110 89 ILE HG2 H 0.905 0.001 1 806 110 89 ILE HD1 H 0.462 0.001 1 807 110 89 ILE CA C 66.438 0.024 1 808 110 89 ILE CB C 38.686 0.030 1 809 110 89 ILE CG1 C 30.527 0.039 1 810 110 89 ILE CG2 C 17.297 0.034 1 811 110 89 ILE CD1 C 13.541 0.017 1 812 110 89 ILE N N 123.412 0.020 1 813 111 90 ALA H H 8.922 0.003 1 814 111 90 ALA HA H 4.190 0.000 1 815 111 90 ALA HB H 1.721 0.005 1 816 111 90 ALA CA C 55.762 0.013 1 817 111 90 ALA CB C 17.725 0.038 1 818 111 90 ALA N N 124.496 0.004 1 819 112 91 CYS H H 7.806 0.003 1 820 112 91 CYS HA H 3.953 0.000 1 821 112 91 CYS HB2 H 3.633 0.006 2 822 112 91 CYS HB3 H 2.622 0.000 2 823 112 91 CYS CA C 65.534 0.021 1 824 112 91 CYS CB C 26.995 0.025 1 825 112 91 CYS N N 114.588 0.006 1 826 113 92 LEU H H 7.287 0.004 1 827 113 92 LEU HA H 4.457 0.004 1 828 113 92 LEU HB2 H 1.409 0.001 2 829 113 92 LEU HB3 H 2.053 0.002 2 830 113 92 LEU HG H 1.965 0.000 1 831 113 92 LEU HD1 H 0.550 0.001 2 832 113 92 LEU HD2 H 0.982 0.000 2 833 113 92 LEU CA C 58.177 0.023 1 834 113 92 LEU CB C 40.971 0.023 1 835 113 92 LEU CG C 28.119 0.077 1 836 113 92 LEU CD1 C 27.470 0.026 1 837 113 92 LEU CD2 C 24.598 0.045 1 838 113 92 LEU N N 117.566 0.009 1 839 114 93 ARG H H 8.742 0.006 1 840 114 93 ARG HA H 3.916 0.003 1 841 114 93 ARG HB2 H 2.003 0.005 2 842 114 93 ARG HG2 H 1.462 0.001 2 843 114 93 ARG HD2 H 3.008 0.005 2 844 114 93 ARG HD3 H 3.008 0.005 2 845 114 93 ARG HE H 7.702 0.004 1 846 114 93 ARG CA C 60.879 0.041 1 847 114 93 ARG CB C 29.146 0.000 1 848 114 93 ARG CG C 31.351 0.046 1 849 114 93 ARG CD C 43.347 0.028 1 850 114 93 ARG N N 120.883 0.012 1 851 114 93 ARG NE N 86.248 0.022 1 852 115 94 SER H H 8.557 0.002 1 853 115 94 SER HB2 H 4.076 0.000 2 854 115 94 SER HB3 H 4.076 0.000 2 855 115 94 SER N N 115.472 0.022 1 856 116 95 MET H H 8.022 0.001 1 857 116 95 MET HA H 4.255 0.000 1 858 116 95 MET HB2 H 2.312 0.000 2 859 116 95 MET HB3 H 2.374 0.004 2 860 116 95 MET HG2 H 2.931 0.004 2 861 116 95 MET HG3 H 2.601 0.002 2 862 116 95 MET HE H 1.810 0.001 1 863 116 95 MET CA C 59.888 0.025 1 864 116 95 MET CB C 35.767 0.062 1 865 116 95 MET CG C 33.070 0.011 1 866 116 95 MET CE C 16.833 0.011 1 867 116 95 MET N N 120.318 0.014 1 868 117 96 ALA H H 8.790 0.005 1 869 117 96 ALA HA H 3.976 0.003 1 870 117 96 ALA HB H 1.396 0.003 1 871 117 96 ALA CA C 54.796 0.016 1 872 117 96 ALA CB C 17.430 0.019 1 873 117 96 ALA N N 121.393 0.017 1 874 118 97 ALA H H 7.584 0.002 1 875 118 97 ALA HA H 4.039 0.003 1 876 118 97 ALA HB H 1.690 0.002 1 877 118 97 ALA CA C 55.475 0.011 1 878 118 97 ALA CB C 17.032 0.049 1 879 118 97 ALA N N 119.764 0.005 1 880 119 98 SER H H 8.509 0.002 1 881 119 98 SER HA H 4.274 0.001 1 882 119 98 SER HB2 H 4.043 0.000 2 883 119 98 SER HB3 H 4.043 0.000 2 884 119 98 SER CA C 62.639 0.000 1 885 119 98 SER CB C 62.092 0.000 1 886 119 98 SER N N 116.175 0.011 1 887 120 99 ALA H H 8.335 0.004 1 888 120 99 ALA HA H 3.309 0.002 1 889 120 99 ALA HB H 0.377 0.007 1 890 120 99 ALA CA C 55.049 0.006 1 891 120 99 ALA CB C 16.613 0.008 1 892 120 99 ALA N N 124.514 0.023 1 893 121 100 ARG H H 7.612 0.002 1 894 121 100 ARG HA H 3.498 0.004 1 895 121 100 ARG HB2 H 1.210 0.007 2 896 121 100 ARG HB3 H 0.629 0.004 2 897 121 100 ARG HG2 H 1.880 0.002 2 898 121 100 ARG HG3 H 1.230 0.011 2 899 121 100 ARG HD2 H 2.644 0.002 2 900 121 100 ARG HD3 H 2.561 0.001 2 901 121 100 ARG HE H 7.802 0.004 1 902 121 100 ARG CA C 59.121 0.028 1 903 121 100 ARG CB C 30.412 0.074 1 904 121 100 ARG CG C 28.484 0.054 1 905 121 100 ARG CD C 45.029 0.052 1 906 121 100 ARG N N 115.640 0.018 1 907 121 100 ARG NE N 85.714 0.040 1 908 122 101 LEU H H 8.278 0.000 1 909 122 101 LEU HA H 3.617 0.008 1 910 122 101 LEU HB2 H 2.290 0.011 2 911 122 101 LEU HB3 H 1.395 0.004 2 912 122 101 LEU HG H 1.453 0.001 1 913 122 101 LEU HD1 H 0.874 0.000 2 914 122 101 LEU HD2 H 0.909 0.003 2 915 122 101 LEU CA C 58.788 0.021 1 916 122 101 LEU CB C 42.101 0.036 1 917 122 101 LEU CG C 27.505 0.006 1 918 122 101 LEU CD1 C 25.625 0.058 2 919 122 101 LEU CD2 C 25.790 0.003 2 920 122 101 LEU N N 123.668 0.000 1 921 123 102 LEU H H 7.083 0.001 1 922 123 102 LEU HA H 3.786 0.001 1 923 123 102 LEU HB2 H 1.744 0.002 2 924 123 102 LEU HB3 H 1.546 0.004 2 925 123 102 LEU HG H 1.885 0.000 1 926 123 102 LEU HD1 H 0.958 0.001 2 927 123 102 LEU HD2 H 0.828 0.002 2 928 123 102 LEU CA C 56.558 0.045 1 929 123 102 LEU CB C 41.795 0.038 1 930 123 102 LEU CG C 26.878 0.025 1 931 123 102 LEU CD1 C 25.761 0.036 2 932 123 102 LEU CD2 C 22.491 0.067 2 933 123 102 LEU N N 114.131 0.004 1 934 124 103 VAL H H 7.136 0.002 1 935 124 103 VAL HA H 3.416 0.004 1 936 124 103 VAL HB H 1.763 0.003 1 937 124 103 VAL HG1 H 0.895 0.001 2 938 124 103 VAL HG2 H 1.126 0.000 2 939 124 103 VAL CA C 66.273 0.032 1 940 124 103 VAL CB C 33.299 0.013 1 941 124 103 VAL CG1 C 20.607 0.009 1 942 124 103 VAL CG2 C 23.361 0.045 1 943 124 103 VAL N N 119.121 0.008 1 944 125 104 ASN H H 6.991 0.003 1 945 125 104 ASN HA H 4.702 0.001 1 946 125 104 ASN HB2 H 2.914 0.004 2 947 125 104 ASN HB3 H 2.914 0.004 2 948 125 104 ASN HD21 H 7.457 0.007 2 949 125 104 ASN HD22 H 6.845 0.003 2 950 125 104 ASN CA C 52.031 0.010 1 951 125 104 ASN CB C 37.648 