data_25001 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural insight into host recognition and biofilm formation by aggregative adherence fimbriae of enteroaggregative Esherichia coli ; _BMRB_accession_number 25001 _BMRB_flat_file_name bmr25001.str _Entry_type original _Submission_date 2014-06-04 _Accession_date 2014-06-04 _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 Matthews Stephen J. . 2 Yang Yi . . 3 Berry Andrea A. . 4 Pakharukova Nathalia . . 5 Garnett James A. . 6 Lee Wei-chao . . 7 Cota Ernesto . . 8 Liu Bing . . 9 Roy S. . . 10 Tuittila Minna . . 11 Marchant Jan . . 12 Inman Keith G. . 13 Ruiz-Perez Fernando . . 14 Mandomando Inacio . . 15 Nataro James P. . 16 Zavialov Anton V. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 747 "13C chemical shifts" 595 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-27 original author . stop_ _Original_release_date 2014-10-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25232738 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berry Andrea A. . 2 Yang Yi . . 3 Pakharukova Nathalia . . 4 Garnett James A. . 5 Lee Wei-chao . . 6 Cota Ernesto . . 7 Liu Bing . . 8 Marchant Jan . . 9 Roy S. . . 10 Tuittila Minna . . 11 Inman Keith G. . 12 Ruiz-Perez Fernando . . 13 Mandomando Inacio . . 14 Nataro James P. . 15 Zavialov Anton V. . 16 Matthews Stephen J. . stop_ _Journal_abbreviation 'PLoS Pathog.' _Journal_volume 10 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1004404 _Page_last e1004404 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'aggregative adherence fimbriae' _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 15556.729 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; NFCDITITPATNRDVNVDRS ANIDLSFTIRQPQRCADAGM RIKAWGEANHGQLLIKPQGG NKSAGFTLASPRFSYIPNNP ANIMNGFVLTNPGVYQLGMQ GSITPAIPLRPGLYEVVLNA ELVTNDNKQNATAVAKTATS TITVV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 ASN 2 14 PHE 3 15 CYS 4 16 ASP 5 17 ILE 6 18 THR 7 19 ILE 8 20 THR 9 21 PRO 10 22 ALA 11 23 THR 12 24 ASN 13 25 ARG 14 26 ASP 15 27 VAL 16 28 ASN 17 29 VAL 18 30 ASP 19 31 ARG 20 32 SER 21 33 ALA 22 34 ASN 23 35 ILE 24 36 ASP 25 37 LEU 26 38 SER 27 39 PHE 28 40 THR 29 41 ILE 30 42 ARG 31 43 GLN 32 44 PRO 33 45 GLN 34 46 ARG 35 47 CYS 36 48 ALA 37 49 ASP 38 50 ALA 39 51 GLY 40 52 MET 41 53 ARG 42 54 ILE 43 55 LYS 44 56 ALA 45 57 TRP 46 58 GLY 47 59 GLU 48 60 ALA 49 61 ASN 50 62 HIS 51 63 GLY 52 64 GLN 53 65 LEU 54 66 LEU 55 67 ILE 56 68 LYS 57 69 PRO 58 70 GLN 59 71 GLY 60 72 GLY 61 73 ASN 62 74 LYS 63 75 SER 64 76 ALA 65 77 GLY 66 78 PHE 67 79 THR 68 80 LEU 69 81 ALA 70 82 SER 71 83 PRO 72 84 ARG 73 85 PHE 74 86 SER 75 87 TYR 76 88 ILE 77 89 PRO 78 90 ASN 79 91 ASN 80 92 PRO 81 93 ALA 82 94 ASN 83 95 ILE 84 96 MET 85 97 ASN 86 98 GLY 87 99 PHE 88 100 VAL 89 101 LEU 90 102 THR 91 103 ASN 92 104 PRO 93 105 GLY 94 106 VAL 95 107 TYR 96 108 GLN 97 109 LEU 98 110 GLY 99 111 MET 100 112 GLN 101 113 GLY 102 114 SER 103 115 ILE 104 116 THR 105 117 PRO 106 118 ALA 107 119 ILE 108 120 PRO 109 121 LEU 110 122 ARG 111 123 PRO 112 124 GLY 113 125 LEU 114 126 TYR 115 127 GLU 116 128 VAL 117 129 VAL 118 130 LEU 119 131 ASN 120 132 ALA 121 133 GLU 122 134 LEU 123 135 VAL 124 136 THR 125 137 ASN 126 138 ASP 127 139 ASN 128 140 LYS 129 141 GLN 130 142 ASN 131 143 ALA 132 144 THR 133 145 ALA 134 146 VAL 135 147 ALA 136 148 LYS 137 149 THR 138 150 ALA 139 151 THR 140 152 SER 141 153 THR 142 154 ILE 143 155 THR 144 156 VAL 145 157 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 BMRB 16748 AafA-dsc 100.00 157 100.00 100.00 5.14e-101 PDB 2MPV "Structural Insight Into Host Recognition And Biofilm Formation By Aggregative Adherence Fimbriae Of Enteroaggregative Esherichi" 100.00 145 100.00 100.00 9.17e-101 GB AAB82330 "major fimbrial subunit of aggregative adherence fimbria II AafA [Escherichia coli 042]" 86.21 160 100.00 100.00 1.31e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pQE-30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium acetate' 50 mM 'natural abundance' $entity 200 uM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 5 . pH pressure 1 . atm 'ionic strength' 50 . mM 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 N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 water H 1 protons ppm 4.8 internal direct . . . 1.000000000 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' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D H(CCO)NH' 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 13 1 ASN H H 8.524 . . 2 13 1 ASN HA H 4.729 . . 3 13 1 ASN HB2 H 2.736 . . 4 13 1 ASN HB3 H 2.736 . . 5 13 1 ASN C C 174.663 . . 6 13 1 ASN CA C 53.031 . . 7 13 1 ASN CB C 39.003 . . 8 13 1 ASN N N 120.741 . . 9 14 2 PHE H H 8.075 . . 10 14 2 PHE HA H 4.519 . . 11 14 2 PHE HB2 H 3.065 . . 12 14 2 PHE HB3 H 3.055 . . 13 14 2 PHE HD1 H 7.15 . . 14 14 2 PHE HD2 H 7.147 . . 15 14 2 PHE HE1 H 6.749 . . 16 14 2 PHE HE2 H 6.749 . . 17 14 2 PHE C C 175.678 . . 18 14 2 PHE CA C 58.179 . . 19 14 2 PHE CB C 39.213 . . 20 14 2 PHE CD1 C 132 . . 21 14 2 PHE CD2 C 132 . . 22 14 2 PHE CE1 C 132.84 . . 23 14 2 PHE CE2 C 132.84 . . 24 14 2 PHE N N 120.323 . . 25 15 3 CYS H H 8.311 . . 26 15 3 CYS HA H 4.575 . . 27 15 3 CYS HB2 H 2.768 . . 28 15 3 CYS HB3 H 2.878 . . 29 15 3 CYS C C 171.470 . . 30 15 3 CYS CA C 56.314 . . 31 15 3 CYS CB C 44.599 . . 32 15 3 CYS N N 121.434 . . 33 16 4 ASP H H 7.538 . . 34 16 4 ASP HA H 4.792 . . 35 16 4 ASP HB2 H 2.58 . . 36 16 4 ASP HB3 H 2.588 . . 37 16 4 ASP C C 174.529 . . 38 16 4 ASP CA C 52.396 . . 39 16 4 ASP CB C 43.7 . . 40 16 4 ASP N N 120.954 . . 41 17 5 ILE H H 8.582 . . 42 17 5 ILE HA H 5.132 . . 43 17 5 ILE HB H 1.517 . . 44 17 5 ILE HG12 H 1.419 . . 45 17 5 ILE HG13 H 1.419 . . 46 17 5 ILE HG2 H 0.783 . . 47 17 5 ILE HD1 H 0.642 . . 48 17 5 ILE C C 175.275 . . 49 17 5 ILE CA C 58.487 . . 50 17 5 ILE CB C 41.825 . . 51 17 5 ILE CG1 C 27.035 . . 52 17 5 ILE CG2 C 19.414 . . 53 17 5 ILE CD1 C 15.031 . . 54 17 5 ILE N N 114.7 . . 55 18 6 THR H H 8.744 . . 56 18 6 THR HA H 4.554 . . 57 18 6 THR HB H 3.898 . . 58 18 6 THR HG2 H 1.145 . . 59 18 6 THR C C 174.126 . . 60 18 6 THR CA C 61.537 . . 61 18 6 THR CB C 71.237 . . 62 18 6 THR CG2 C 21.838 . . 63 18 6 THR N N 116.491 . . 