data_15032 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments of the type 1 pilus subunit FimF ; _BMRB_accession_number 15032 _BMRB_flat_file_name bmr15032.str _Entry_type original _Submission_date 2006-11-15 _Accession_date 2006-11-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The data presented are of a protein construct of FimF, a subunit of type 1 pili from E. coli. Type 1 pili are filamentous adhesion organelles of uropathogenic E. coli strains. They consist of up to 3000 subunits connected non-covalently to a chain. Each subunit features an immunoglobulin-like fold, in which one of the seven beta-strands is donated by the preceding subunit. In this work the type 1 pilus subunit FimF was selected for NMR studies. A soluble 179 amino acid construct of FimF was engineered, which contained an additional donor strand at the C-terminus acting as the complementing beta-strand. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gossert Alvar D. . 2 Hiller Sebastian . . 3 Fiorito Francesco . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 920 "13C chemical shifts" 675 "15N chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2007-05-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the E. coli type 1 pilus protein FimF.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17417715 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gossert Alvar D. . 2 Hiller Sebastian . . 3 Fiorito Francesco . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 195 _Page_last 195 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FimF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FimF $FimF stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FimF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FimF _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; MADSTITIRGYVRDNGCSVA AESTNFTVDLMENAAKQFNN IGATTPVVPFRILLSPCGNA VSAVKVGFTGVADSHNANLL ALENTVSAASGLGIQLLNEQ QNQIPLNAPSSALSWTTLTP GKPNTLNFYARLMATQVPVT AGHINATATFTLEYQDNHHH HHHKQADSTITIRGYVRDN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 ALA 3 2 ASP 4 3 SER 5 4 THR 6 5 ILE 7 6 THR 8 7 ILE 9 8 ARG 10 9 GLY 11 10 TYR 12 11 VAL 13 12 ARG 14 13 ASP 15 14 ASN 16 15 GLY 17 16 CYS 18 17 SER 19 18 VAL 20 19 ALA 21 20 ALA 22 21 GLU 23 22 SER 24 23 THR 25 24 ASN 26 25 PHE 27 26 THR 28 27 VAL 29 28 ASP 30 29 LEU 31 30 MET 32 31 GLU 33 32 ASN 34 33 ALA 35 34 ALA 36 35 LYS 37 36 GLN 38 37 PHE 39 38 ASN 40 39 ASN 41 40 ILE 42 41 GLY 43 42 ALA 44 43 THR 45 44 THR 46 45 PRO 47 46 VAL 48 47 VAL 49 48 PRO 50 49 PHE 51 50 ARG 52 51 ILE 53 52 LEU 54 53 LEU 55 54 SER 56 55 PRO 57 56 CYS 58 57 GLY 59 58 ASN 60 59 ALA 61 60 VAL 62 61 