0.054 1 952 125 104 ASN N N 107.792 0.005 1 953 125 104 ASN ND2 N 111.883 0.044 1 954 126 105 PRO HA H 4.305 0.001 1 955 126 105 PRO HB2 H 2.039 0.000 2 956 126 105 PRO HB3 H 2.257 0.000 2 957 126 105 PRO HG2 H 1.999 0.000 2 958 126 105 PRO HG3 H 2.225 0.003 2 959 126 105 PRO HD2 H 3.631 0.000 2 960 126 105 PRO HD3 H 3.904 0.008 2 961 126 105 PRO CA C 65.796 0.027 1 962 126 105 PRO CB C 32.354 0.050 1 963 126 105 PRO CG C 27.957 0.040 1 964 126 105 PRO CD C 50.173 0.046 1 965 127 106 GLN H H 8.230 0.003 1 966 127 106 GLN HA H 4.183 0.001 1 967 127 106 GLN HB2 H 2.252 0.001 2 968 127 106 GLN HB3 H 2.157 0.000 2 969 127 106 GLN HG2 H 2.484 0.002 2 970 127 106 GLN HG3 H 2.484 0.002 2 971 127 106 GLN HE21 H 6.823 0.005 2 972 127 106 GLN HE22 H 7.545 0.005 2 973 127 106 GLN CA C 59.319 0.022 1 974 127 106 GLN CB C 28.479 0.028 1 975 127 106 GLN CG C 34.449 0.020 1 976 127 106 GLN N N 114.866 0.003 1 977 127 106 GLN NE2 N 112.041 0.026 1 978 128 107 GLU H H 7.217 0.001 1 979 128 107 GLU HA H 4.462 0.001 1 980 128 107 GLU HB2 H 1.853 0.002 2 981 128 107 GLU HB3 H 2.169 0.000 2 982 128 107 GLU HG2 H 2.224 0.001 2 983 128 107 GLU HG3 H 2.349 0.000 2 984 128 107 GLU CA C 57.338 0.010 1 985 128 107 GLU CB C 31.807 0.033 1 986 128 107 GLU CG C 36.859 0.037 1 987 128 107 GLU N N 115.346 0.006 1 988 129 108 ARG H H 8.146 0.002 1 989 129 108 ARG HA H 4.661 0.005 1 990 129 108 ARG HB2 H 2.181 0.001 2 991 129 108 ARG HB3 H 2.143 0.000 2 992 129 108 ARG HG2 H 2.043 0.000 2 993 129 108 ARG HG3 H 1.767 0.003 2 994 129 108 ARG HD2 H 2.986 0.000 2 995 129 108 ARG HD3 H 2.986 0.000 2 996 129 108 ARG CA C 57.278 0.056 1 997 129 108 ARG CB C 32.873 0.106 1 998 129 108 ARG CG C 29.526 0.053 1 999 129 108 ARG CD C 45.009 0.019 1 1000 129 108 ARG N N 115.119 0.009 1 1001 130 109 TRP H H 8.056 0.006 1 1002 130 109 TRP HA H 4.127 0.002 1 1003 130 109 TRP HB2 H 3.252 0.005 2 1004 130 109 TRP HB3 H 3.586 0.009 2 1005 130 109 TRP HD1 H 7.243 0.004 1 1006 130 109 TRP HE1 H 9.848 0.007 1 1007 130 109 TRP HE3 H 7.447 0.001 1 1008 130 109 TRP HZ2 H 7.356 0.006 1 1009 130 109 TRP HZ3 H 7.068 0.001 1 1010 130 109 TRP HH2 H 7.166 0.001 1 1011 130 109 TRP CA C 61.649 0.017 1 1012 130 109 TRP CB C 28.481 0.021 1 1013 130 109 TRP CD1 C 127.410 0.000 1 1014 130 109 TRP CE3 C 120.660 0.048 1 1015 130 109 TRP CZ2 C 114.635 0.000 1 1016 130 109 TRP CZ3 C 122.067 0.032 1 1017 130 109 TRP CH2 C 124.882 0.020 1 1018 130 109 TRP N N 124.133 0.000 1 1019 130 109 TRP NE1 N 129.356 0.038 1 1020 131 110 GLN H H 8.220 0.003 1 1021 131 110 GLN HA H 3.790 0.004 1 1022 131 110 GLN HB2 H 1.872 0.004 2 1023 131 110 GLN HB3 H 1.759 0.006 2 1024 131 110 GLN HG2 H 2.058 0.004 2 1025 131 110 GLN HG3 H 1.996 0.007 2 1026 131 110 GLN HE21 H 7.303 0.004 2 1027 131 110 GLN HE22 H 6.760 0.001 2 1028 131 110 GLN CA C 58.227 0.013 1 1029 131 110 GLN CB C 28.358 0.040 1 1030 131 110 GLN CG C 33.809 0.034 1 1031 131 110 GLN N N 116.273 0.011 1 1032 131 110 GLN NE2 N 111.678 0.036 1 1033 132 111 THR H H 7.388 0.003 1 1034 132 111 THR HA H 4.097 0.003 1 1035 132 111 THR HB H 3.676 0.005 1 1036 132 111 THR HG2 H 0.776 0.002 1 1037 132 111 THR CA C 61.664 0.049 1 1038 132 111 THR CB C 68.486 0.021 1 1039 132 111 THR CG2 C 21.734 0.038 1 1040 132 111 THR N N 109.716 0.020 1 1041 133 112 TYR H H 8.416 0.004 1 1042 133 112 TYR HA H 4.237 0.000 1 1043 133 112 TYR HB2 H 3.548 0.005 2 1044 133 112 TYR HB3 H 2.405 0.005 2 1045 133 112 TYR HD1 H 7.018 0.002 3 1046 133 112 TYR HD2 H 7.018 0.002 3 1047 133 112 TYR HE1 H 6.775 0.000 3 1048 133 112 TYR HE2 H 6.775 0.000 3 1049 133 112 TYR CA C 62.051 0.032 1 1050 133 112 TYR CB C 38.579 0.069 1 1051 133 112 TYR CD1 C 132.123 0.017 1 1052 133 112 TYR CE1 C 118.722 0.009 1 1053 133 112 TYR N N 121.655 0.000 1 1054 134 113 GLY H H 8.245 0.002 1 1055 134 113 GLY HA2 H 3.529 0.012 2 1056 134 113 GLY CA C 47.759 0.020 1 1057 134 113 GLY N N 109.228 0.008 1 1058 135 114 ALA H H 6.748 0.003 1 1059 135 114 ALA HA H 4.039 0.000 1 1060 135 114 ALA HB H 1.290 0.001 1 1061 135 114 ALA CA C 54.567 0.018 1 1062 135 114 ALA CB C 18.026 0.001 1 1063 135 114 ALA N N 124.160 0.006 1 1064 136 115 GLU H H 7.647 0.001 1 1065 136 115 GLU HA H 4.303 0.003 1 1066 136 115 GLU HB2 H 2.071 0.005 2 1067 136 115 GLU HB3 H 1.832 0.000 2 1068 136 115 GLU HG2 H 2.070 0.000 2 1069 136 115 GLU HG3 H 2.471 0.000 2 1070 136 115 GLU CA C 58.394 0.036 1 1071 136 115 GLU CB C 29.139 0.041 1 1072 136 115 GLU CG C 34.560 0.026 1 1073 136 115 GLU N N 119.712 0.005 1 1074 137 116 SER H H 8.178 0.003 1 1075 137 116 SER HA H 4.032 0.000 1 1076 137 116 SER N N 113.657 0.001 1 1077 138 117 SER H H 7.427 0.003 1 1078 138 117 SER HA H 4.229 0.004 1 1079 138 117 SER HB2 H 3.909 0.001 2 1080 138 117 SER HB3 H 3.909 0.001 2 1081 138 117 SER CA C 61.511 0.030 1 1082 138 117 SER CB C 62.737 0.085 1 1083 138 117 SER N N 115.164 0.007 1 1084 139 118 ARG H H 8.357 0.004 1 1085 139 118 ARG HA H 4.028 0.002 1 1086 139 118 ARG HB2 H 1.898 0.010 2 1087 139 118 ARG HB3 H 1.864 0.000 2 1088 139 118 ARG HG2 H 1.643 0.002 2 1089 139 118 ARG HG3 H 1.438 0.000 2 1090 139 118 ARG HD2 H 3.195 0.000 2 1091 139 118 ARG HD3 H 3.085 0.002 2 1092 139 118 ARG CA