64 19 7 ILE H H 9.207 . . 65 19 7 ILE HA H 4.858 . . 66 19 7 ILE HB H 1.703 . . 67 19 7 ILE HG12 H 1.45 . . 68 19 7 ILE HG13 H 1.411 . . 69 19 7 ILE HG2 H 0.766 . . 70 19 7 ILE HD1 H 0.633 . . 71 19 7 ILE C C 175.335 . . 72 19 7 ILE CA C 60.119 . . 73 19 7 ILE CB C 40.644 . . 74 19 7 ILE CG1 C 27.035 . . 75 19 7 ILE CG2 C 18.235 . . 76 19 7 ILE CD1 C 14.515 . . 77 19 7 ILE N N 126.731 . . 78 20 8 THR H H 9.639 . . 79 20 8 THR HA H 4.839 . . 80 20 8 THR HB H 4.056 . . 81 20 8 THR HG2 H 1.24 . . 82 20 8 THR C C 173.037 . . 83 20 8 THR CA C 59.718 . . 84 20 8 THR CB C 69.745 . . 85 20 8 THR CG2 C 20.7 . . 86 20 8 THR N N 126.547 . . 87 21 9 PRO HA H 4.024 . . 88 21 9 PRO HB2 H 1.817 . . 89 21 9 PRO HB3 H 2.525 . . 90 21 9 PRO HG2 H 1.906 . . 91 21 9 PRO HG3 H 1.906 . . 92 21 9 PRO HD2 H 3.65 . . 93 21 9 PRO HD3 H 3.72 . . 94 21 9 PRO CA C 65.2 . . 95 21 9 PRO CB C 32.1 . . 96 21 9 PRO CG C 27.85 . . 97 21 9 PRO CD C 51.442 . . 98 22 10 ALA HA H 4.108 . . 99 22 10 ALA HB H 0.829 . . 100 22 10 ALA C C 178.125 . . 101 22 10 ALA CA C 51.762 . . 102 22 10 ALA CB C 19.080 . . 103 23 11 THR H H 8.134 . . 104 23 11 THR HA H 3.92 . . 105 23 11 THR HB H 3.985 . . 106 23 11 THR HG2 H 1.350 . . 107 23 11 THR C C 173.858 . . 108 23 11 THR CA C 63.552 . . 109 23 11 THR CB C 69.447 . . 110 23 11 THR CG2 C 22.247 . . 111 23 11 THR N N 118.780 . . 112 24 12 ASN H H 8.498 . . 113 24 12 ASN HA H 4.762 . . 114 24 12 ASN HB2 H 2.794 . . 115 24 12 ASN HB3 H 2.926 . . 116 24 12 ASN C C 175.469 . . 117 24 12 ASN CA C 54.001 . . 118 24 12 ASN CB C 38.107 . . 119 24 12 ASN N N 125.639 . . 120 25 13 ARG H H 7.528 . . 121 25 13 ARG HA H 4.809 . . 122 25 13 ARG HB2 H 1.802 . . 123 25 13 ARG HB3 H 1.807 . . 124 25 13 ARG HG2 H 1.395 . . 125 25 13 ARG HG3 H 1.544 . . 126 25 13 ARG HD2 H 3.006 . . 127 25 13 ARG HD3 H 3.006 . . 128 25 13 ARG C C 173.678 . . 129 25 13 ARG CA C 54.896 . . 130 25 13 ARG CB C 33.182 . . 131 25 13 ARG CG C 25.039 . . 132 25 13 ARG CD C 42.369 . . 133 25 13 ARG N N 116.575 . . 134 26 14 ASP H H 8.368 . . 135 26 14 ASP HA H 4.804 . . 136 26 14 ASP HB2 H 2.52 . . 137 26 14 ASP HB3 H 2.61 . . 138 26 14 ASP C C 176.379 . . 139 26 14 ASP CA C 52.803 . . 140 26 14 ASP CB C 41.008 . . 141 26 14 ASP N N 120.890 . . 142 27 15 VAL H H 8.36 . . 143 27 15 VAL HA H 3.364 . . 144 27 15 VAL HB H 1.931 . . 145 27 15 VAL HG1 H 0.956 . . 146 27 15 VAL HG2 H 0.436 . . 147 27 15 VAL C C 173.280 . . 148 27 15 VAL CA C 66.033 . . 149 27 15 VAL CB C 32.116 . . 150 27 15 VAL CG1 C 22.499 . . 151 27 15 VAL CG2 C 21.138 . . 152 27 15 VAL N N 119.764 . . 153 28 16 ASN H H 8.260 . . 154 28 16 ASN HA H 5.764 . . 155 28 16 ASN HB2 H 2.5 . . 156 28 16 ASN HB3 H 2.5 . . 157 28 16 ASN C C 176.179 . . 158 28 16 ASN CA C 52.732 . . 159 28 16 ASN CB C 41.462 . . 160 28 16 ASN N N 120.599 . . 161 29 17 VAL H H 9.312 . . 162 29 17 VAL HA H 4.45 . . 163 29 17 VAL HB H 1.931 . . 164 29 17 VAL HG1 H 0.653 . . 165 29 17 VAL HG2 H 0.763 . . 166 29 17 VAL C C 173.276 . . 167 29 17 VAL CA C 59.448 . . 168 29 17 VAL CB C 35.383 . . 169 29 17 VAL CG1 C 21.5 . . 170 29 17 VAL CG2 C 21.8 . . 171 29 17 VAL N N 118.383 . . 172 30 18 ASP H H 8.168 . . 173 30 18 ASP HA H 4.789 . . 174 30 18 ASP HB2 H 2.533 . . 175 30 18 ASP HB3 H 2.617 . . 176 30 18 ASP C C 174.275 . . 177 30 18 ASP CA C 53.105 . . 178 30 18 ASP CB C 40.495 . . 179 30 18 ASP N N 119.27 . . 180 31 19 ARG H H 8.227 . . 181 31 19 ARG HA H 4.6 . . 182 31 19 ARG HB2 H 1.826 . . 183 31 19 ARG HB3 H 1.826 . . 184 31 19 ARG HG2 H 1.492 . . 185 31 19 ARG HG3 H 1.492 . . 186 31 19 ARG HD2 H 3.016 . . 187 31 19 ARG HD3 H 3.016 . . 188 31 19 ARG C C 175.419 . . 189 31 19 ARG CA C 55.290 . . 190 31 19 ARG CB C 32.421 . . 191 31 19 ARG CG C 24.858 . . 192 31 19 ARG CD C 42.097 . . 193 31 19 ARG N N 122.114 . . 194 32 20 SER H H 8.676 . . 195 32 20 SER HA H 4.58 . . 196 32 20 SER HB2 H 3.782 . . 197 32 20 SER HB3 H 3.934 . . 198 32 20 SER C C 173.126 . . 199 32 20 SER CA C 57.806 . . 200 32 20 SER CB C 64.596 . . 201 32 20 SER N N 113.02 . . 202 33 21 ALA H H 7.509 . . 203 33 21 ALA HA H 4.641 . . 204 33 21 ALA HB H 1.388 . . 205 33 21 ALA C C 176.782 . . 206 33 21 ALA CA C 50.643 . . 207 33 21 ALA CB C 22.363 . . 208 33 21 ALA N N 123.281 . . 209 34 22 ASN H H 8.839 . . 210 34 22 ASN HA H 4.701 . . 211 34 22 ASN HB2 H 2.770 . . 212 34 22 ASN HB3 H 2.85 . . 213 34 22 ASN C C 175.051 . . 214 34 22 ASN CA C 53.255 . . 215 34 22 ASN CB C 38.779 . . 216 34 22 ASN N N 120.485 . . 217 35 23 ILE H H 8.164 . . 218 35 23 ILE HA H 4.272 . . 219 35 23 ILE HB H 1.752 . . 220 35 23 ILE HG12 H 1.380 . . 221 35 23 ILE HG13 H 1.380 . . 222 35 23 ILE HG2 H 0.761 . . 223 35 23 ILE HD1 H 0.717 . . 224 35 23 ILE C C 174.499 . . 225 35 23 ILE CA C 59.299 . . 226 35 23 ILE CB C 39.823 . . 227 35 23 ILE CG1 C 26.854 . . 228 35 23 ILE CG2 C 17.304 . . 229 35 23 ILE CD1 C 13.154 . . 230 35 23 ILE N N 120.581 . . 231 36 24 ASP H H 8.930 . . 232 36 24 ASP HA H 4.969 . . 233 36 24 ASP HB2 H 2.194 . . 234 36 24 ASP HB3 H 2.494 . . 235 36 24 ASP C C 174.753 . . 236 36 24 ASP CA C 54.150 . . 237 36 24 ASP CB C 41.838 . . 238 36 24 ASP N N 128.913 . . 239 37 25 LEU H H 8.898 . . 240 37 25 LEU HA H 4.58 . . 241 37 25 LEU HB2 H 1.135 . . 242 37 25 LEU HB3 H 1.816 . . 243 37 25 LEU HG H 1.56 . . 244 37 25 LEU HD1 H 0.730 . . 245 37 25 LEU HD2 H 0.730 . . 246 37 25 LEU C C 174.544 . . 247 37 25 LEU CA C 53.852 . . 248 37 25 LEU CB C 43.554 . . 249 37 25 LEU CG C 26.763 . . 250 37 25 LEU CD1 C 24.132 . . 251 37 25 LEU CD2 C 24.132 . . 252 37 25 LEU N N 123.662 . . 253 38 26 SER H H 8.243 . . 254 38 26 SER HA H 5.128 . . 255 38 26 SER HB2 H 3.581 . . 256 38 26 SER HB3 H 3.675 . . 257 38 26 SER C C 172.873 . . 258 38 26 SER CA C 57.060 . . 259 38 26 SER CB C 64.522 . . 260 38 26 SER N N 116.813 . . 261 39 27 PHE H H 9.087 . . 262 39 27 PHE HA H 4.868 . . 263 39 27 PHE HB2 H 2.512 . . 264 39 27 PHE HB3 H 3.019 . . 265 39 27 PHE HD1 H 7.05 . . 266 39 27 PHE HD2 H 7.05 . . 267 39 27 PHE HE1 H 7.262 . . 268 39 27 PHE HE2 H 7.260 . . 269 39 27 PHE C C 175.932 . . 270 39 27 PHE CA C 56.130 . . 271 39 27 PHE CB C 43.480 . . 272 39 27 PHE CD1 C 132.291 . . 273 39 27 PHE CD2 C 132.291 . . 274 39 27 PHE N N 124.134 . . 