SER 63 62 ALA 64 63 VAL 65 64 LYS 66 65 VAL 67 66 GLY 68 67 PHE 69 68 THR 70 69 GLY 71 70 VAL 72 71 ALA 73 72 ASP 74 73 SER 75 74 HIS 76 75 ASN 77 76 ALA 78 77 ASN 79 78 LEU 80 79 LEU 81 80 ALA 82 81 LEU 83 82 GLU 84 83 ASN 85 84 THR 86 85 VAL 87 86 SER 88 87 ALA 89 88 ALA 90 89 SER 91 90 GLY 92 91 LEU 93 92 GLY 94 93 ILE 95 94 GLN 96 95 LEU 97 96 LEU 98 97 ASN 99 98 GLU 100 99 GLN 101 100 GLN 102 101 ASN 103 102 GLN 104 103 ILE 105 104 PRO 106 105 LEU 107 106 ASN 108 107 ALA 109 108 PRO 110 109 SER 111 110 SER 112 111 ALA 113 112 LEU 114 113 SER 115 114 TRP 116 115 THR 117 116 THR 118 117 LEU 119 118 THR 120 119 PRO 121 120 GLY 122 121 LYS 123 122 PRO 124 123 ASN 125 124 THR 126 125 LEU 127 126 ASN 128 127 PHE 129 128 TYR 130 129 ALA 131 130 ARG 132 131 LEU 133 132 MET 134 133 ALA 135 134 THR 136 135 GLN 137 136 VAL 138 137 PRO 139 138 VAL 140 139 THR 141 140 ALA 142 141 GLY 143 142 HIS 144 143 ILE 145 144 ASN 146 145 ALA 147 146 THR 148 147 ALA 149 148 THR 150 149 PHE 151 150 THR 152 151 LEU 153 152 GLU 154 153 TYR 155 154 GLN 156 155 ASP 157 156 ASN 158 157 HIS 159 158 HIS 160 159 HIS 161 160 HIS 162 161 HIS 163 162 HIS 164 163 LYS 165 164 GLN 166 165 ALA 167 166 ASP 168 167 SER 169 168 THR 170 169 ILE 171 170 THR 172 171 ILE 173 172 ARG 174 173 GLY 175 174 TYR 176 175 VAL 177 176 ARG 178 177 ASP 179 178 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JMR "Nmr Structure Of The E. Coli Type 1 Pilus Subunit Fimf" 100.00 179 100.00 100.00 5.80e-128 PDB 3BWU "Crystal Structure Of The Ternary Complex Of Fimd (n-terminal Domain, Fimdn) With Fimc And The N-terminally Truncated Pilus Subu" 79.33 142 100.00 100.00 1.67e-96 PDB 3JWN "Complex Of Fimc, Fimf, Fimg And Fimh" 86.03 154 99.35 100.00 1.14e-105 PDB 4J3O "Crystal Structure Of The Fimd Usher Traversed By The Pilus Tip Complex Assembly Composed Of Fimc:fimf:fimg:fimh" 86.03 154 100.00 100.00 3.77e-106 DBJ BAB38700 "fimbrial morphology [Escherichia coli O157:H7 str. Sakai]" 86.03 176 99.35 100.00 3.59e-105 DBJ BAE78311 "minor component of type 1 fimbriae [Escherichia coli str. K12 substr. W3110]" 86.03 176 100.00 100.00 1.40e-105 DBJ BAG80115 "type-1 fimbrial minor subunit FimF [Escherichia coli SE11]" 86.03 176 98.70 100.00 1.14e-104 DBJ BAI28637 "minor component FimF of type 1 fimbriae [Escherichia coli O26:H11 str. 11368]" 86.03 176 99.35 100.00 3.59e-105 DBJ BAI33778 "minor component FimF of type 1 fimbriae [Escherichia coli O103:H2 str. 12009]" 86.03 176 99.35 100.00 3.59e-105 EMBL CAA12421 "minor fimbrial subunit, precursor polypeptide [Escherichia coli]" 86.03 176 98.05 100.00 3.76e-104 EMBL CAH55782 "minor fimbrial subunit