C 59.730 0.043 1 1093 139 118 ARG CB C 30.726 0.025 1 1094 139 118 ARG CG C 28.113 0.031 1 1095 139 118 ARG CD C 43.276 0.039 1 1096 139 118 ARG N N 125.216 0.004 1 1097 140 119 GLN H H 8.202 0.002 1 1098 140 119 GLN HA H 3.992 0.000 1 1099 140 119 GLN HB2 H 1.596 0.001 2 1100 140 119 GLN HB3 H 1.596 0.001 2 1101 140 119 GLN HG2 H 2.623 0.007 2 1102 140 119 GLN HG3 H 1.896 0.007 2 1103 140 119 GLN HE21 H 7.499 0.004 2 1104 140 119 GLN HE22 H 6.416 0.005 2 1105 140 119 GLN CA C 58.122 0.038 1 1106 140 119 GLN CB C 27.249 0.026 1 1107 140 119 GLN CG C 33.125 0.053 1 1108 140 119 GLN N N 116.563 0.008 1 1109 140 119 GLN NE2 N 109.587 0.072 1 1110 141 120 LEU H H 7.405 0.000 1 1111 141 120 LEU HA H 4.069 0.000 1 1112 141 120 LEU HB2 H 1.829 0.002 2 1113 141 120 LEU HB3 H 1.303 0.002 2 1114 141 120 LEU HG H 1.837 0.005 1 1115 141 120 LEU HD1 H 0.706 0.000 2 1116 141 120 LEU HD2 H 0.853 0.002 2 1117 141 120 LEU CA C 57.713 0.025 1 1118 141 120 LEU CB C 41.112 0.056 1 1119 141 120 LEU CG C 26.817 0.077 1 1120 141 120 LEU CD1 C 24.886 0.119 1 1121 141 120 LEU CD2 C 23.772 0.023 1 1122 141 120 LEU N N 119.160 0.035 1 1123 142 121 ALA H H 7.521 0.002 1 1124 142 121 ALA HA H 4.049 0.000 1 1125 142 121 ALA HB H 1.472 0.000 1 1126 142 121 ALA CA C 55.378 0.000 1 1127 142 121 ALA CB C 17.283 0.000 1 1128 142 121 ALA N N 121.751 0.021 1 1129 143 122 VAL H H 7.791 0.003 1 1130 143 122 VAL HA H 3.558 0.002 1 1131 143 122 VAL HB H 2.261 0.001 1 1132 143 122 VAL HG1 H 0.826 0.000 2 1133 143 122 VAL HG2 H 0.966 0.000 2 1134 143 122 VAL CA C 66.256 0.023 1 1135 143 122 VAL CB C 31.375 0.068 1 1136 143 122 VAL CG1 C 21.125 0.060 1 1137 143 122 VAL CG2 C 22.228 0.012 1 1138 143 122 VAL N N 119.910 0.016 1 1139 144 123 ALA H H 8.372 0.003 1 1140 144 123 ALA HA H 3.915 0.000 1 1141 144 123 ALA HB H 1.603 0.005 1 1142 144 123 ALA CA C 56.041 0.006 1 1143 144 123 ALA CB C 20.049 0.017 1 1144 144 123 ALA N N 122.346 0.003 1 1145 145 124 LEU H H 8.148 0.002 1 1146 145 124 LEU HA H 3.760 0.000 1 1147 145 124 LEU HB2 H 1.694 0.003 2 1148 145 124 LEU HB3 H 1.240 0.001 2 1149 145 124 LEU HG H 1.289 0.001 1 1150 145 124 LEU HD1 H 0.554 0.000 2 1151 145 124 LEU HD2 H 0.092 0.000 2 1152 145 124 LEU CA C 56.998 0.009 1 1153 145 124 LEU CB C 42.568 0.017 1 1154 145 124 LEU CG C 27.479 0.013 1 1155 145 124 LEU CD1 C 25.103 0.022 1 1156 145 124 LEU CD2 C 23.401 0.016 1 1157 145 124 LEU N N 119.250 0.015 1 1158 146 125 GLU H H 7.555 0.002 1 1159 146 125 GLU HA H 3.992 0.001 1 1160 146 125 GLU HB2 H 2.005 0.005 2 1161 146 125 GLU HB3 H 2.005 0.005 2 1162 146 125 GLU HG2 H 2.180 0.000 2 1163 146 125 GLU HG3 H 2.268 0.001 2 1164 146 125 GLU CA C 58.324 0.028 1 1165 146 125 GLU CB C 29.816 0.002 1 1166 146 125 GLU CG C 36.483 0.090 1 1167 146 125 GLU N N 118.757 0.007 1 1168 147 126 ALA H H 8.065 0.002 1 1169 147 126 ALA HA H 4.165 0.003 1 1170 147 126 ALA HB H 1.357 0.005 1 1171 147 126 ALA CA C 54.221 0.007 1 1172 147 126 ALA CB C 18.399 0.004 1 1173 147 126 ALA N N 119.689 0.016 1 1174 148 127 ASN H H 7.260 0.003 1 1175 148 127 ASN HA H 4.925 0.000 1 1176 148 127 ASN HB2 H 3.112 0.004 2 1177 148 127 ASN HB3 H 3.342 0.010 2 1178 148 127 ASN HD21 H 8.401 0.003 2 1179 148 127 ASN HD22 H 6.973 0.006 2 1180 148 127 ASN CA C 51.407 0.013 1 1181 148 127 ASN CB C 37.759 0.009 1 1182 148 127 ASN N N 108.246 0.020 1 1183 148 127 ASN ND2 N 113.099 0.069 1 1184 149 128 PRO HA H 4.687 0.002 1 1185 149 128 PRO HB2 H 2.472 0.002 2 1186 149 128 PRO HB3 H 2.100 0.006 2 1187 149 128 PRO HG2 H 2.127 0.000 2 1188 149 128 PRO HG3 H 1.960 0.002 2 1189 149 128 PRO HD2 H 3.512 0.000 2 1190 149 128 PRO HD3 H 3.795 0.000 2 1191 149 128 PRO CA C 63.470 0.018 1 1192 149 128 PRO CB C 31.882 0.065 1 1193 149 128 PRO CG C 26.623 0.061 1 1194 149 128 PRO CD C 50.738 0.044 1 1195 150 129 ALA H H 8.144 0.003 1 1196 150 129 ALA HA H 4.872 0.002 1 1197 150 129 ALA HB H 1.410 0.002 1 1198 150 129 ALA CA C 51.049 0.001 1 1199 150 129 ALA CB C 19.142 0.075 1 1200 150 129 ALA N N 123.630 0.023 1 1201 151 130 ASN H H 7.348 0.000 1 1202 151 130 ASN HA H 4.571 0.000 1 1203 151 130 ASN HB2 H 2.785 0.005 2 1204 151 130 ASN HB3 H 2.901 0.003 2 1205 151 130 ASN HD21 H 7.861 0.007 2 1206 151 130 ASN HD22 H 5.533 0.005 2 1207 151 130 ASN CA C 51.096 0.034 1 1208 151 130 ASN CB C 37.976 0.035 1 1209 151 130 ASN N N 119.816 0.000 1 1210 151 130 ASN ND2 N 106.075 0.071 1 1211 152 131 PRO HA H 3.947 0.001 1 1212 152 131 PRO HB2 H 1.261 0.004 2 1213 152 131 PRO HB3 H 0.145 0.004 2 1214 152 131 PRO HG2 H 1.333 0.003 2 1215 152 131 PRO HG3 H 1.258 0.004 2 1216 152 131 PRO HD2 H 3.825 0.000 2 1217 152 131 PRO HD3 H 3.966 0.000 2 1218 152 131 PRO CA C 65.262 0.010 1 1219 152 131 PRO CB C 30.638 0.043 1 1220 152 131 PRO CG C 27.740 0.014 1 1221 152 131 PRO CD C 50.982 0.020 1 1222 153 132 ARG H H 7.447 0.000 1 1223 153 132 ARG HA H 3.749 0.003 1 1224 153 132 ARG HB2 H 1.351 0.003 2 1225 153 132 ARG HB3 H 1.740 0.005 2 1226 153 132 ARG HG2 H -0.141 0.006 2 1227 153 132 ARG HG3 H 1.007 0.000 2 1228 153 132 ARG HD2 H 1.861 0.005 2 1229 153 132 ARG HD3 H 1.037 0.010 2 1230 153 132 ARG HE H 9.096 0.003 1 1231 153 132 ARG CA C 59.411 0.112 1 1232 153 132 