275 40 28 THR H H 8.319 . . 276 40 28 THR HA H 5.193 . . 277 40 28 THR HB H 3.819 . . 278 40 28 THR HG2 H 1.076 . . 279 40 28 THR C C 172.709 . . 280 40 28 THR CA C 61.836 . . 281 40 28 THR CB C 71.014 . . 282 40 28 THR CG2 C 21.955 . . 283 40 28 THR N N 115.776 . . 284 41 29 ILE H H 9.793 . . 285 41 29 ILE HA H 4.913 . . 286 41 29 ILE HB H 1.793 . . 287 41 29 ILE HG12 H 1.428 . . 288 41 29 ILE HG13 H 1.431 . . 289 41 29 ILE HG2 H 0.806 . . 290 41 29 ILE HD1 H 0.817 . . 291 41 29 ILE C C 173.887 . . 292 41 29 ILE CA C 61.313 . . 293 41 29 ILE CB C 41.258 . . 294 41 29 ILE CG1 C 29.394 . . 295 41 29 ILE CG2 C 21.138 . . 296 41 29 ILE CD1 C 16.874 . . 297 41 29 ILE N N 127.930 . . 298 42 30 ARG H H 8.702 . . 299 42 30 ARG HA H 5.65 . . 300 42 30 ARG HB2 H 1.880 . . 301 42 30 ARG HB3 H 1.878 . . 302 42 30 ARG HG2 H 1.664 . . 303 42 30 ARG HG3 H 1.664 . . 304 42 30 ARG HD2 H 3.293 . . 305 42 30 ARG HD3 H 3.293 . . 306 42 30 ARG C C 174.544 . . 307 42 30 ARG CA C 54.618 . . 308 42 30 ARG CB C 35.496 . . 309 42 30 ARG CG C 28.036 . . 310 42 30 ARG CD C 43.496 . . 311 42 30 ARG N N 125.168 . . 312 43 31 GLN H H 9.121 . . 313 43 31 GLN HA H 5.53 . . 314 43 31 GLN HB2 H 1.62 . . 315 43 31 GLN HB3 H 2.49 . . 316 43 31 GLN HG2 H 3.69 . . 317 43 31 GLN HG3 H 4.44 . . 318 43 31 GLN C C 172.768 . . 319 43 31 GLN CA C 52.6 . . 320 43 31 GLN CB C 30.8 . . 321 43 31 GLN CG C 51.08 . . 322 43 31 GLN N N 120.385 . . 323 44 32 PRO HA H 4.492 . . 324 44 32 PRO HB2 H 1.667 . . 325 44 32 PRO HB3 H 2.6 . . 326 44 32 PRO HG2 H 2.112 . . 327 44 32 PRO HG3 H 2.106 . . 328 44 32 PRO HD2 H 3.442 . . 329 44 32 PRO HD3 H 3.438 . . 330 44 32 PRO C C 178.931 . . 331 44 32 PRO CA C 62.806 . . 332 44 32 PRO CB C 32.959 . . 333 44 32 PRO CG C 28.759 . . 334 44 32 PRO CD C 51.136 . . 335 45 33 GLN H H 9.078 . . 336 45 33 GLN HA H 3.487 . . 337 45 33 GLN HB2 H 1.350 . . 338 45 33 GLN HB3 H 1.784 . . 339 45 33 GLN HG2 H 1.958 . . 340 45 33 GLN HG3 H 1.957 . . 341 45 33 GLN C C 177.797 . . 342 45 33 GLN CA C 60.567 . . 343 45 33 GLN CB C 27.362 . . 344 45 33 GLN CG C 33.477 . . 345 45 33 GLN N N 128.711 . . 346 46 34 ARG H H 8.771 . . 347 46 34 ARG HA H 4.213 . . 348 46 34 ARG HB2 H 1.766 . . 349 46 34 ARG HB3 H 1.879 . . 350 46 34 ARG HG2 H 1.599 . . 351 46 34 ARG HG3 H 1.665 . . 352 46 34 ARG HD2 H 3.163 . . 353 46 34 ARG HD3 H 3.163 . . 354 46 34 ARG C C 178.617 . . 355 46 34 ARG CA C 58.552 . . 356 46 34 ARG CB C 29.079 . . 357 46 34 ARG CG C 27.035 . . 358 46 34 ARG CD C 43.004 . . 359 46 34 ARG N N 115.034 . . 360 47 35 CYS H H 7.236 . . 361 47 35 CYS HA H 4.271 . . 362 47 35 CYS HB2 H 3.150 . . 363 47 35 CYS HB3 H 3.540 . . 364 47 35 CYS C C 176.096 . . 365 47 35 CYS CA C 59.97 . . 366 47 35 CYS CB C 42.883 . . 367 47 35 CYS N N 120.327 . . 368 48 36 ALA H H 7.274 . . 369 48 36 ALA HA H 4.573 . . 370 48 36 ALA HB H 1.421 . . 371 48 36 ALA CA C 54.523 . . 372 48 36 ALA CB C 18.781 . . 373 48 36 ALA N N 125.742 . . 374 49 37 ASP H H 8.808 . . 375 49 37 ASP HA H 4.466 . . 376 49 37 ASP HB2 H 2.648 . . 377 49 37 ASP HB3 H 2.712 . . 378 49 37 ASP C C 176.663 . . 379 49 37 ASP CA C 57.209 . . 380 49 37 ASP CB C 40.047 . . 381 49 37 ASP N N 121.245 . . 382 50 38 ALA H H 7.148 . . 383 50 38 ALA HA H 4.463 . . 384 50 38 ALA HB H 1.595 . . 385 50 38 ALA C C 177.364 . . 386 50 38 ALA CA C 52.285 . . 387 50 38 ALA CB C 18.707 . . 388 50 38 ALA N N 120.459 . . 389 51 39 GLY H H 7.73 . . 390 51 39 GLY HA2 H 3.809 . . 391 51 39 GLY HA3 H 3.806 . . 392 51 39 GLY C C 174.335 . . 393 51 39 GLY CA C 45.444 . . 394 51 39 GLY N N 105.526 . . 395 52 40 MET H H 7.768 . . 396 52 40 MET HA H 4.740 . . 397 52 40 MET HB2 H 1.756 . . 398 52 40 MET HB3 H 1.76 . . 399 52 40 MET HG2 H 2.516 . . 400 52 40 MET HG3 H 2.64 . . 401 52 40 MET C C 176.722 . . 402 52 40 MET CA C 55.888 . . 403 52 40 MET CB C 30.937 . . 404 52 40 MET CG C 33.750 . . 405 52 40 MET N N 117.800 . . 406 53 41 ARG H H 8.971 . . 407 53 41 ARG HA H 5.128 . . 408 53 41 ARG HB2 H 1.314 . . 409 53 41 ARG HB3 H 2.035 . . 410 53 41 ARG HG2 H 1.358 . . 411 53 41 ARG HG3 H 1.726 . . 412 53 41 ARG HD2 H 3.304 . . 413 53 41 ARG HD3 H 3.304 . . 414 53 41 ARG C C 174.290 . . 415 53 41 ARG CA C 53.926 . . 416 53 41 ARG CB C 34.600 . . 417 53 41 ARG CG C 26.037 . . 418 53 41 ARG CD C 44.637 . . 419 53 41 ARG N N 123.495 . . 420 54 42 ILE H H 7.816 . . 421 54 42 ILE HA H 4.236 . . 422 54 42 ILE HB H 1.947 . . 423 54 42 ILE HG12 H 1.647 . . 424 54 42 ILE HG13 H 1.644 . . 425 54 42 ILE HG2 H 0.794 . . 426 54 42 ILE HD1 H 0.722 . . 427 54 42 ILE C C 173.529 . . 428 54 42 ILE CA C 61.985 . . 429 54 42 ILE CB C 39.376 . . 430 54 42 ILE CG1 C 27.943 . . 431 54 42 ILE CG2 C 18.688 . . 432 54 42 ILE CD1 C 13.970 . . 433 54 42 ILE N N 120.089 . . 434 55 43 LYS H H 8.925 . . 435 55 43 LYS HA H 5.848 . . 436 55 43 LYS HB2 H 1.502 . . 437 55 43 LYS HB3 H 1.895 . . 438 55 43 LYS HG2 H 1.174 . . 439 55 43 LYS HG3 H 1.174 . . 440 55 43 LYS C C 175.230 . . 441 55 43 LYS CA C 53.941 . . 442 55 43 LYS CB C 36.744 . . 443 55 43 LYS CG C 25.65 . . 444 55 43 LYS CD C 29.66 . . 445 55 43 LYS CE C 40.522 . . 446 55 43 LYS N N 129.721 . . 447 56 44 ALA H H 9.427 . . 448 56 44 ALA HA H 5.68 . . 449 56 44 ALA HB H 1.31 . . 450 56 44 ALA C C 176.290 . . 451 56 44 ALA CA C 51.464 . . 452 56 44 ALA CB C 24.303 . . 453 56 44 ALA N N 127.230 . . 454 57 45 TRP H H 8.951 . . 455 57 45 TRP HA H 5.09 . . 456 57 45 TRP HB2 H 3.5 . . 457 57 45 TRP HB3 H 4.013 . . 458 57 45 TRP HD1 H 7.114 . . 459 57 45 TRP HE3 H 7.098 . . 460 57 45 TRP HZ2 H 7.32 . . 461 57 45 TRP HZ3 H 6.627 . . 462 57 45 TRP HH2 H 6.984 . . 463 57 45 TRP C C 174.335 . . 464 57 45 TRP CA C 58.702 . . 465 57 45 TRP CB C 32.735 . . 466 57 45 TRP CD1 C 128.46 . . 467 57 45 TRP CE3 C 122 . . 468 57 45 TRP CZ2 C 114.2 . . 469 57 45 TRP CZ3 C 120.8 . . 470 57 45 TRP CH2 C 124 . . 471 57 45 TRP N N 118.013 . . 472 57 45 TRP NE1 N 130.229 . . 473 58 46 GLY H H 8.668 . . 474 58 46 GLY HA2 H 3.459 . . 475 58 46 GLY HA3 H 4.64 . . 476 58 46 GLY C C 174.231 . . 477 58 46 GLY CA C 43.041 . . 478 58 46 GLY N N 110.377 . . 479 59 47 GLU H H 8.916 . . 480 59 47 GLU HA H 4.41 . . 481 59 47 GLU HB2 H 2.01 . . 482 59 47 GLU HB3 H 2.263 . . 483 59 47 GLU HG2 H 2.422 . . 