precursor [Escherichia coli]" 86.03 176 98.05 100.00 3.76e-104 EMBL CAP78799 "Protein fimF [Escherichia coli LF82]" 86.03 176 97.40 99.35 1.33e-103 EMBL CAQ34666 "fimbrial morphology, subunit of fimbrial complex [Escherichia coli BL21(DE3)]" 86.03 176 100.00 100.00 1.40e-105 EMBL CAR01275 "minor component of type 1 fimbriae [Escherichia coli IAI1]" 86.03 176 99.35 100.00 2.37e-105 GB AAA97214 "CG Site No. 18343 [Escherichia coli str. K-12 substr. MG1655]" 86.03 176 100.00 100.00 1.40e-105 GB AAC77274 "minor component of type 1 fimbriae [Escherichia coli str. K-12 substr. MG1655]" 86.03 176 100.00 100.00 1.40e-105 GB AAG24828 "type 1 fimbrial minor subunit FimF [Escherichia coli LF82]" 86.03 176 97.40 99.35 1.33e-103 GB AAG59500 "fimbrial morphology [Escherichia coli O157:H7 str. EDL933]" 86.03 176 99.35 100.00 3.59e-105 GB AAN45623 "minor fimbrial subunit, precursor polypeptide [Shigella flexneri 2a str. 301]" 86.03 176 98.70 100.00 7.47e-105 REF NP_313304 "protein FimF [Escherichia coli O157:H7 str. Sakai]" 86.03 176 99.35 100.00 3.59e-105 REF NP_418738 "minor component of type 1 fimbriae [Escherichia coli str. K-12 substr. MG1655]" 86.03 176 100.00 100.00 1.40e-105 REF NP_709916 "minor fimbrial subunit [Shigella flexneri 2a str. 301]" 86.03 176 98.70 100.00 7.47e-105 REF WP_001244818 "protein FimF [Escherichia coli]" 86.03 176 99.35 100.00 5.04e-105 REF WP_001244819 "fimbrial protein FimF [Escherichia coli]" 86.03 176 99.35 99.35 5.81e-105 SP P08189 "RecName: Full=Protein FimF; Flags: Precursor" 86.03 176 100.00 100.00 1.40e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FimF '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 $FimF 'recombinant technology' . Escherichia coli 'BL21(DE3) starTM' 'pET 11a' 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 $FimF 1.4 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 25 mM . 'sodium chloride' 100 mM . 'sodium azide' 0.05 % . D2O 5 % . H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_nmr_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_nmr_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_4D_APSY-HNCOCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HNCOCA' _Sample_label $sample_1 save_ save_4D_APSY-COHNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-COHNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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 pH 6.8 . pH temperature 310.1 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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 HNCACB' '4D APSY-HNCOCA' '4D APSY-COHNCA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' 