ARG CB C 29.939 0.090 1 1233 153 132 ARG CG C 28.151 0.046 1 1234 153 132 ARG CD C 40.656 0.049 1 1235 153 132 ARG N N 117.342 0.000 1 1236 153 132 ARG NE N 83.378 0.038 1 1237 154 133 ALA H H 6.574 0.002 1 1238 154 133 ALA HA H 3.963 0.007 1 1239 154 133 ALA HB H 0.972 0.000 1 1240 154 133 ALA CA C 54.694 0.013 1 1241 154 133 ALA CB C 17.636 0.037 1 1242 154 133 ALA N N 121.880 0.001 1 1243 155 134 TYR H H 6.595 0.000 1 1244 155 134 TYR HA H 4.096 0.000 1 1245 155 134 TYR HB2 H 2.426 0.009 2 1246 155 134 TYR HB3 H 3.835 0.005 2 1247 155 134 TYR HD1 H 7.175 0.003 3 1248 155 134 TYR HD2 H 7.175 0.003 3 1249 155 134 TYR HE1 H 6.807 0.003 3 1250 155 134 TYR HE2 H 6.807 0.003 3 1251 155 134 TYR CA C 63.052 0.005 1 1252 155 134 TYR CB C 38.790 0.001 1 1253 155 134 TYR CD1 C 132.724 0.022 1 1254 155 134 TYR CE1 C 119.308 0.000 1 1255 155 134 TYR N N 113.422 0.014 1 1256 156 135 PHE H H 7.915 0.004 1 1257 156 135 PHE HA H 4.309 0.001 1 1258 156 135 PHE HB2 H 3.908 0.002 2 1259 156 135 PHE HB3 H 3.141 0.009 2 1260 156 135 PHE HD1 H 7.211 0.002 3 1261 156 135 PHE HD2 H 7.211 0.002 3 1262 156 135 PHE HE1 H 7.291 0.004 3 1263 156 135 PHE HE2 H 7.291 0.004 3 1264 156 135 PHE CA C 60.598 0.003 1 1265 156 135 PHE CB C 38.952 0.035 1 1266 156 135 PHE CD1 C 131.524 0.009 1 1267 156 135 PHE CE1 C 130.660 0.000 1 1268 156 135 PHE N N 119.891 0.023 1 1269 157 136 LEU H H 8.289 0.004 1 1270 157 136 LEU HA H 3.574 0.004 1 1271 157 136 LEU HB2 H 1.972 0.000 2 1272 157 136 LEU HB3 H 1.322 0.004 2 1273 157 136 LEU HG H 2.188 0.002 1 1274 157 136 LEU HD1 H 1.123 0.000 2 1275 157 136 LEU HD2 H 0.999 0.001 2 1276 157 136 LEU CA C 57.290 0.020 1 1277 157 136 LEU CB C 42.452 0.058 1 1278 157 136 LEU CG C 27.666 0.086 1 1279 157 136 LEU CD1 C 26.810 0.020 2 1280 157 136 LEU CD2 C 21.759 0.036 2 1281 157 136 LEU N N 118.595 0.016 1 1282 158 137 GLN H H 8.053 0.002 1 1283 158 137 GLN HA H 4.008 0.005 1 1284 158 137 GLN HB2 H 1.907 0.004 2 1285 158 137 GLN HB3 H 1.693 0.000 2 1286 158 137 GLN HG2 H 1.213 0.001 2 1287 158 137 GLN HG3 H 1.162 0.000 2 1288 158 137 GLN HE21 H 6.467 0.003 2 1289 158 137 GLN HE22 H 5.823 0.004 2 1290 158 137 GLN CA C 58.465 0.037 1 1291 158 137 GLN CB C 28.295 0.027 1 1292 158 137 GLN CG C 32.023 0.027 1 1293 158 137 GLN N N 121.827 0.002 1 1294 158 137 GLN NE2 N 108.334 0.046 1 1295 159 138 ALA H H 8.354 0.005 1 1296 159 138 ALA HA H 3.974 0.002 1 1297 159 138 ALA HB H 1.586 0.000 1 1298 159 138 ALA CA C 55.596 0.015 1 1299 159 138 ALA CB C 18.961 0.001 1 1300 159 138 ALA N N 122.618 0.051 1 1301 160 139 GLN H H 8.453 0.003 1 1302 160 139 GLN HA H 3.581 0.006 1 1303 160 139 GLN HB2 H 1.564 0.006 2 1304 160 139 GLN HB3 H 1.771 0.005 2 1305 160 139 GLN HG2 H 2.100 0.009 2 1306 160 139 GLN HG3 H 1.978 0.004 2 1307 160 139 GLN HE21 H 7.084 0.004 2 1308 160 139 GLN HE22 H 6.510 0.004 2 1309 160 139 GLN CA C 59.644 0.013 1 1310 160 139 GLN CB C 29.691 0.025 1 1311 160 139 GLN CG C 34.844 0.053 1 1312 160 139 GLN N N 117.234 0.006 1 1313 160 139 GLN NE2 N 109.626 0.039 1 1314 161 140 SER H H 7.854 0.004 1 1315 161 140 SER HA H 4.118 0.000 1 1316 161 140 SER HB2 H 3.847 0.000 2 1317 161 140 SER HB3 H 3.811 0.000 2 1318 161 140 SER CA C 61.200 0.002 1 1319 161 140 SER CB C 62.875 0.028 1 1320 161 140 SER N N 112.288 0.022 1 1321 162 141 LEU H H 7.945 0.004 1 1322 162 141 LEU HA H 4.015 0.009 1 1323 162 141 LEU HB2 H 1.859 0.009 2 1324 162 141 LEU HB3 H 1.284 0.003 2 1325 162 141 LEU HG H 1.618 0.000 1 1326 162 141 LEU HD1 H 0.719 0.000 2 1327 162 141 LEU HD2 H 0.829 0.001 2 1328 162 141 LEU CA C 57.956 0.026 1 1329 162 141 LEU CB C 42.488 0.022 1 1330 162 141 LEU CG C 27.425 0.027 1 1331 162 141 LEU CD1 C 27.482 0.019 1 1332 162 141 LEU CD2 C 22.600 0.029 1 1333 162 141 LEU N N 121.797 0.028 1 1334 163 142 LEU H H 8.192 0.003 1 1335 163 142 LEU HA H 3.696 0.003 1 1336 163 142 LEU HB2 H 1.524 0.005 2 1337 163 142 LEU HB3 H 1.252 0.003 2 1338 163 142 LEU HG H 0.992 0.000 1 1339 163 142 LEU HD1 H 0.762 0.000 2 1340 163 142 LEU HD2 H 0.643 0.000 2 1341 163 142 LEU CA C 58.108 0.031 1 1342 163 142 LEU CB C 41.714 0.034 1 1343 163 142 LEU CG C 26.610 0.106 1 1344 163 142 LEU CD1 C 24.348 0.026 1 1345 163 142 LEU CD2 C 26.013 0.021 1 1346 163 142 LEU N N 121.126 0.014 1 1347 164 143 TYR H H 7.082 0.001 1 1348 164 143 TYR HA H 4.599 0.011 1 1349 164 143 TYR HB2 H 2.852 0.008 2 1350 164 143 TYR HB3 H 3.377 0.006 2 1351 164 143 TYR HD1 H 7.218 0.000 3 1352 164 143 TYR HD2 H 7.218 0.000 3 1353 164 143 TYR HE1 H 6.721 0.000 3 1354 164 143 TYR HE2 H 6.721 0.000 3 1355 164 143 TYR CA C 57.701 0.030 1 1356 164 143 TYR CB C 38.136 0.067 1 1357 164 143 TYR CD1 C 133.117 0.006 1 1358 164 143 TYR CE1 C 117.857 0.008 1 1359 164 143 TYR N N 114.089 0.027 1 1360 165 144 THR H H 7.439 0.003 1 1361 165 144 THR HA H 4.563 0.007 1 1362 165 144 THR HB H 4.159 0.004 1 1363 165 144 THR HG1 H 5.820 0.000 1 1364 165 144 THR HG2 H 1.324 0.005 1 1365 165 144 THR CA C 61.736 0.038 1 1366 165 144 THR CB C 70.590 0.007 1 1367 165 144 THR CG2 C 20.532 0.032 1 1368 165 144 THR N N 120.867 0.006 1 1369 166 145 PRO HA H 4.322 0.004 1 1370 166 145 PRO HB2 H 2.424 0.004 2 1371 166 145 PRO HB3 H 1.573 0.005 