484 59 47 GLU HG3 H 2.426 . . 485 59 47 GLU C C 176.394 . . 486 59 47 GLU CA C 57.433 . . 487 59 47 GLU CB C 32.287 . . 488 59 47 GLU CG C 37.748 . . 489 59 47 GLU N N 113.893 . . 490 60 48 ALA H H 8.492 . . 491 60 48 ALA HA H 4.475 . . 492 60 48 ALA HB H 1.409 . . 493 60 48 ALA C C 177.707 . . 494 60 48 ALA CA C 51.016 . . 495 60 48 ALA CB C 21.468 . . 496 60 48 ALA N N 120.527 . . 497 61 49 ASN H H 8.609 . . 498 61 49 ASN HA H 4.427 . . 499 61 49 ASN HB2 H 2.458 . . 500 61 49 ASN HB3 H 2.681 . . 501 61 49 ASN C C 176.976 . . 502 61 49 ASN CA C 55.195 . . 503 61 49 ASN CB C 37.883 . . 504 61 49 ASN N N 118.314 . . 505 62 50 HIS H H 8.754 . . 506 62 50 HIS HA H 5.1 . . 507 62 50 HIS HB2 H 3.5 . . 508 62 50 HIS HB3 H 3.5 . . 509 62 50 HIS HD2 H 7.15 . . 510 62 50 HIS C C 174.126 . . 511 62 50 HIS CA C 55.642 . . 512 62 50 HIS CB C 27.512 . . 513 62 50 HIS CD2 C 120.26 . . 514 62 50 HIS N N 116.081 . . 515 63 51 GLY H H 8.160 . . 516 63 51 GLY HA2 H 3.898 . . 517 63 51 GLY HA3 H 3.956 . . 518 63 51 GLY C C 175.260 . . 519 63 51 GLY CA C 46.464 . . 520 63 51 GLY N N 105.597 . . 521 64 52 GLN HA H 4.3 . . 522 64 52 GLN HB2 H 1.941 . . 523 64 52 GLN HB3 H 2.521 . . 524 64 52 GLN HG2 H 2.526 . . 525 64 52 GLN HG3 H 2.531 . . 526 64 52 GLN CA C 55.94 . . 527 64 52 GLN CB C 29.377 . . 528 64 52 GLN CG C 35.020 . . 529 65 53 LEU H H 8.549 . . 530 65 53 LEU HA H 4.302 . . 531 65 53 LEU HB2 H 1.059 . . 532 65 53 LEU HB3 H 1.059 . . 533 65 53 LEU HD1 H 0.414 . . 534 65 53 LEU HD2 H 0.66 . . 535 65 53 LEU C C 176.096 . . 536 65 53 LEU CA C 55.797 . . 537 65 53 LEU CB C 43.6 . . 538 65 53 LEU CD1 C 22.4 . . 539 65 53 LEU CD2 C 25.3 . . 540 65 53 LEU N N 117.719 . . 541 66 54 LEU H H 8.67 . . 542 66 54 LEU HA H 4.904 . . 543 66 54 LEU HB2 H 1.511 . . 544 66 54 LEU HB3 H 1.66 . . 545 66 54 LEU HG H 1.371 . . 546 66 54 LEU HD1 H 0.749 . . 547 66 54 LEU HD2 H 0.749 . . 548 66 54 LEU C C 174.738 . . 549 66 54 LEU CA C 53.662 . . 550 66 54 LEU CB C 48.176 . . 551 66 54 LEU CG C 27.943 . . 552 66 54 LEU CD1 C 26.219 . . 553 66 54 LEU CD2 C 25.856 . . 554 66 54 LEU N N 125.27 . . 555 67 55 ILE H H 9.317 . . 556 67 55 ILE HA H 5.402 . . 557 67 55 ILE HB H 1.47 . . 558 67 55 ILE HG12 H 1.047 . . 559 67 55 ILE HG13 H 1.622 . . 560 67 55 ILE HG2 H 1.206 . . 561 67 55 ILE HD1 H 0.62 . . 562 67 55 ILE C C 172.977 . . 563 67 55 ILE CA C 58.313 . . 564 67 55 ILE CB C 41.723 . . 565 67 55 ILE CG1 C 30.66 . . 566 67 55 ILE CG2 C 16.47 . . 567 67 55 ILE CD1 C 14.78 . . 568 67 55 ILE N N 125.725 . . 569 68 56 LYS H H 9.278 . . 570 68 56 LYS HA H 5.287 . . 571 68 56 LYS HB2 H 1.5 . . 572 68 56 LYS HB3 H 1.697 . . 573 68 56 LYS HG2 H 1.307 . . 574 68 56 LYS HG3 H 1.47 . . 575 68 56 LYS HD2 H 1.227 . . 576 68 56 LYS HD3 H 1.399 . . 577 68 56 LYS C C 171.739 . . 578 68 56 LYS CA C 52.882 . . 579 68 56 LYS CB C 34.899 . . 580 68 56 LYS CG C 23.225 . . 581 68 56 LYS CD C 29.59 . . 582 68 56 LYS CE C 42.67 . . 583 68 56 LYS N N 126.51 . . 584 69 57 PRO HA H 3.866 . . 585 69 57 PRO HB2 H 1.641 . . 586 69 57 PRO HB3 H 2.137 . . 587 69 57 PRO HG2 H 1.994 . . 588 69 57 PRO HG3 H 2.099 . . 589 69 57 PRO HD2 H 3.391 . . 590 69 57 PRO HD3 H 3.397 . . 591 69 57 PRO C C 176.558 . . 592 69 57 PRO CA C 63.179 . . 593 69 57 PRO CB C 31.765 . . 594 69 57 PRO CG C 28.174 . . 595 69 57 PRO CD C 50.898 . . 596 70 58 GLN H H 8.331 . . 597 70 58 GLN HA H 3.817 . . 598 70 58 GLN HB2 H 1.392 . . 599 70 58 GLN HB3 H 1.906 . . 600 70 58 GLN HG2 H 2.033 . . 601 70 58 GLN HG3 H 2.206 . . 602 70 58 GLN C C 177.230 . . 603 70 58 GLN CA C 57.881 . . 604 70 58 GLN CB C 29.452 . . 605 70 58 GLN CG C 33.96 . . 606 70 58 GLN N N 124.461 . . 607 71 59 GLY H H 9.153 . . 608 71 59 GLY HA2 H 3.759 . . 609 71 59 GLY HA3 H 4.06 . . 610 71 59 GLY C C 174.648 . . 611 71 59 GLY CA C 45.494 . . 612 71 59 GLY N N 116.702 . . 613 72 60 GLY H H 8.292 . . 614 72 60 GLY HA2 H 3.373 . . 615 72 60 GLY HA3 H 4.339 . . 616 72 60 GLY C C 172.724 . . 617 72 60 GLY CA C 44.300 . . 618 72 60 GLY N N 107.864 . . 619 73 61 ASN H H 8.433 . . 620 73 61 ASN HA H 4.798 . . 621 73 61 ASN HB2 H 2.781 . . 622 73 61 ASN HB3 H 2.784 . . 623 73 61 ASN C C 176.618 . . 624 73 61 ASN CA C 52.732 . . 625 73 61 ASN CB C 40.197 . . 626 73 61 ASN N N 117.884 . . 627 74 62 LYS H H 8.770 . . 628 74 62 LYS HA H 3.773 . . 629 74 62 LYS HB2 H 1.751 . . 630 74 62 LYS HB3 H 1.754 . . 631 74 62 LYS HG2 H 1.443 . . 632 74 62 LYS HG3 H 1.443 . . 633 74 62 LYS HD2 H 1.441 . . 634 74 62 LYS HD3 H 1.436 . . 635 74 62 LYS C C 178.364 . . 636 74 62 LYS CA C 59.522 . . 637 74 62 LYS CB C 31.989 . . 638 74 62 LYS CG C 24.307 . . 639 74 62 LYS CD C 29.582 . . 640 74 62 LYS CE C 41.950 . . 641 74 62 LYS N N 122.688 . . 642 75 63 SER H H 8.552 . . 643 75 63 SER HA H 4.172 . . 644 75 63 SER HB2 H 3.907 . . 645 75 63 SER HB3 H 3.909 . . 646 75 63 SER C C 174.514 . . 647 75 63 SER CA C 59.941 . . 648 75 63 SER CB C 62.344 . . 649 75 63 SER N N 115.905 . . 650 76 64 ALA H H 7.605 . . 651 76 64 ALA HA H 4.454 . . 652 76 64 ALA HB H 1.462 . . 653 76 64 ALA C C 176.275 . . 654 76 64 ALA CA C 51.538 . . 655 76 64 ALA CB C 19.527 . . 656 76 64 ALA N N 124.019 . . 657 77 65 GLY H H 7.457 . . 658 77 65 GLY HA2 H 3.575 . . 659 77 65 GLY HA3 H 4.6 . . 660 77 65 GLY C C 172.306 . . 661 77 65 GLY CA C 44.077 . . 662 77 65 GLY N N 103.994 . . 663 78 66 PHE H H 8.845 . . 664 78 66 PHE HA H 4.975 . . 665 78 66 PHE HB2 H 2.556 . . 666 78 66 PHE HB3 H 3.235 . . 667 78 66 PHE HD1 H 7.157 . . 668 78 66 PHE HD2 H 7.157 . . 669 78 66 PHE HE1 H 7.325 . . 670 78 66 PHE HE2 H 7.325 . . 671 78 66 PHE C C 175.275 . . 672 78 66 PHE CA C 56.389 . . 673 78 66 PHE CB C 42.360 . . 674 78 66 PHE CD1 C 132.29 . . 675 78 66 PHE CD2 C 132.29 . . 676 78 66 PHE CE1 C 131.2 . . 677 78 66 PHE CE2 C 131.2 . . 678 78 66 PHE N N 115.504 . . 679 79 67 THR H H 9.014 . . 680 79 67 THR HA H 4.291 . . 681 79 67 THR HB H 4.122 . . 682 79 67 THR HG2 H 1.395 . . 683 79 67 THR CA C 64.064 . . 684 79 67 THR CB C 68.924 . . 685 79 67 THR CG2 C 22.408 . . 686 79 67 THR N N 122.773 . . 687 80 68 LEU H H 8.162 . . 688 80 68 LEU HA H 4.229 . . 689 80 68 LEU HB2 H 1.526 . . 690 80 68 LEU HB3 H 1.748 . . 691 80 68 LEU HG H 1.414 . . 692 80 68 LEU HD1 H 0.795 . . 