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 FimF _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 0 1 MET C C 176.7 0.3 1 2 1 2 ALA H H 8.26 0.02 1 3 1 2 ALA HA H 4.28 0.02 1 4 1 2 ALA HB H 1.39 0.02 1 5 1 2 ALA C C 177.5 0.3 1 6 1 2 ALA CA C 52.2 0.3 1 7 1 2 ALA CB C 19.0 0.3 1 8 1 2 ALA N N 129.8 0.3 1 9 2 3 ASP H H 8.34 0.02 1 10 2 3 ASP HA H 4.97 0.02 1 11 2 3 ASP HB2 H 2.69 0.02 1 12 2 3 ASP HB3 H 2.69 0.02 1 13 2 3 ASP CA C 53.8 0.3 1 14 2 3 ASP CB C 40.9 0.3 1 15 2 3 ASP N N 119.1 0.3 1 16 3 4 SER H H 8.24 0.02 1 17 3 4 SER HA H 4.49 0.02 1 18 3 4 SER HB2 H 3.95 0.02 1 19 3 4 SER HB3 H 3.95 0.02 1 20 3 4 SER CA C 58.3 0.3 1 21 3 4 SER CB C 63.2 0.3 1 22 3 4 SER N N 116.5 0.3 1 23 4 5 THR H H 8.3 0.02 1 24 4 5 THR HA H 4.31 0.02 1 25 4 5 THR HB H 4.23 0.02 1 26 4 5 THR HG2 H 1.21 0.02 1 27 4 5 THR C C 174.2 0.3 1 28 4 5 THR CA C 62.0 0.3 1 29 4 5 THR CB C 68.9 0.3 1 30 4 5 THR CG2 C 21.4 0.3 1 31 4 5 THR N N 116.4 0.3 1 32 5 6 ILE H H 8.00 0.02 1 33 5 6 ILE HA H 4.22 0.02 1 34 5 6 ILE HB H 1.87 0.02 1 35 5 6 ILE HG12 H 2.16 0.02 2 36 5 6 ILE HG13 H 1.66 0.02 2 37 5 6 ILE HG2 H 1.47 0.02 1 38 5 6 ILE HD1 H 0.88 0.02 1 39 5 6 ILE C C 175.8 0.3 1 40 5 6 ILE CA C 60.7 0.3 1 41 5 6 ILE CB C 38.3 0.3 1 42 5 6 ILE CG1 C 26.8 0.3 1 43 5 6 ILE CG2 C 21.3 0.3 1 44 5 6 ILE CD1 C 17.1 0.3 1 45 5 6 ILE N N 122.9 0.3 1 46 6 7 THR H H 8.15 0.02 1 47 6 7 THR HA H 4.35 0.02 1 48 6 7 THR HB H 4.16 0.02 1 49 6 7 THR HG2 H 1.17 0.02 1 50 6 7 THR C C 174 0.3 1 51 6 7 THR CA C 61.4 0.3 1 52 6 7 THR CB C 69.2 0.3 1 53 6 7 THR CG2 C 21.3 0.3 1 54 6 7 THR N N 118.9 0.3 1 55 7 8 ILE H H 8.11 0.02 1 56 7 8 ILE HA H 4.16 0.02 1 57 7 8 ILE HB H 1.85 0.02 1 58 7 8 ILE HG12 H 1.47 0.02 2 59 7 8 ILE HG13 H 1.17 0.02 2 60 7 8 ILE HG2 H 0.89 0.02 1 61 7 8 ILE HD1 H 1.6 0.02 1 62 7 8 ILE C C 175.6 0.3 1 63 7 8 ILE CA C 60.6 0.3 1 64 7 8 ILE CB C 38.2 0.3 1 65 7 8 ILE CG1 C 26.8 0.3 1 66 7 8 ILE CG2 C 17.2 0.3 1 67 7 8 ILE CD1 C 17.0 0.3 1 68 7 8 ILE N N 123.9 0.3 1 69 8 9 ARG H H 8.33 0.02 1 70 8 9 ARG HA H 4.32 0.02 1 71 8 9 ARG HB2 H 1.82 0.02 2 72 8 9 ARG HB3 H 1.76 0.02 2 73 8 9 ARG HG2 H 2.19 0.02 2 74 8 9 ARG HG3 H 1.65 0.02 2 75 8 9 ARG HD2 H 3.19 0.02 2 76 8 9 ARG HD3 H 2.76 0.02 2 77 8 9 ARG HE H 7.68 0.02 1 78 8 9 ARG CA C 55.8 0.3 1 79 8 9 ARG CB C 30.4 0.3 1 80 8 9 ARG CG C 26.6 0.3 1 81 8 9 ARG CD C 42.9 0.3 1 82 8 9 ARG N N 125.2 0.3 1 83 8 9 ARG NE N 84.9 0.3 1 84 9 10 GLY H H 8.28 0.02 1 85 9 10 GLY HA2 H 3.90 0.02 1 86 9 10 GLY HA3 H 3.90 0.02 1 87 9 10 GLY C C 173 0.3 1 88 9 10 GLY CA C 44.7 0.3 1 89 9 10 GLY N N 110.0 0.3 1 90 10 11 TYR H H 7.93 0.02 1 91 10 11 TYR HA H 4.53 0.02 1 92 10 11 TYR HB2 H 