2 1372 166 145 PRO HG2 H 1.327 0.000 2 1373 166 145 PRO HG3 H 1.991 0.000 2 1374 166 145 PRO HD2 H 4.026 0.007 2 1375 166 145 PRO HD3 H 3.528 0.006 2 1376 166 145 PRO CA C 63.149 0.029 1 1377 166 145 PRO CB C 32.972 0.059 1 1378 166 145 PRO CG C 27.793 0.035 1 1379 166 145 PRO CD C 51.642 0.074 1 1380 167 146 ALA H H 8.994 0.000 1 1381 167 146 ALA HA H 4.107 0.000 1 1382 167 146 ALA HB H 1.421 0.012 1 1383 167 146 ALA CA C 55.115 0.068 1 1384 167 146 ALA CB C 18.035 0.046 1 1385 167 146 ALA N N 128.949 0.000 1 1386 168 147 GLN HA H 4.032 0.002 1 1387 168 147 GLN HB2 H 1.548 0.000 2 1388 168 147 GLN HB3 H 1.777 0.000 2 1389 168 147 GLN HG2 H 1.523 0.008 2 1390 168 147 GLN HG3 H 1.762 0.011 2 1391 168 147 GLN HE21 H 7.083 0.004 2 1392 168 147 GLN HE22 H 6.768 0.006 2 1393 168 147 GLN CA C 57.994 0.009 1 1394 168 147 GLN CB C 27.357 0.057 1 1395 168 147 GLN CG C 32.670 0.035 1 1396 168 147 GLN NE2 N 111.677 0.040 1 1397 169 148 PHE H H 7.421 0.002 1 1398 169 148 PHE HA H 5.011 0.002 1 1399 169 148 PHE HB2 H 2.433 0.009 2 1400 169 148 PHE HB3 H 3.571 0.005 2 1401 169 148 PHE HD1 H 6.896 0.000 3 1402 169 148 PHE HD2 H 6.896 0.000 3 1403 169 148 PHE HE1 H 7.149 0.002 3 1404 169 148 PHE HE2 H 7.149 0.002 3 1405 169 148 PHE HZ H 7.148 0.000 1 1406 169 148 PHE CA C 55.306 0.013 1 1407 169 148 PHE CB C 39.142 0.026 1 1408 169 148 PHE CD1 C 130.909 0.129 1 1409 169 148 PHE CE1 C 131.171 0.000 1 1410 169 148 PHE CZ C 129.806 0.000 1 1411 169 148 PHE N N 117.383 0.017 1 1412 170 149 GLY H H 7.729 0.003 1 1413 170 149 GLY HA2 H 3.790 0.000 2 1414 170 149 GLY HA3 H 4.302 0.000 2 1415 170 149 GLY CA C 45.483 0.027 1 1416 170 149 GLY N N 106.541 0.017 1 1417 171 150 GLY H H 7.310 0.000 1 1418 171 150 GLY HA2 H 4.107 0.000 2 1419 171 150 GLY HA3 H 4.399 0.000 2 1420 171 150 GLY CA C 43.944 0.006 1 1421 171 150 GLY N N 105.374 0.000 1 1422 172 151 GLY H H 7.995 0.002 1 1423 172 151 GLY HA2 H 4.724 0.003 2 1424 172 151 GLY HA3 H 3.970 0.000 2 1425 172 151 GLY CA C 44.147 0.027 1 1426 172 151 GLY N N 106.492 0.002 1 1427 173 152 LYS H H 8.883 0.000 1 1428 173 152 LYS HA H 3.912 0.002 1 1429 173 152 LYS HB2 H 1.912 0.002 2 1430 173 152 LYS HB3 H 1.912 0.002 2 1431 173 152 LYS HG2 H 1.588 0.000 2 1432 173 152 LYS HG3 H 1.479 0.001 2 1433 173 152 LYS HD2 H 1.762 0.002 2 1434 173 152 LYS HD3 H 1.762 0.002 2 1435 173 152 LYS HE2 H 2.966 0.001 2 1436 173 152 LYS HE3 H 3.026 0.000 2 1437 173 152 LYS CA C 60.554 0.024 1 1438 173 152 LYS CB C 32.927 0.035 1 1439 173 152 LYS CG C 25.468 0.029 1 1440 173 152 LYS CD C 29.594 0.029 1 1441 173 152 LYS CE C 41.915 0.046 1 1442 173 152 LYS N N 121.617 0.000 1 1443 174 153 ASP H H 8.730 0.003 1 1444 174 153 ASP HA H 4.351 0.000 1 1445 174 153 ASP HB2 H 2.584 0.002 2 1446 174 153 ASP HB3 H 2.717 0.015 2 1447 174 153 ASP CA C 56.268 0.028 1 1448 174 153 ASP CB C 39.419 0.123 1 1449 174 153 ASP N N 115.981 0.005 1 1450 175 154 LYS H H 7.109 0.002 1 1451 175 154 LYS HA H 4.270 0.002 1 1452 175 154 LYS HB2 H 1.871 0.006 2 1453 175 154 LYS HB3 H 1.871 0.006 2 1454 175 154 LYS HG2 H 1.317 0.002 2 1455 175 154 LYS HG3 H 1.565 0.001 2 1456 175 154 LYS HD2 H 1.566 0.000 2 1457 175 154 LYS HD3 H 1.566 0.000 2 1458 175 154 LYS HE2 H 2.966 0.000 2 1459 175 154 LYS HE3 H 2.983 0.000 2 1460 175 154 LYS CA C 56.029 0.014 1 1461 175 154 LYS CB C 32.582 0.054 1 1462 175 154 LYS CG C 24.403 0.070 1 1463 175 154 LYS CD C 27.750 0.050 1 1464 175 154 LYS CE C 42.268 0.026 1 1465 175 154 LYS N N 118.317 0.031 1 1466 176 155 ALA H H 7.966 0.003 1 1467 176 155 ALA HA H 4.268 0.003 1 1468 176 155 ALA HB H 1.557 0.007 1 1469 176 155 ALA CA C 54.828 0.007 1 1470 176 155 ALA CB C 20.966 0.015 1 1471 176 155 ALA N N 120.030 0.012 1 1472 177 156 LEU H H 7.800 0.003 1 1473 177 156 LEU HA H 4.214 0.003 1 1474 177 156 LEU HB2 H 1.731 0.005 2 1475 177 156 LEU HB3 H 2.009 0.002 2 1476 177 156 LEU HG H 1.535 0.003 1 1477 177 156 LEU HD1 H 0.920 0.001 2 1478 177 156 LEU HD2 H 0.877 0.000 2 1479 177 156 LEU CA C 60.865 0.026 1 1480 177 156 LEU CB C 39.089 0.024 1 1481 177 156 LEU CG C 27.578 0.018 1 1482 177 156 LEU CD1 C 25.744 0.034 2 1483 177 156 LEU CD2 C 24.606 0.015 2 1484 177 156 LEU N N 117.803 0.029 1 1485 178 157 PRO HA H 4.372 0.001 1 1486 178 157 PRO HB2 H 1.417 0.003 2 1487 178 157 PRO HB3 H 2.119 0.000 2 1488 178 157 PRO HG2 H 1.952 0.000 2 1489 178 157 PRO HG3 H 1.837 0.000 2 1490 178 157 PRO HD2 H 3.888 0.000 2 1491 178 157 PRO HD3 H 3.522 0.008 2 1492 178 157 PRO CA C 65.808 0.022 1 1493 178 157 PRO CB C 30.647 0.044 1 1494 178 157 PRO CG C 28.571 0.034 1 1495 178 157 PRO CD C 49.747 0.032 1 1496 179 158 PHE H H 7.013 0.002 1 1497 179 158 PHE HA H 4.223 0.004 1 1498 179 158 PHE HB2 H 3.093 0.001 2 1499 179 158 PHE HB3 H 3.572 0.012 2 1500 179 158 PHE HD1 H 7.478 0.000 3 1501 179 158 PHE HD2 H 7.478 0.000 3 1502 179 158 PHE HE1 H 7.482 0.001 3 1503 179 158 PHE HE2 H 7.482 0.001 3 1504 179 158 PHE HZ H 7.413 0.002 1 1505 179 158 PHE CA C 62.200 0.024 1 1506 179 158 PHE CB C 39.010 0.029 1 1507 179 158 PHE CD1 C 131.578 0.000 1 1508 179 158 PHE CE1 C 132.672 0.000 1 1509 179 158 PHE CZ C 130.820 0.000 1 1510 179 158 PHE N N 115.476 0.023 1 1511 180 159 ALA H H 