693 80 68 LEU HD2 H 0.713 . . 694 80 68 LEU C C 176.812 . . 695 80 68 LEU CA C 55.717 . . 696 80 68 LEU CB C 40.047 . . 697 80 68 LEU CG C 26.763 . . 698 80 68 LEU CD1 C 26.673 . . 699 80 68 LEU CD2 C 23.341 . . 700 80 68 LEU N N 124.325 . . 701 81 69 ALA H H 8.597 . . 702 81 69 ALA HA H 4.503 . . 703 81 69 ALA HB H 1.428 . . 704 81 69 ALA C C 177.051 . . 705 81 69 ALA CA C 51.016 . . 706 81 69 ALA CB C 22.139 . . 707 81 69 ALA N N 123.758 . . 708 82 70 SER H H 8.915 . . 709 82 70 SER HA H 4.037 . . 710 82 70 SER HB2 H 3.7 . . 711 82 70 SER HB3 H 3.9 . . 712 82 70 SER CA C 57.359 . . 713 82 70 SER CB C 62.507 . . 714 82 70 SER N N 110.876 . . 715 83 71 PRO HA H 4.788 . . 716 83 71 PRO HB2 H 1.817 . . 717 83 71 PRO HB3 H 2.194 . . 718 83 71 PRO HG2 H 2.074 . . 719 83 71 PRO HG3 H 2.078 . . 720 83 71 PRO HD2 H 3.688 . . 721 83 71 PRO HD3 H 3.691 . . 722 83 71 PRO C C 177.916 . . 723 83 71 PRO CA C 62.731 . . 724 83 71 PRO CB C 31.839 . . 725 83 71 PRO CG C 27.718 . . 726 83 71 PRO CD C 50.605 . . 727 84 72 ARG H H 8.065 . . 728 84 72 ARG HA H 4.594 . . 729 84 72 ARG HB2 H 1.48 . . 730 84 72 ARG HB3 H 1.717 . . 731 84 72 ARG HG2 H 1.557 . . 732 84 72 ARG HG3 H 1.559 . . 733 84 72 ARG HD2 H 3.11 . . 734 84 72 ARG HD3 H 3.11 . . 735 84 72 ARG C C 174.275 . . 736 84 72 ARG CA C 54.747 . . 737 84 72 ARG CB C 34.376 . . 738 84 72 ARG CG C 27.079 . . 739 84 72 ARG CD C 43.492 . . 740 84 72 ARG N N 122.213 . . 741 85 73 PHE H H 8.658 . . 742 85 73 PHE HA H 5.444 . . 743 85 73 PHE HB2 H 2.846 . . 744 85 73 PHE HB3 H 2.859 . . 745 85 73 PHE HD1 H 7.342 . . 746 85 73 PHE HD2 H 7.342 . . 747 85 73 PHE HE1 H 6.757 . . 748 85 73 PHE HE2 H 6.757 . . 749 85 73 PHE HZ H 7.130 . . 750 85 73 PHE C C 174.827 . . 751 85 73 PHE CA C 55.979 . . 752 85 73 PHE CB C 43.041 . . 753 85 73 PHE CD1 C 132.3 . . 754 85 73 PHE CD2 C 132.3 . . 755 85 73 PHE CE1 C 132.8 . . 756 85 73 PHE CE2 C 132.8 . . 757 85 73 PHE CZ C 130.6 . . 758 85 73 PHE N N 122.075 . . 759 86 74 SER H H 8.794 . . 760 86 74 SER HA H 4.585 . . 761 86 74 SER HB2 H 3.662 . . 762 86 74 SER HB3 H 3.659 . . 763 86 74 SER C C 172.186 . . 764 86 74 SER CA C 56.341 . . 765 86 74 SER CB C 65.764 . . 766 86 74 SER N N 116.939 . . 767 87 75 TYR H H 8.455 . . 768 87 75 TYR HA H 5.459 . . 769 87 75 TYR HB2 H 2.833 . . 770 87 75 TYR HB3 H 3.257 . . 771 87 75 TYR HD1 H 7.15 . . 772 87 75 TYR HD2 H 7.15 . . 773 87 75 TYR HE1 H 6.773 . . 774 87 75 TYR HE2 H 6.805 . . 775 87 75 TYR CA C 56.344 . . 776 87 75 TYR CB C 43.307 . . 777 87 75 TYR CD1 C 134.48 . . 778 87 75 TYR CD2 C 134.48 . . 779 87 75 TYR CE1 C 118.075 . . 780 87 75 TYR CE2 C 118.075 . . 781 87 75 TYR N N 120.02 . . 782 88 76 ILE H H 8.37 . . 783 88 76 ILE HA H 4.256 . . 784 88 76 ILE HB H 1.762 . . 785 88 76 ILE HG12 H 1.348 . . 786 88 76 ILE HG13 H 1.352 . . 787 88 76 ILE HG2 H 0.758 . . 788 88 76 ILE HD1 H 0.851 . . 789 88 76 ILE CA C 58.776 . . 790 88 76 ILE CB C 39.615 . . 791 88 76 ILE CG1 C 26.802 . . 792 88 76 ILE CG2 C 17.024 . . 793 88 76 ILE CD1 C 13.126 . . 794 88 76 ILE N N 120.9759 . . 795 89 77 PRO HA H 4.697 . . 796 89 77 PRO HB2 H 1.835 . . 797 89 77 PRO HB3 H 2.578 . . 798 89 77 PRO HG2 H 1.89 . . 799 89 77 PRO HG3 H 1.951 . . 800 89 77 PRO HD2 H 3.878 . . 801 89 77 PRO HD3 H 3.878 . . 802 89 77 PRO C C 175.976 . . 803 89 77 PRO CA C 63.403 . . 804 89 77 PRO CB C 34.451 . . 805 89 77 PRO CG C 26.582 . . 806 89 77 PRO CD C 51.261 . . 807 90 78 ASN H H 8.456 . . 808 90 78 ASN HA H 4.724 . . 809 90 78 ASN HB2 H 2.781 . . 810 90 78 ASN HB3 H 3.077 . . 811 90 78 ASN C C 174.066 . . 812 90 78 ASN CA C 53.329 . . 813 90 78 ASN CB C 36.764 . . 814 90 78 ASN N N 115.705 . . 815 91 79 ASN H H 7.918 . . 816 91 79 ASN HA H 4.996 . . 817 91 79 ASN HB2 H 2.625 . . 818 91 79 ASN HB3 H 2.354 . . 819 91 79 ASN C C 171.992 . . 820 91 79 ASN CA C 49.748 . . 821 91 79 ASN CB C 38.779 . . 822 91 79 ASN N N 124.666 . . 823 92 80 PRO HA H 2.882 . . 824 92 80 PRO HB2 H 1.812 . . 825 92 80 PRO HB3 H 2.194 . . 826 92 80 PRO HG2 H 1.947 . . 827 92 80 PRO HG3 H 1.947 . . 828 92 80 PRO HD2 H 3.463 . . 829 92 80 PRO HD3 H 3.611 . . 830 92 80 PRO CA C 62.953 . . 831 92 80 PRO CB C 32.864 . . 832 92 80 PRO CG C 26.906 . . 833 92 80 PRO CD C 50.549 . . 834 93 81 ALA H H 6.065 . . 835 93 81 ALA HA H 4.282 . . 836 93 81 ALA HB H 1.285 . . 837 93 81 ALA C C 176.528 . . 838 93 81 ALA CA C 51.091 . . 839 93 81 ALA CB C 21.169 . . 840 93 81 ALA N N 120.746 . . 841 94 82 ASN H H 8.433 . . 842 94 82 ASN HA H 4.683 . . 843 94 82 ASN HB2 H 2.705 . . 844 94 82 ASN HB3 H 2.719 . . 845 94 82 ASN C C 174.633 . . 846 94 82 ASN CA C 52.658 . . 847 94 82 ASN CB C 39.600 . . 848 94 82 ASN N N 118.669 . . 849 95 83 ILE H H 8.25 . . 850 95 83 ILE HA H 4.103 . . 851 95 83 ILE HB H 1.742 . . 852 95 83 ILE HG12 H 1.725 . . 853 95 83 ILE HG13 H 1.73 . . 854 95 83 ILE HG2 H 0.762 . . 855 95 83 ILE HD1 H 0.645 . . 856 95 83 ILE C C 175.484 . . 857 95 83 ILE CA C 61.537 . . 858 95 83 ILE CB C 37.660 . . 859 95 83 ILE CG1 C 27.671 . . 860 95 83 ILE CG2 C 17.509 . . 861 95 83 ILE CD1 C 13.154 . . 862 95 83 ILE N N 123 . . 863 96 84 MET H H 8.198 . . 864 96 84 MET HA H 4.546 . . 865 96 84 MET HB2 H 1.617 . . 866 96 84 MET HB3 H 1.846 . . 867 96 84 MET HG2 H 2.343 . . 868 96 84 MET HG3 H 2.343 . . 869 96 84 MET C C 175.200 . . 870 96 84 MET CA C 55.120 . . 871 96 84 MET CB C 33.481 . . 872 96 84 MET CG C 32.207 . . 873 96 84 MET N N 125.485 . . 874 97 85 ASN H H 8.324 . . 875 97 85 ASN HA H 4.566 . . 876 97 85 ASN HB2 H 2.399 . . 877 97 85 ASN HB3 H 2.702 . . 878 97 85 ASN C C 174.499 . . 879 97 85 ASN CA C 53.404 . . 880 97 85 ASN CB C 38.182 . . 881 97 85 ASN N N 118.776 . . 882 98 86 GLY H H 7.880 . . 883 98 86 GLY HA2 H 3.398 . . 884 98 86 GLY HA3 H 4.005 . . 885 98 86 GLY C C 172.410 . . 886 98 86 GLY CA C 45.420 . . 887 98 86 GLY N N 107.269 . . 888 99 87 PHE H H 6.887 . . 889 99 87 PHE HA H 5.054 . . 890 99 87 PHE HB2 H 3.055 . . 891 99 87 PHE HB3 H 3.23 . . 892 99 87 PHE HD1 H 6.75 . . 893 99 87 PHE HD2 H 6.75 . . 894 99 87 PHE HE1 H 7.12 . . 895 99 87 PHE HE2 H 7.12 . . 896 99 87 PHE HZ H 7.195 . . 897 99 87 PHE C C 173.097 . . 898 99 87 PHE CA C 55.792 . . 899 99 87 PHE CB C 39.600 . . 900 99 87 PHE CD1 C 132.84 . . 