2.93 0.02 1 93 10 11 TYR HB3 H 2.93 0.02 1 94 10 11 TYR HD1 H 7.04 0.02 1 95 10 11 TYR HD2 H 7.04 0.02 1 96 10 11 TYR HE1 H 6.77 0.02 1 97 10 11 TYR HE2 H 6.77 0.02 1 98 10 11 TYR C C 175 0.3 1 99 10 11 TYR CA C 57.4 0.3 1 100 10 11 TYR CB C 38.5 0.3 1 101 10 11 TYR CD1 C 132.7 0.3 1 102 10 11 TYR CE1 C 117.8 0.3 1 103 10 11 TYR N N 120.4 0.3 1 104 11 12 VAL H H 7.86 0.02 1 105 11 12 VAL HA H 3.94 0.02 1 106 11 12 VAL HB H 1.89 0.02 1 107 11 12 VAL HG1 H 0.82 0.02 1 108 11 12 VAL HG2 H 0.74 0.02 1 109 11 12 VAL C C 174.8 0.3 1 110 11 12 VAL CA C 61.3 0.3 1 111 11 12 VAL CB C 32.6 0.3 1 112 11 12 VAL CG1 C 20.5 0.3 1 113 11 12 VAL CG2 C 20.3 0.3 1 114 11 12 VAL N N 123.3 0.3 1 115 12 13 ARG H H 8.04 0.02 1 116 12 13 ARG HA H 4.19 0.02 1 117 12 13 ARG HB2 H 1.74 0.02 2 118 12 13 ARG HB3 H 1.62 0.02 2 119 12 13 ARG HG2 H 1.52 0.02 1 120 12 13 ARG HG3 H 1.52 0.02 1 121 12 13 ARG HD2 H 3.05 0.02 1 122 12 13 ARG HD3 H 3.05 0.02 1 123 12 13 ARG CA C 55.6 0.3 1 124 12 13 ARG CB C 30.1 0.3 1 125 12 13 ARG CG C 26.7 0.3 1 126 12 13 ARG CD C 42.8 0.3 1 127 12 13 ARG N N 124.9 0.3 1 128 13 14 ASP H H 8.32 0.02 1 129 13 14 ASP HA H 4.53 0.02 1 130 13 14 ASP HB2 H 2.66 0.02 2 131 13 14 ASP HB3 H 2.55 0.02 2 132 13 14 ASP C C 175.2 0.3 1 133 13 14 ASP CA C 55.5 0.3 1 134 13 14 ASP CB C 40.5 0.3 1 135 13 14 ASP N N 120.7 0.3 1 136 14 15 ASN H H 7.89 0.02 1 137 14 15 ASN HA H 4.43 0.02 1 138 14 15 ASN HB2 H 2.86 0.02 2 139 14 15 ASN HB3 H 2.62 0.02 2 140 14 15 ASN HD21 H 7.45 0.02 1 141 14 15 ASN HD22 H 6.75 0.02 1 142 14 15 ASN C C 173.1 0.3 1 143 14 15 ASN CA C 51.4 0.3 1 144 14 15 ASN CB C 37.8 0.3 1 145 14 15 ASN N N 115.7 0.3 1 146 14 15 ASN ND2 N 111.3 0.3 1 147 15 16 GLY H H 7.28 0.02 1 148 15 16 GLY HA2 H 3.00 0.02 2 149 15 16 GLY HA3 H 3.47 0.02 2 150 15 16 GLY C C 171 0.3 1 151 15 16 GLY CA C 43.3 0.3 1 152 15 16 GLY N N 105.6 0.3 1 153 16 17 CYS H H 5.78 0.02 1 154 16 17 CYS HA H 5.47 0.02 1 155 16 17 CYS HB2 H 3.60 0.02 2 156 16 17 CYS HB3 H 3.00 0.02 2 157 16 17 CYS C C 173.6 0.3 1 158 16 17 CYS CA C 55.4 0.3 1 159 16 17 CYS CB C 51.2 0.3 1 160 16 17 CYS N N 113.0 0.3 1 161 17 18 SER H H 8.09 0.02 1 162 17 18 SER HA H 4.84 0.02 1 163 17 18 SER HB2 H 3.66 0.02 2 164 17 18 SER HB3 H 3.89 0.02 2 165 17 18 SER C C 172 0.3 1 166 17 18 SER CA C 57.0 0.3 1 167 17 18 SER CB C 64.1 0.3 1 168 17 18 SER N N 117.5 0.3 1 169 18 19 VAL H H 8.52 0.02 1 170 18 19 VAL HA H 4.12 0.02 1 171 18 19 VAL HB H 1.96 0.02 1 172 18 19 VAL HG1 H 1.15 0.02 1 173 18 19 VAL HG2 H 1.04 0.02 1 174 18 19 VAL C C 176.1 0.3 1 175 18 19 VAL CA C 62.7 0.3 1 176 18 19 VAL CB C 31.5 0.3 1 177 18 19 VAL CG1 C 22.2 0.3 1 178 18 19 