8.477 0.003 1 1512 180 159 ALA HA H 4.092 0.001 1 1513 180 159 ALA HB H 1.497 0.006 1 1514 180 159 ALA CA C 55.316 0.013 1 1515 180 159 ALA CB C 18.294 0.027 1 1516 180 159 ALA N N 125.448 0.020 1 1517 181 160 GLU H H 8.729 0.004 1 1518 181 160 GLU HA H 3.893 0.003 1 1519 181 160 GLU HB2 H 2.018 0.000 2 1520 181 160 GLU HB3 H 1.921 0.000 2 1521 181 160 GLU HG2 H 2.304 0.000 2 1522 181 160 GLU HG3 H 2.100 0.000 2 1523 181 160 GLU CA C 59.798 0.025 1 1524 181 160 GLU CB C 30.171 0.105 1 1525 181 160 GLU CG C 36.927 0.089 1 1526 181 160 GLU N N 118.123 0.009 1 1527 182 161 LYS H H 7.533 0.002 1 1528 182 161 LYS HA H 3.915 0.000 1 1529 182 161 LYS HB2 H 1.486 0.003 2 1530 182 161 LYS HB3 H 1.119 0.009 2 1531 182 161 LYS HG2 H 0.651 0.000 2 1532 182 161 LYS HG3 H 0.651 0.000 2 1533 182 161 LYS HD2 H 1.300 0.001 2 1534 182 161 LYS HD3 H 1.233 0.000 2 1535 182 161 LYS HE2 H 2.519 0.001 2 1536 182 161 LYS HE3 H 2.619 0.000 2 1537 182 161 LYS CA C 58.345 0.066 1 1538 182 161 LYS CB C 31.891 0.028 1 1539 182 161 LYS CG C 24.315 0.028 1 1540 182 161 LYS CD C 28.716 0.029 1 1541 182 161 LYS CE C 42.038 0.017 1 1542 182 161 LYS N N 120.185 0.010 1 1543 183 162 SER H H 8.334 0.004 1 1544 183 162 SER HA H 4.322 0.000 1 1545 183 162 SER N N 113.428 0.002 1 1546 184 163 VAL H H 7.701 0.003 1 1547 184 163 VAL HA H 3.853 0.001 1 1548 184 163 VAL HB H 2.185 0.003 1 1549 184 163 VAL HG1 H 0.989 0.003 2 1550 184 163 VAL HG2 H 1.117 0.000 2 1551 184 163 VAL CA C 68.117 0.019 1 1552 184 163 VAL CB C 31.888 0.079 1 1553 184 163 VAL CG1 C 21.414 0.108 1 1554 184 163 VAL CG2 C 24.363 0.018 1 1555 184 163 VAL N N 117.295 0.008 1 1556 185 164 SER H H 8.010 0.003 1 1557 185 164 SER HA H 4.270 0.002 1 1558 185 164 SER HB2 H 3.937 0.000 2 1559 185 164 SER HB3 H 3.956 0.000 2 1560 185 164 SER CA C 61.861 0.033 1 1561 185 164 SER CB C 62.644 0.028 1 1562 185 164 SER N N 116.263 0.009 1 1563 186 165 CYS H H 8.413 0.003 1 1564 186 165 CYS HA H 4.210 0.001 1 1565 186 165 CYS HB2 H 2.521 0.004 2 1566 186 165 CYS HB3 H 2.951 0.002 2 1567 186 165 CYS CA C 64.296 0.022 1 1568 186 165 CYS CB C 27.029 0.023 1 1569 186 165 CYS N N 120.453 0.021 1 1570 187 166 TYR H H 8.791 0.003 1 1571 187 166 TYR HA H 4.027 0.006 1 1572 187 166 TYR HB2 H 3.020 0.000 2 1573 187 166 TYR HB3 H 3.020 0.000 2 1574 187 166 TYR HD1 H 7.114 0.000 3 1575 187 166 TYR HD2 H 7.114 0.000 3 1576 187 166 TYR HE1 H 6.226 0.004 3 1577 187 166 TYR HE2 H 6.226 0.004 3 1578 187 166 TYR CA C 64.246 0.023 1 1579 187 166 TYR CB C 38.296 0.008 1 1580 187 166 TYR CE1 C 118.183 0.010 1 1581 187 166 TYR N N 122.352 0.001 1 1582 188 167 ALA H H 7.766 0.003 1 1583 188 167 ALA HA H 4.234 0.003 1 1584 188 167 ALA HB H 1.508 0.000 1 1585 188 167 ALA CA C 54.419 0.000 1 1586 188 167 ALA CB C 18.067 0.000 1 1587 188 167 ALA N N 120.770 0.010 1 1588 189 168 ALA H H 7.107 0.002 1 1589 189 168 ALA HA H 4.431 0.001 1 1590 189 168 ALA HB H 1.423 0.000 1 1591 189 168 ALA CA C 51.602 0.003 1 1592 189 168 ALA CB C 20.064 0.001 1 1593 189 168 ALA N N 117.899 0.008 1 1594 190 169 ALA H H 7.203 0.002 1 1595 190 169 ALA HA H 4.244 0.003 1 1596 190 169 ALA HB H 1.456 0.002 1 1597 190 169 ALA CA C 53.165 0.008 1 1598 190 169 ALA CB C 19.162 0.000 1 1599 190 169 ALA N N 122.374 0.007 1 1600 191 170 THR H H 8.388 0.003 1 1601 191 170 THR HA H 4.399 0.002 1 1602 191 170 THR HB H 4.029 0.001 1 1603 191 170 THR HG2 H 1.121 0.000 1 1604 191 170 THR CA C 61.179 0.031 1 1605 191 170 THR CB C 70.175 0.014 1 1606 191 170 THR CG2 C 21.340 0.022 1 1607 191 170 THR N N 117.656 0.010 1 1608 192 171 VAL H H 8.555 0.000 1 1609 192 171 VAL HA H 4.076 0.000 1 1610 192 171 VAL HB H 1.885 0.001 1 1611 192 171 VAL HG1 H 0.781 0.000 2 1612 192 171 VAL HG2 H 0.873 0.001 2 1613 192 171 VAL CA C 61.950 0.019 1 1614 192 171 VAL CB C 32.596 0.022 1 1615 192 171 VAL CG1 C 21.953 0.016 1 1616 192 171 VAL CG2 C 20.685 0.015 1 1617 192 171 VAL N N 127.344 0.004 1 1618 193 172 SER H H 8.224 0.003 1 1619 193 172 SER HA H 4.221 0.000 1 1620 193 172 SER HB2 H 3.564 0.002 2 1621 193 172 SER HB3 H 3.564 0.002 2 1622 193 172 SER CA C 55.877 0.001 1 1623 193 172 SER CB C 64.763 0.008 1 1624 193 172 SER N N 122.440 0.021 1 1625 194 173 PRO HA H 4.719 0.006 1 1626 194 173 PRO HB2 H 2.346 0.004 2 1627 194 173 PRO HB3 H 1.462 0.001 2 1628 194 173 PRO HG2 H 0.559 0.003 2 1629 194 173 PRO HG3 H 1.617 0.000 2 1630 194 173 PRO HD2 H 3.353 0.006 2 1631 194 173 PRO HD3 H 3.353 0.006 2 1632 194 173 PRO CA C 62.977 0.022 1 1633 194 173 PRO CB C 35.124 0.083 1 1634 194 173 PRO CG C 24.750 0.173 1 1635 194 173 PRO CD C 49.514 0.064 1 1636 195 174 ALA H H 8.744 0.008 1 1637 195 174 ALA HA H 3.807 0.000 1 1638 195 174 ALA HB H 1.432 0.003 1 1639 195 174 ALA CA C 55.559 0.001 1 1640 195 174 ALA CB C 18.402 0.024 1 1641 195 174 ALA N N 120.862 0.024 1 1642 196 175 TYR H H 6.238 0.003 1 1643 196 175 TYR HA H 4.576 0.004 1 1644 196 175 TYR HB2 H 3.296 0.005 2 1645 196 175 TYR HB3 H 2.604 0.009 2 1646 196 175 TYR HD1 H 6.996 0.001 3 1647 196 175 TYR HD2 H 6.996 0.001 3 1648 196 175 TYR HE1 H 6.913 0.007 3 1649 196 175 TYR HE2 H 6.913 0.007 3 1650 196 175 TYR CA C 55.272 0.012 1 1651 196 175 TYR CB C 36.640 0.009 1 1652 