901 99 87 PHE CD2 C 132.84 . . 902 99 87 PHE CE1 C 131.2 . . 903 99 87 PHE CE2 C 131.2 . . 904 99 87 PHE CZ C 130.65 . . 905 99 87 PHE N N 112.216 . . 906 100 88 VAL H H 9.428 . . 907 100 88 VAL HA H 4.328 . . 908 100 88 VAL HB H 2.139 . . 909 100 88 VAL HG1 H 0.989 . . 910 100 88 VAL HG2 H 0.989 . . 911 100 88 VAL C C 173.708 . . 912 100 88 VAL CA C 61.646 . . 913 100 88 VAL CB C 33.779 . . 914 100 88 VAL CG1 C 21.773 . . 915 100 88 VAL CG2 C 21.864 . . 916 100 88 VAL N N 119.845 . . 917 101 89 LEU H H 8.354 . . 918 101 89 LEU HA H 5.802 . . 919 101 89 LEU HB2 H 1.416 . . 920 101 89 LEU HB3 H 2.032 . . 921 101 89 LEU HG H 1.629 . . 922 101 89 LEU HD1 H 0.944 . . 923 101 89 LEU HD2 H 0.897 . . 924 101 89 LEU C C 177.707 . . 925 101 89 LEU CA C 53.180 . . 926 101 89 LEU CB C 45.793 . . 927 101 89 LEU CG C 27.580 . . 928 101 89 LEU CD1 C 26.2 . . 929 101 89 LEU CD2 C 24.586 . . 930 101 89 LEU N N 128.983 . . 931 102 90 THR H H 9.436 . . 932 102 90 THR HA H 4.170 . . 933 102 90 THR HB H 4.546 . . 934 102 90 THR HG2 H 1.492 . . 935 102 90 THR C C 174.529 . . 936 102 90 THR CA C 62.499 . . 937 102 90 THR CB C 69.708 . . 938 102 90 THR CG2 C 25.130 . . 939 102 90 THR N N 118.656 . . 940 103 91 ASN H H 8.705 . . 941 103 91 ASN HA H 4.725 . . 942 103 91 ASN HB2 H 2.394 . . 943 103 91 ASN HB3 H 2.79 . . 944 103 91 ASN C C 173.649 . . 945 103 91 ASN CA C 51.464 . . 946 103 91 ASN CB C 37.510 . . 947 103 91 ASN N N 119.899 . . 948 104 92 PRO HA H 4.386 . . 949 104 92 PRO HB2 H 2.355 . . 950 104 92 PRO HB3 H 2.362 . . 951 104 92 PRO HG2 H 1.879 . . 952 104 92 PRO HG3 H 1.879 . . 953 104 92 PRO HD2 H 3.701 . . 954 104 92 PRO HD3 H 3.585 . . 955 104 92 PRO C C 176.931 . . 956 104 92 PRO CA C 64.373 . . 957 104 92 PRO CB C 31.242 . . 958 104 92 PRO CG C 28.06 . . 959 104 92 PRO CD C 51.08 . . 960 105 93 GLY H H 9.884 . . 961 105 93 GLY HA2 H 3.437 . . 962 105 93 GLY HA3 H 4.436 . . 963 105 93 GLY C C 173.962 . . 964 105 93 GLY CA C 45.047 . . 965 105 93 GLY N N 114.096 . . 966 106 94 VAL H H 7.384 . . 967 106 94 VAL HA H 4.472 . . 968 106 94 VAL HB H 2.325 . . 969 106 94 VAL HG1 H 1.236 . . 970 106 94 VAL HG2 H 1.236 . . 971 106 94 VAL C C 176.454 . . 972 106 94 VAL CA C 63.850 . . 973 106 94 VAL CB C 32.436 . . 974 106 94 VAL CG1 C 22.136 . . 975 106 94 VAL CG2 C 22.136 . . 976 106 94 VAL N N 119.766 . . 977 107 95 TYR H H 8.750 . . 978 107 95 TYR HA H 5.087 . . 979 107 95 TYR HB2 H 2.422 . . 980 107 95 TYR HB3 H 4.008 . . 981 107 95 TYR HD1 H 7.23 . . 982 107 95 TYR HD2 H 7.23 . . 983 107 95 TYR HE1 H 6.8 . . 984 107 95 TYR HE2 H 6.8 . . 985 107 95 TYR C C 172.888 . . 986 107 95 TYR CA C 55.642 . . 987 107 95 TYR CB C 39.077 . . 988 107 95 TYR CD1 C 133.93 . . 989 107 95 TYR CD2 C 133.93 . . 990 107 95 TYR CE1 C 118.075 . . 991 107 95 TYR CE2 C 118.075 . . 992 107 95 TYR N N 123.904 . . 993 108 96 GLN H H 7.623 . . 994 108 96 GLN HA H 5.363 . . 995 108 96 GLN HB2 H 1.613 . . 996 108 96 GLN HB3 H 2.026 . . 997 108 96 GLN HG2 H 2.048 . . 998 108 96 GLN HG3 H 2.045 . . 999 108 96 GLN C C 172.022 . . 1000 108 96 GLN CA C 55.434 . . 1001 108 96 GLN CB C 32.212 . . 1002 108 96 GLN CG C 34.929 . . 1003 108 96 GLN N N 122.226 . . 1004 109 97 LEU H H 9.119 . . 1005 109 97 LEU HA H 5.215 . . 1006 109 97 LEU HB2 H 1.279 . . 1007 109 97 LEU HB3 H 1.759 . . 1008 109 97 LEU HG H 1.36 . . 1009 109 97 LEU HD1 H 0.679 . . 1010 109 97 LEU HD2 H 0.717 . . 1011 109 97 LEU C C 173.858 . . 1012 109 97 LEU CA C 52.658 . . 1013 109 97 LEU CB C 47.061 . . 1014 109 97 LEU CG C 27.761 . . 1015 109 97 LEU CD1 C 25.765 . . 1016 109 97 LEU CD2 C 24.586 . . 1017 109 97 LEU N N 127.917 . . 1018 110 98 GLY H H 9.417 . . 1019 110 98 GLY HA2 H 3.431 . . 1020 110 98 GLY HA3 H 5.212 . . 1021 110 98 GLY C C 172.813 . . 1022 110 98 GLY CA C 44.126 . . 1023 110 98 GLY N N 115.868 . . 1024 111 99 MET H H 8.606 . . 1025 111 99 MET HA H 4.808 . . 1026 111 99 MET HB2 H 1.533 . . 1027 111 99 MET HB3 H 2.034 . . 1028 111 99 MET HG2 H 2.207 . . 1029 111 99 MET HG3 H 2.209 . . 1030 111 99 MET C C 173.455 . . 1031 111 99 MET CA C 55.344 . . 1032 111 99 MET CB C 37.560 . . 1033 111 99 MET CG C 31.481 . . 1034 111 99 MET N N 121.968 . . 1035 112 100 GLN H H 8.364 . . 1036 112 100 GLN HA H 5.837 . . 1037 112 100 GLN HB2 H 1.796 . . 1038 112 100 GLN HB3 H 2.015 . . 1039 112 100 GLN HG2 H 2.236 . . 1040 112 100 GLN HG3 H 2.236 . . 1041 112 100 GLN C C 175.529 . . 1042 112 100 GLN CA C 53.180 . . 1043 112 100 GLN CB C 33.929 . . 1044 112 100 GLN CG C 34.022 . . 1045 112 100 GLN N N 122.931 . . 1046 113 101 GLY H H 8.369 . . 1047 113 101 GLY HA2 H 3.535 . . 1048 113 101 GLY HA3 H 4.469 . . 1049 113 101 GLY C C 171.888 . . 1050 113 101 GLY CA C 45.047 . . 1051 113 101 GLY N N 109.542 . . 1052 114 102 SER H H 9.322 . . 1053 114 102 SER HA H 5.691 . . 1054 114 102 SER HB2 H 3.25 . . 1055 114 102 SER HB3 H 3.503 . . 1056 114 102 SER C C 174.037 . . 1057 114 102 SER CA C 58.545 . . 1058 114 102 SER CB C 65.135 . . 1059 114 102 SER N N 115.328 . . 1060 115 103 ILE H H 9.555 . . 1061 115 103 ILE HA H 4.089 . . 1062 115 103 ILE HB H 1.891 . . 1063 115 103 ILE HG12 H 0.707 . . 1064 115 103 ILE HG13 H 0.707 . . 1065 115 103 ILE HG2 H 0.74 . . 1066 115 103 ILE HD1 H 0.698 . . 1067 115 103 ILE C C 177.215 . . 1068 115 103 ILE CA C 61.239 . . 1069 115 103 ILE CB C 39.152 . . 1070 115 103 ILE CG1 C 27.761 . . 1071 115 103 ILE CG2 C 17.962 . . 1072 115 103 ILE CD1 C 14.605 . . 1073 115 103 ILE N N 123.776 . . 1074 116 104 THR H H 6.893 . . 1075 116 104 THR HA H 5.132 . . 1076 116 104 THR HB H 4.693 . . 1077 116 104 THR HG2 H 1.104 . . 1078 116 104 THR C C 175.827 . . 1079 116 104 THR CA C 59.896 . . 1080 116 104 THR CB C 67.880 . . 1081 116 104 THR CG2 C 22.045 . . 1082 116 104 THR N N 121.847 . . 1083 117 105 PRO HA H 4.011 . . 1084 117 105 PRO HB2 H 1.781 . . 1085 117 105 PRO HB3 H 2.519 . . 1086 117 105 PRO CA C 65.285 . . 1087 117 105 PRO CB C 32.277 . . 1088 117 105 PRO CG C 28.174 . . 1089 117 105 PRO CD C 51.608 . . 1090 118 106 ALA H H 7.124 . . 1091 118 106 ALA HA H 4.138 . . 1092 118 106 ALA HB H 1.299 . . 1093 118 106 ALA CA C 52.515 . . 1094 118 106 ALA CB C 19.420 . . 1095 118 106 ALA N N 114.5 . . 1096 119 107 ILE H H 6.94 . . 1097 119 107 ILE HA H 3.795 . . 