196 175 TYR CD1 C 133.943 0.013 1 1653 196 175 TYR CE1 C 119.143 0.003 1 1654 196 175 TYR N N 105.220 0.009 1 1655 197 176 ALA H H 7.505 0.002 1 1656 197 176 ALA HA H 4.572 0.000 1 1657 197 176 ALA HB H 1.220 0.003 1 1658 197 176 ALA CA C 51.721 0.014 1 1659 197 176 ALA CB C 16.756 0.018 1 1660 197 176 ALA N N 128.906 0.015 1 1661 198 177 PRO HA H 4.244 0.000 1 1662 198 177 PRO HB2 H 2.106 0.000 2 1663 198 177 PRO HB3 H 1.691 0.000 2 1664 198 177 PRO HG2 H 1.054 0.000 2 1665 198 177 PRO HG3 H 1.351 0.007 2 1666 198 177 PRO HD2 H 3.560 0.000 2 1667 198 177 PRO HD3 H 3.365 0.000 2 1668 198 177 PRO CA C 64.367 0.006 1 1669 198 177 PRO CB C 31.033 0.058 1 1670 198 177 PRO CG C 28.031 0.058 1 1671 198 177 PRO CD C 49.239 0.025 1 1672 199 178 HIS H H 9.411 0.009 1 1673 199 178 HIS HA H 5.233 0.008 1 1674 199 178 HIS HB2 H 3.015 0.004 2 1675 199 178 HIS HB3 H 3.716 0.006 2 1676 199 178 HIS HD2 H 7.312 0.007 4 1677 199 178 HIS HE1 H 8.268 0.013 4 1678 199 178 HIS CA C 55.952 0.015 1 1679 199 178 HIS CB C 28.225 0.035 1 1680 199 178 HIS CD2 C 121.429 0.096 1 1681 199 178 HIS CE1 C 134.921 0.015 1 1682 199 178 HIS N N 117.047 0.016 1 1683 200 179 TRP H H 7.022 0.004 1 1684 200 179 TRP HA H 4.761 0.000 1 1685 200 179 TRP HB2 H 3.760 0.000 2 1686 200 179 TRP HB3 H 3.230 0.000 2 1687 200 179 TRP HD1 H 7.354 0.005 1 1688 200 179 TRP HE1 H 10.404 0.006 1 1689 200 179 TRP HE3 H 7.373 0.004 1 1690 200 179 TRP HZ2 H 7.525 0.010 1 1691 200 179 TRP HZ3 H 7.205 0.002 1 1692 200 179 TRP HH2 H 7.464 0.003 1 1693 200 179 TRP CA C 54.566 0.004 1 1694 200 179 TRP CB C 30.385 0.058 1 1695 200 179 TRP CD1 C 125.731 0.019 1 1696 200 179 TRP CE3 C 121.656 0.069 1 1697 200 179 TRP CZ2 C 114.353 0.025 1 1698 200 179 TRP CZ3 C 121.231 0.084 1 1699 200 179 TRP CH2 C 125.263 0.031 1 1700 200 179 TRP N N 119.802 0.009 1 1701 200 179 TRP NE1 N 129.581 0.010 1 1702 201 180 GLY H H 9.281 0.007 1 1703 201 180 GLY HA2 H 3.998 0.002 2 1704 201 180 GLY HA3 H 4.235 0.003 2 1705 201 180 GLY CA C 46.971 0.006 1 1706 201 180 GLY N N 108.591 0.009 1 1707 202 181 GLU H H 8.232 0.009 1 1708 202 181 GLU HA H 2.241 0.002 1 1709 202 181 GLU HB2 H 1.551 0.000 2 1710 202 181 GLU HB3 H 1.273 0.003 2 1711 202 181 GLU HG2 H 1.760 0.000 2 1712 202 181 GLU HG3 H 1.628 0.000 2 1713 202 181 GLU CA C 60.538 0.027 1 1714 202 181 GLU CB C 29.337 0.045 1 1715 202 181 GLU CG C 36.393 0.020 1 1716 202 181 GLU N N 123.722 0.046 1 1717 203 182 GLN H H 8.467 0.001 1 1718 203 182 GLN HA H 3.825 0.003 1 1719 203 182 GLN HB2 H 1.983 0.001 2 1720 203 182 GLN HB3 H 1.983 0.001 2 1721 203 182 GLN HG2 H 2.376 0.000 2 1722 203 182 GLN HG3 H 2.355 0.000 2 1723 203 182 GLN CA C 59.070 0.016 1 1724 203 182 GLN CB C 27.557 0.017 1 1725 203 182 GLN CG C 33.764 0.034 1 1726 203 182 GLN N N 116.245 0.015 1 1727 204 183 GLN H H 7.748 0.005 1 1728 204 183 GLN HA H 3.939 0.003 1 1729 204 183 GLN HB2 H 1.798 0.001 2 1730 204 183 GLN HB3 H 1.968 0.000 2 1731 204 183 GLN HG2 H 2.345 0.003 2 1732 204 183 GLN HG3 H 2.536 0.006 2 1733 204 183 GLN HE21 H 7.528 0.002 2 1734 204 183 GLN HE22 H 6.949 0.004 2 1735 204 183 GLN CA C 59.605 0.040 1 1736 204 183 GLN CB C 28.334 0.029 1 1737 204 183 GLN CG C 35.341 0.067 1 1738 204 183 GLN N N 119.648 0.023 1 1739 204 183 GLN NE2 N 111.753 0.012 1 1740 205 184 ALA H H 8.444 0.002 1 1741 205 184 ALA HA H 4.132 0.000 1 1742 205 184 ALA HB H 1.459 0.000 1 1743 205 184 ALA CA C 55.823 0.000 1 1744 205 184 ALA CB C 18.798 0.000 1 1745 205 184 ALA N N 125.719 0.011 1 1746 206 185 ARG H H 8.258 0.001 1 1747 206 185 ARG HA H 3.878 0.013 1 1748 206 185 ARG HB2 H 1.835 0.003 2 1749 206 185 ARG HB3 H 1.606 0.005 2 1750 206 185 ARG HD2 H 3.172 0.000 2 1751 206 185 ARG HD3 H 3.051 0.001 2 1752 206 185 ARG CA C 60.316 0.095 1 1753 206 185 ARG CB C 29.722 0.052 1 1754 206 185 ARG CD C 43.243 0.015 1 1755 206 185 ARG N N 118.599 0.017 1 1756 207 186 GLN H H 7.902 0.003 1 1757 207 186 GLN HA H 4.086 0.001 1 1758 207 186 GLN HB2 H 2.174 0.009 2 1759 207 186 GLN HB3 H 2.174 0.009 2 1760 207 186 GLN HG2 H 2.512 0.004 2 1761 207 186 GLN HG3 H 2.403 0.010 2 1762 207 186 GLN HE21 H 7.338 0.003 2 1763 207 186 GLN HE22 H 6.782 0.006 2 1764 207 186 GLN CA C 58.917 0.045 1 1765 207 186 GLN CB C 28.253 0.017 1 1766 207 186 GLN CG C 34.074 0.025 1 1767 207 186 GLN N N 119.691 0.013 1 1768 207 186 GLN NE2 N 111.201 0.031 1 1769 208 187 LEU H H 8.311 0.003 1 1770 208 187 LEU HA H 4.183 0.007 1 1771 208 187 LEU HB2 H 2.005 0.003 2 1772 208 187 LEU HB3 H 2.075 0.001 2 1773 208 187 LEU HG H 1.696 0.002 1 1774 208 187 LEU HD1 H 0.985 0.000 2 1775 208 187 LEU HD2 H 0.951 0.000 2 1776 208 187 LEU CA C 58.277 0.017 1 1777 208 187 LEU CB C 41.930 0.048 1 1778 208 187 LEU CG C 27.724 0.039 1 1779 208 187 LEU CD1 C 25.845 0.042 1 1780 208 187 LEU CD2 C 27.499 0.021 1 1781 208 187 LEU N N 122.565 0.025 1 1782 209 188 LEU H H 8.339 0.004 1 1783 209 188 LEU HA H 3.894 0.005 1 1784 209 188 LEU HB2 H 1.447 0.003 2 1785 209 188 LEU HB3 H 2.114 0.006 2 1786 209 188 LEU HG H 1.533 0.000 1 1787 209 188 LEU HD1 H 0.895 0.000 2 1788 209 188 LEU HD2 H 0.967 0.000 2 1789 209 188 LEU CA C 58.900 0.026 1 1790 209 188 LEU CB C 41.418 0.052 1 1791 209 188 LEU CG C 27.414 0.000 1 1792 209 188 LEU CD1 C 24.558 0.026 2 1793 209 188 LEU CD2 C 26.344 0.006 2 1794 209 188 LEU N N 120.512 0.017 1 1795 210 189 MET H H 7.480 0.003 1 1796 210 189 MET HA H 4.059 0.003 1 1797 210 189 MET HB2 H 2.746 0.003 2 1798 210 189 MET HB3 H 2.626 0.000 2 1799 210 189 MET HG2 H 2.223 0.000 2 1800 210 189 MET HG3 H 2.189 0.000 2 1801 210 189 MET CA C 58.836 0.049 1 1802 210 189 MET CB C 32.256 0.008 1 1803 210 189 MET CG C 32.072 0.027 1 1804 210 189 MET N N 115.857 0.029 1 1805 211 190 LEU H H 7.907 0.000 1 1806 211 190 LEU HA H 4.168 0.000 1 1807 211 190 LEU HB2 H 1.981 0.002 2 1808 211 190 LEU HB3 H 1.797 0.002 2 1809 211 190 LEU HG H 1.784 0.001 1 1810 211 190 LEU HD1 H 0.952 0.001 2 1811 211 190 LEU HD2 H 0.915 0.001 2 1812 211 190 LEU CA C 57.973 0.030 1 1813 211 190 LEU CB C 42.277 0.068 1 1814 211 190 LEU CG C 26.958 0.072 1 1815 211 190 LEU CD1 C 25.057 0.052 1 1816 211 190 LEU CD2 C 24.347 0.044 1 1817 211 190 LEU N N 120.717 0.000 1 1818 212 191 CYS H H 8.138 0.006 1 1819 212 191 CYS HA H 4.080 0.000 1 1820 212 191 CYS HB2 H 3.150 0.000 2 1821 212 191 CYS HB3 H 2.812 0.001 2 1822 212 191 CYS CA C 63.386 0.035 1 1823 212 191 CYS CB C 28.089 0.050 1 1824 212 191 CYS N N 115.710 0.025 1 1825 213 192 LYS H H 7.674 0.002 1 1826 213 192 LYS HA H 4.170 0.004 1 1827 213 192 LYS HB2 H 1.912 0.000 2 1828 213 192 LYS HB3 H 1.734 0.003 2 1829 213 192 LYS HG2 H 1.571 0.000 2 1830 213 192 LYS HG3 H 1.403 0.001 2 1831 213 192 LYS HD2 H 1.628 0.006 2 1832 213 192 LYS HD3 H 1.628 0.006 2 1833 213 192 LYS HE2 H 2.893 0.000 2 1834 213 192 LYS HE3 H 2.893 0.000 2 1835 213 192 LYS CA C 57.013 0.020 1 1836 213 192 LYS CB C 33.291 0.037 1 1837 213 192 LYS CG C 25.668 0.040 1 1838 213 192 LYS CD C 29.261 0.049 1 1839 213 192 LYS CE C 41.774 0.025 1 1840 213 192 LYS N N 117.560 0.017 1 1841 214 193 ALA H H 7.582 0.002 1 1842 214 193 ALA HA H 4.245 0.001 1 1843 214 193 ALA HB H 1.456 0.001 1 1844 214 193 ALA CA C 53.145 0.036 1 1845 214 193 ALA CB C 19.160 0.002 1 1846 214 193 ALA N N 123.416 0.012 1 1847 215 194 GLU H H 8.386 0.003 1 1848 215 194 GLU HA H 4.320 0.006 1 1849 215 194 GLU HB2 H 1.936 0.002 2 1850 215 194 GLU HB3 H 2.095 0.001 2 1851 215 194 GLU HG2 H 2.298 0.001 2 1852 215 194 GLU HG3 H 2.255 0.000 2 1853 215 194 GLU CA C 56.786 0.026 1 1854 215 194 GLU CB C 30.339 0.079 1 1855 215 194 GLU CG C 36.534 0.040 1 1856 215 194 GLU N N 120.190 0.009 1 1857 216 195 THR H H 7.994 0.003 1 1858 216 195 THR HA H 4.329 0.006 1 1859 216 195 THR HB H 4.218 0.000 1 1860 216 195 THR HG2 H 1.186 0.000 1 1861 216 195 THR CA C 61.821 0.100 1 1862 216 195 THR CB C 69.887 0.025 1 1863 216 195 THR CG2 C 21.741 0.029 1 1864 216 195 THR N N 114.452 0.015 1 1865 217 196 GLN HA H 4.348 0.001 1 1866 217 196 GLN HB2 H 1.980 0.001 2 1867 217 196 GLN HB3 H 2.100 0.001 2 1868 217 196 GLN HG2 H 2.340 0.003 2 1869 217 196 GLN HG3 H 2.340 0.003 2 1870 217 196 GLN HE21 H 6.782 0.005 2 1871 217 196 GLN HE22 H 7.482 0.000 2 1872 217 196 GLN CA C 55.946 0.012 1 1873 217 196 GLN CB C 29.635 0.023 1 1874 217 196 GLN CG C 33.887 0.004 1 1875 217 196 GLN NE2 N 112.339 0.050 1 1876 218 197 GLU H H 8.345 0.003 1 1877 218 197 GLU HA H 4.254 0.005 1 1878 218 197 GLU HB2 H 1.896 0.004 2 1879 218 197 GLU HB3 H 2.007 0.000 2 1880 218 197 GLU HG2 H 2.240 0.001 2 1881 218 197 GLU HG3 H 2.197 0.001 2 1882 218 197 GLU CA C 56.562 0.025 1 1883 218 197 GLU CB C 30.397 0.035 1 1884 218 197 GLU CG C 36.401 0.026 1 1885 218 197 GLU N N 122.357 0.010 1 1886 219 198 LEU HA H 4.334 0.001 1 1887 219 198 LEU HB2 H 1.624 0.003 2 1888 219 198 LEU HB3 H 1.562 0.000 2 1889 219 198 LEU HG H 1.570 0.000 1 1890 219 198 LEU HD1 H 0.887 0.000 2 1891 219 198 LEU HD2 H 0.829 0.000 2 1892 219 198 LEU CA C 55.193 0.015 1 1893 219 198 LEU CB C 42.463 0.028 1 1894 219 198 LEU CG C 27.141 0.035 1 1895 219 198 LEU CD1 C 24.986 0.020 1 1896 219 198 LEU CD2 C 23.732 0.026 1 1897 220 199 VAL H H 7.915 0.003 1 1898 220 199 VAL HA H 4.403 0.000 1 1899 220 199 VAL HB H 2.041 0.001 1 1900 220 199 VAL HG1 H 0.937 0.000 2 1901 220 199 VAL HG2 H 0.904 0.000 2 1902 220 199 VAL CA C 59.692 0.016 1 1903 220 199 VAL CB C 32.877 0.024 1 1904 220 199 VAL CG1 C 21.161 0.007 1 1905 220 199 VAL CG2 C 20.455 0.020 1 1906 220 199 VAL N N 122.500 0.002 1 1907 221 200 PRO HA H 4.377 0.000 1 1908 221 200 PRO HB2 H 1.926 0.000 2 1909 221 200 PRO HB3 H 2.239 0.000 2 1910 221 200 PRO HG2 H 2.030 0.000 2 1911 221 200 PRO HG3 H 1.930 0.000 2 1912 221 200 PRO HD2 H 3.821 0.000 2 1913 221 200 PRO HD3 H 3.657 0.001 2 1914 221 200 PRO CA C 63.486 0.013 1 1915 221 200 PRO CB C 32.063 0.014 1 1916 221 200 PRO CG C 27.463 0.031 1 1917 221 200 PRO CD C 51.152 0.028 1 1918 222 201 ARG H H 7.854 0.002 1 1919 222 201 ARG HA H 4.141 0.000 1 1920 222 201 ARG HB2 H 1.806 0.003 2 1921 222 201 ARG HB3 H 1.674 0.001 2 1922 222 201 ARG HG2 H 1.597 0.000 2 1923 222 201 ARG HG3 H 1.597 0.000 2 1924 222 201 ARG HD2 H 3.149 0.001 2 1925 222 201 ARG HD3 H 3.149 0.001 2 1926 222 201 ARG CA C 57.403 0.018 1 1927 222 201 ARG CB C 31.816 0.033 1 1928 222 201 ARG CG C 27.261 0.022 1 1929 222 201 ARG CD C 43.547 0.013 1 1930 222 201 ARG N N 126.928 0.006 1 stop_ save_