1098 119 107 ILE HB H 1.468 . . 1099 119 107 ILE HG12 H 1.194 . . 1100 119 107 ILE HG13 H 1.811 . . 1101 119 107 ILE HG2 H 0.204 . . 1102 119 107 ILE HD1 H 0.939 . . 1103 119 107 ILE CA C 59.444 . . 1104 119 107 ILE CB C 37.563 . . 1105 119 107 ILE CG1 C 27.035 . . 1106 119 107 ILE CG2 C 16.601 . . 1107 119 107 ILE CD1 C 13.154 . . 1108 119 107 ILE N N 120.3 . . 1109 120 108 PRO HA H 4.749 . . 1110 120 108 PRO HB2 H 1.797 . . 1111 120 108 PRO HB3 H 2.191 . . 1112 120 108 PRO CA C 62.732 . . 1113 120 108 PRO CB C 32.184 . . 1114 120 108 PRO CG C 27.900 . . 1115 120 108 PRO CD C 51.334 . . 1116 121 109 LEU H H 8.08 . . 1117 121 109 LEU HA H 4.077 . . 1118 121 109 LEU HB2 H 1.354 . . 1119 121 109 LEU HB3 H 0.993 . . 1120 121 109 LEU CA C 54.977 . . 1121 121 109 LEU CB C 41.939 . . 1122 121 109 LEU N N 122.7 . . 1123 122 110 ARG H H 8.14 . . 1124 122 110 ARG HA H 4.692 . . 1125 122 110 ARG HB3 H 1.968 . . 1126 122 110 ARG CA C 52.971 . . 1127 122 110 ARG CB C 30.360 . . 1128 122 110 ARG N N 123.4 . . 1129 123 111 PRO HA H 4.415 . . 1130 123 111 PRO HB2 H 1.86 . . 1131 123 111 PRO HB3 H 2.32 . . 1132 123 111 PRO HG2 H 1.789 . . 1133 123 111 PRO HG3 H 2.198 . . 1134 123 111 PRO HD2 H 3.559 . . 1135 123 111 PRO HD3 H 3.657 . . 1136 123 111 PRO CA C 64.3 . . 1137 123 111 PRO CB C 31.7 . . 1138 123 111 PRO CG C 28.5 . . 1139 123 111 PRO CD C 50.787 . . 1140 124 112 GLY H H 9.715 . . 1141 124 112 GLY HA2 H 3.465 . . 1142 124 112 GLY HA3 H 4.399 . . 1143 124 112 GLY C C 171 . . 1144 124 112 GLY CA C 45.221 . . 1145 124 112 GLY N N 114 . . 1146 125 113 LEU H H 8.17 . . 1147 125 113 LEU HA H 5.181 . . 1148 125 113 LEU HB2 H 1.276 . . 1149 125 113 LEU HB3 H 1.594 . . 1150 125 113 LEU HG H 1.693 . . 1151 125 113 LEU HD1 H 0.9 . . 1152 125 113 LEU HD2 H 0.9 . . 1153 125 113 LEU C C 177.036 . . 1154 125 113 LEU CA C 54.979 . . 1155 125 113 LEU CB C 44.077 . . 1156 125 113 LEU CG C 28.124 . . 1157 125 113 LEU CD1 C 25.312 . . 1158 125 113 LEU CD2 C 25.312 . . 1159 125 113 LEU N N 119.36 . . 1160 126 114 TYR H H 9.531 . . 1161 126 114 TYR HA H 5.095 . . 1162 126 114 TYR HB2 H 2.845 . . 1163 126 114 TYR HB3 H 2.845 . . 1164 126 114 TYR HD1 H 6.84 . . 1165 126 114 TYR HD2 H 6.84 . . 1166 126 114 TYR HE1 H 7.13 . . 1167 126 114 TYR HE2 H 7.13 . . 1168 126 114 TYR C C 174.288 . . 1169 126 114 TYR CA C 56.840 . . 1170 126 114 TYR CB C 42.266 . . 1171 126 114 TYR CD1 C 132.837 . . 1172 126 114 TYR CD2 C 132.837 . . 1173 126 114 TYR CE1 C 118.622 . . 1174 126 114 TYR CE2 C 118.622 . . 1175 126 114 TYR N N 123.146 . . 1176 127 115 GLU H H 9.726 . . 1177 127 115 GLU HA H 5.700 . . 1178 127 115 GLU HB2 H 1.899 . . 1179 127 115 GLU HB3 H 1.899 . . 1180 127 115 GLU HG2 H 2.163 . . 1181 127 115 GLU HG3 H 2.163 . . 1182 127 115 GLU C C 175.141 . . 1183 127 115 GLU CA C 54.127 . . 1184 127 115 GLU CB C 34.591 . . 1185 127 115 GLU CG C 36.018 . . 1186 127 115 GLU N N 117.746 . . 1187 128 116 VAL H H 8.709 . . 1188 128 116 VAL HA H 4.777 . . 1189 128 116 VAL HB H 2.095 . . 1190 128 116 VAL HG1 H 0.918 . . 1191 128 116 VAL HG2 H 0.976 . . 1192 128 116 VAL C C 174.489 . . 1193 128 116 VAL CA C 61.686 . . 1194 128 116 VAL CB C 35.212 . . 1195 128 116 VAL CG1 C 20.503 . . 1196 128 116 VAL CG2 C 22.317 . . 1197 128 116 VAL N N 120.341 . . 1198 129 117 VAL H H 8.713 . . 1199 129 117 VAL HA H 4.772 . . 1200 129 117 VAL HB H 1.751 . . 1201 129 117 VAL HG1 H 0.941 . . 1202 129 117 VAL HG2 H 0.719 . . 1203 129 117 VAL C C 174.231 . . 1204 129 117 VAL CA C 61.686 . . 1205 129 117 VAL CB C 34.376 . . 1206 129 117 VAL CG1 C 21.319 . . 1207 129 117 VAL CG2 C 20.957 . . 1208 129 117 VAL N N 127.394 . . 1209 130 118 LEU H H 8.803 . . 1210 130 118 LEU HA H 4.338 . . 1211 130 118 LEU HB2 H 1.22 . . 1212 130 118 LEU HB3 H 1.22 . . 1213 130 118 LEU HG H 0.535 . . 1214 130 118 LEU HD1 H 0.571 . . 1215 130 118 LEU HD2 H 0.57 . . 1216 130 118 LEU C C 173.246 . . 1217 130 118 LEU CA C 53.255 . . 1218 130 118 LEU CB C 45.817 . . 1219 130 118 LEU CG C 26.763 . . 1220 130 118 LEU CD1 C 23.769 . . 1221 130 118 LEU CD2 C 23.769 . . 1222 130 118 LEU N N 127.350 . . 1223 131 119 ASN H H 7.885 . . 1224 131 119 ASN HA H 4.984 . . 1225 131 119 ASN HB2 H 0.485 . . 1226 131 119 ASN HB3 H 1.086 . . 1227 131 119 ASN C C 173.186 . . 1228 131 119 ASN CA C 51.258 . . 1229 131 119 ASN CB C 41.316 . . 1230 131 119 ASN N N 123.090 . . 1231 132 120 ALA H H 8.595 . . 1232 132 120 ALA HA H 5.362 . . 1233 132 120 ALA HB H 1.157 . . 1234 132 120 ALA C C 174.708 . . 1235 132 120 ALA CA C 51.538 . . 1236 132 120 ALA CB C 23.930 . . 1237 132 120 ALA N N 119.101 . . 1238 133 121 GLU H H 9.438 . . 1239 133 121 GLU HA H 4.992 . . 1240 133 121 GLU HB2 H 2.126 . . 1241 133 121 GLU HB3 H 2.126 . . 1242 133 121 GLU C C 173.693 . . 1243 133 121 GLU CA C 54.282 . . 1244 133 121 GLU CB C 34.838 . . 1245 133 121 GLU CG C 35.201 . . 1246 133 121 GLU N N 117.053 . . 1247 134 122 LEU H H 8.469 . . 1248 134 122 LEU HA H 5.203 . . 1249 134 122 LEU HB2 H 1.425 . . 1250 134 122 LEU HB3 H 1.596 . . 1251 134 122 LEU HG H 1.42 . . 1252 134 122 LEU HD1 H 0.651 . . 1253 134 122 LEU HD2 H 0.711 . . 1254 134 122 LEU C C 176.648 . . 1255 134 122 LEU CA C 53.852 . . 1256 134 122 LEU CB C 44.204 . . 1257 134 122 LEU CG C 27.217 . . 1258 134 122 LEU CD1 C 25.493 . . 1259 134 122 LEU CD2 C 23.860 . . 1260 134 122 LEU N N 121.551 . . 1261 135 123 VAL H H 9.159 . . 1262 135 123 VAL HA H 4.733 . . 1263 135 123 VAL HB H 2.056 . . 1264 135 123 VAL HG1 H 0.761 . . 1265 135 123 VAL HG2 H 0.761 . . 1266 135 123 VAL C C 175.723 . . 1267 135 123 VAL CA C 59.821 . . 1268 135 123 VAL CB C 34.824 . . 1269 135 123 VAL CG1 C 21.955 . . 1270 135 123 VAL CG2 C 20.321 . . 1271 135 123 VAL N N 120.484 . . 1272 136 124 THR H H 8.521 . . 1273 136 124 THR HA H 4.711 . . 1274 136 124 THR HB H 4.436 . . 1275 136 124 THR HG2 H 1.223 . . 1276 136 124 THR C C 174.660 . . 1277 136 124 THR CA C 60.493 . . 1278 136 124 THR CB C 70.566 . . 1279 136 124 THR CG2 C 21.682 . . 1280 136 124 THR N N 114.114 . . 1281 137 125 ASN H H 8.560 . . 1282 137 125 ASN HA H 4.7 . . 1283 137 125 ASN HB2 H 2.869 . . 1284 137 125 ASN HB3 H 2.928 . . 1285 137 125 ASN C C 174.977 . . 1286 137 125 ASN CA C 54.075 . . 1287 137 125 ASN CB C 38.928 . . 1288 137 125 ASN N N 118.879 . . 1289 138 126 ASP H H 8.134 . . 1290 138 126 ASP HA H 4.625 . . 1291 138 126 ASP HB2 H 2.693 . . 1292 138 126 ASP HB3 H 2.693 . . 1293 138 126 ASP C C 175.812 . . 1294 138 126 ASP CA C 53.702 . . 1295 138 126 ASP CB C 41.241 . . 1296 138 126 ASP N N 118.526 . . 1297 139 127 ASN H H 8.471 . . 1298 139 127 ASN HA H 4.514 . . 1299 139 127 ASN HB2 H 2.732 . . 1300 139 127 ASN HB3 H 2.918 . . 1301 139 127 ASN CA C 53.892 . . 1302 139 127 ASN CB C 38.256 . . 1303 139 127 ASN N N 119.516 . . 1304 140 128 LYS H H 8.165 . . 1305 140 128 LYS HA H 4.26 . . 1306 140 128 LYS HB2 H 1.832 . . 1307 140 128 LYS HB3 H 1.832 . . 1308 140 128 LYS HG2 H 1.406 . . 1309 140 128 LYS HG3 H 1.390 . . 1310 140 128 LYS HD2 H 1.683 . . 1311 140 128 LYS HD3 H 1.618 . . 1312 140 128 LYS HE2 H 2.996 . . 1313 140 128 LYS HE3 H 2.996 . . 1314 140 128 LYS C C 177.053 . . 1315 140 128 LYS CA C 57.209 . . 1316 140 128 LYS CB C 32.586 . . 1317 140 128 LYS CG C 25.221 . . 1318 140 128 LYS CD C 28.941 . . 1319 140 128 LYS CE C 41.915 . . 1320 140 128 LYS N N 119.363 . . 1321 141 129 GLN H H 8.074 . . 1322 141 129 GLN C C 176.195 . . 1323 141 129 GLN N N 118.986 . . 1324 142 130 ASN H H 8.312 . . 1325 142 130 ASN HA H 4.708 . . 1326 142 130 ASN HB2 H 2.729 . . 1327 142 130 ASN HB3 H 2.820 . . 1328 142 130 ASN C C 175.275 . . 1329 142 130 ASN CA C 53.553 . . 1330 142 130 ASN CB C 38.779 . . 1331 142 130 ASN N N 118.998 . . 1332 143 131 ALA H H 8.162 . . 1333 143 131 ALA HA H 4.334 . . 1334 143 131 ALA HB H 1.417 . . 1335 143 131 ALA C C 177.916 . . 1336 143 131 ALA CA C 53.105 . . 1337 143 131 ALA CB C 19.677 . . 1338 143 131 ALA N N 123.813 . . 1339 144 132 THR H H 8 . . 1340 144 132 THR HA H 4.323 . . 1341 144 132 THR HB H 4.355 . . 1342 144 132 THR HG2 H 1.169 . . 1343 144 132 THR C C 174.126 . . 1344 144 132 THR CA C 61.761 . . 1345 144 132 THR CB C 69.670 . . 1346 144 132 THR CG2 C 22.045 . . 1347 144 132 THR N N 111.79 . . 1348 145 133 ALA H H 8.133 . . 1349 145 133 ALA HA H 4.350 . . 1350 145 133 ALA HB H 1.429 . . 1351 145 133 ALA C C 176.931 . . 1352 145 133 ALA CA C 52.732 . . 1353 145 133 ALA CB C 20.124 . . 1354 145 133 ALA N N 127.3 . . 1355 146 134 VAL H H 8.094 . . 1356 146 134 VAL HA H 4.252 . . 1357 146 134 VAL HB H 2.139 . . 1358 146 134 VAL HG1 H 1.053 . . 1359 146 134 VAL HG2 H 1.041 . . 1360 146 134 VAL C C 174.783 . . 1361 146 134 VAL CA C 61.241 . . 1362 146 134 VAL CB C 33.854 . . 1363 146 134 VAL CG1 C 21.319 . . 1364 146 134 VAL CG2 C 21.319 . . 1365 146 134 VAL N N 119.263 . . 1366 147 135 ALA H H 8.428 . . 1367 147 135 ALA HA H 4.799 . . 1368 147 135 ALA HB H 1.43 . . 1369 147 135 ALA C C 177.230 . . 1370 147 135 ALA CA C 52.658 . . 1371 147 135 ALA CB C 20.199 . . 1372 147 135 ALA N N 128.584 . . 1373 148 136 LYS H H 8.984 . . 1374 148 136 LYS HA H 4.73 . . 1375 148 136 LYS HB2 H 1.59 . . 1376 148 136 LYS HB3 H 1.845 . . 1377 148 136 LYS HG2 H 1.518 . . 1378 148 136 LYS HG3 H 1.517 . . 1379 148 136 LYS HD2 H 1.654 . . 1380 148 136 LYS HD3 H 1.654 . . 1381 148 136 LYS HE2 H 3.222 . . 1382 148 136 LYS HE3 H 3.222 . . 1383 148 136 LYS C C 174.812 . . 1384 148 136 LYS CA C 55.269 . . 1385 148 136 LYS CB C 36.615 . . 1386 148 136 LYS CG C 25.947 . . 1387 148 136 LYS CD C 29.667 . . 1388 148 136 LYS CE C 42.580 . . 1389 148 136 LYS N N 121.352 . . 1390 149 137 THR H H 8.167 . . 1391 149 137 THR HA H 5.161 . . 1392 149 137 THR HB H 3.770 . . 1393 149 137 THR HG2 H 1.037 . . 1394 149 137 THR C C 173.514 . . 1395 149 137 THR CA C 60.493 . . 1396 149 137 THR CB C 72.058 . . 1397 149 137 THR CG2 C 21.864 . . 1398 149 137 THR N N 114.248 . . 1399 150 138 ALA H H 9.020 . . 1400 150 138 ALA HA H 4.84 . . 1401 150 138 ALA HB H 1.421 . . 1402 150 138 ALA C C 174.947 . . 1403 150 138 ALA CA C 51.165 . . 1404 150 138 ALA CB C 23.631 . . 1405 150 138 ALA N N 127.210 . . 1406 151 139 THR H H 8.519 . . 1407 151 139 THR HA H 5.374 . . 1408 151 139 THR HB H 3.911 . . 1409 151 139 THR HG2 H 1.115 . . 1410 151 139 THR C C 174.201 . . 1411 151 139 THR CA C 61.537 . . 1412 151 139 THR CB C 71.834 . . 1413 151 139 THR CG2 C 22.227 . . 1414 151 139 THR N N 115.300 . . 1415 152 140 SER H H 9.067 . . 1416 152 140 SER HA H 4.894 . . 1417 152 140 SER HB2 H 3.58 . . 1418 152 140 SER HB3 H 3.7 . . 1419 152 140 SER C C 173.514 . . 1420 152 140 SER CA C 58.702 . . 1421 152 140 SER CB C 65.044 . . 1422 152 140 SER N N 122.989 . . 1423 153 141 THR H H 8.568 . . 1424 153 141 THR HA H 5.114 . . 1425 153 141 THR HB H 3.892 . . 1426 153 141 THR HG2 H 1.221 . . 1427 153 141 THR C C 173.843 . . 1428 153 141 THR CA C 62.209 . . 1429 153 141 THR CB C 69.969 . . 1430 153 141 THR CG2 C 21.501 . . 1431 153 141 THR N N 121.609 . . 1432 154 142 ILE H H 9.181 . . 1433 154 142 ILE HA H 4.94 . . 1434 154 142 ILE HB H 1.811 . . 1435 154 142 ILE HG12 H 1.209 . . 1436 154 142 ILE HG13 H 1.37 . . 1437 154 142 ILE HG2 H 0.674 . . 1438 154 142 ILE HD1 H 0.735 . . 1439 154 142 ILE C C 174.633 . . 1440 154 142 ILE CA C 57.806 . . 1441 154 142 ILE CB C 39.823 . . 1442 154 142 ILE CG1 C 27.852 . . 1443 154 142 ILE CG2 C 18.507 . . 1444 154 142 ILE CD1 C 11.793 . . 1445 154 142 ILE N N 130.255 . . 1446 155 143 THR H H 8.811 . . 1447 155 143 THR HA H 4.78 . . 1448 155 143 THR HB H 4.359 . . 1449 155 143 THR HG2 H 1.085 . . 1450 155 143 THR C C 172.917 . . 1451 155 143 THR CA C 62.731 . . 1452 155 143 THR CB C 69.223 . . 1453 155 143 THR CG2 C 20.775 . . 1454 155 143 THR N N 126.290 . . 1455 156 144 VAL H H 9.358 . . 1456 156 144 VAL HA H 4.969 . . 1457 156 144 VAL HB H 2.448 . . 1458 156 144 VAL HG1 H 0.674 . . 1459 156 144 VAL HG2 H 0.47 . . 1460 156 144 VAL C C 175.752 . . 1461 156 144 VAL CA C 60.716 . . 1462 156 144 VAL CB C 31.258 . . 1463 156 144 VAL CG1 C 23.043 . . 1464 156 144 VAL CG2 C 21.75 . . 1465 156 144 VAL N N 129.503 . . 1466 157 145 VAL H H 8.642 . . 1467 157 145 VAL HA H 4.210 . . 1468 157 145 VAL HB H 2.088 . . 1469 157 145 VAL HG1 H 0.885 . . 1470 157 145 VAL HG2 H 0.834 . . 1471 157 145 VAL C C 179.453 . . 1472 157 145 VAL CA C 62.669 . . 1473 157 145 VAL CB C 34.031 . . 1474 157 145 VAL CG1 C 21.592 . . 1475 157 145 VAL CG2 C 19.505 . . 1476 157 145 VAL N N 130.701 . . stop_ save_