VAL CG2 C 22.9 0.3 1 179 18 19 VAL N N 124.2 0.3 1 180 19 20 ALA H H 8.76 0.02 1 181 19 20 ALA HA H 4.37 0.02 1 182 19 20 ALA HB H 1.51 0.02 1 183 19 20 ALA C C 178.8 0.3 1 184 19 20 ALA CA C 52.2 0.3 1 185 19 20 ALA CB C 19.4 0.3 1 186 19 20 ALA N N 131.7 0.3 1 187 20 21 ALA H H 8.93 0.02 1 188 20 21 ALA HA H 4.16 0.02 1 189 20 21 ALA HB H 1.55 0.02 1 190 20 21 ALA C C 180.6 0.3 1 191 20 21 ALA CA C 55.5 0.3 1 192 20 21 ALA CB C 17.9 0.3 1 193 20 21 ALA N N 126.0 0.3 1 194 21 22 GLU H H 9.3 0.02 1 195 21 22 GLU HA H 4.33 0.02 1 196 21 22 GLU HB2 H 2.18 0.02 2 197 21 22 GLU HB3 H 2.08 0.02 2 198 21 22 GLU HG2 H 2.20 0.02 2 199 21 22 GLU HG3 H 2.23 0.02 2 200 21 22 GLU C C 176.4 0.3 1 201 21 22 GLU CA C 58.1 0.3 1 202 21 22 GLU CB C 29.0 0.3 1 203 21 22 GLU CG C 35.8 0.3 1 204 21 22 GLU N N 115.2 0.3 1 205 22 23 SER H H 8.02 0.02 1 206 22 23 SER HA H 4.41 0.02 1 207 22 23 SER HB2 H 3.90 0.02 1 208 22 23 SER HB3 H 3.90 0.02 1 209 22 23 SER C C 172 0.3 1 210 22 23 SER CA C 57.0 0.3 1 211 22 23 SER CB C 64.0 0.3 1 212 22 23 SER N N 114.8 0.3 1 213 23 24 THR H H 7.59 0.02 1 214 23 24 THR HA H 4.43 0.02 1 215 23 24 THR HB H 4.36 0.02 1 216 23 24 THR HG2 H 1.35 0.02 1 217 23 24 THR C C 174.4 0.3 1 218 23 24 THR CA C 62.7 0.3 1 219 23 24 THR CB C 69.3 0.3 1 220 23 24 THR CG2 C 21.5 0.3 1 221 23 24 THR N N 112.8 0.3 1 222 24 25 ASN H H 8.11 0.02 1 223 24 25 ASN HA H 5.41 0.02 1 224 24 25 ASN HB2 H 2.75 0.02 2 225 24 25 ASN HB3 H 2.93 0.02 2 226 24 25 ASN HD21 H 7.70 0.02 1 227 24 25 ASN HD22 H 6.90 0.02 1 228 24 25 ASN C C 173.4 0.3 1 229 24 25 ASN CA C 53.2 0.3 1 230 24 25 ASN CB C 38.3 0.3 1 231 24 25 ASN N N 120.2 0.3 1 232 24 25 ASN ND2 N 113.8 0.3 1 233 25 26 PHE H H 7.73 0.02 1 234 25 26 PHE HA H 5.26 0.02 1 235 25 26 PHE HB2 H 3.41 0.02 2 236 25 26 PHE HB3 H 3.34 0.02 2 237 25 26 PHE HD1 H 7.16 0.02 1 238 25 26 PHE HD2 H 7.16 0.02 1 239 25 26 PHE HE1 H 7.27 0.02 1 240 25 26 PHE HE2 H 7.27 0.02 1 241 25 26 PHE C C 173 0.3 1 242 25 26 PHE CA C 55.5 0.3 1 243 25 26 PHE CB C 40.4 0.3 1 244 25 26 PHE CD1 C 132.2 0.3 1 245 25 26 PHE CE1 C 130.8 0.3 1 246 25 26 PHE N N 118.2 0.3 1 247 26 27 THR H H 8.61 0.02 1 248 26 27 THR HA H 5.43 0.02 1 249 26 27 THR HB H 3.95 0.02 1 250 26 27 THR HG2 H 1.02 0.02 1 251 26 27 THR C C 173.6 0.3 1 252 26 27 THR CA C 60.5 0.3 1 253 26 27 THR CB C 70.8 0.3 1 254 26 27 THR CG2 C 20.9 0.3 1 255 26 27 THR N N 116.6 0.3 1 256 27 28 VAL H H 9.15 0.02 1 257 27 28 VAL HA H 4.08 0.02 1 258 27 28 VAL HB H 1.61 0.02 1 259 27 28 VAL HG1 H 0.69 0.02 1 260 27 28 VAL HG2 H 0.37 0.02 1 261 27 28 VAL C C 172.4 0.3 1 262 27 28 VAL CA C 61.3 0.3 1 263 27 28 VAL CB C 33.4 0.3 1 264 27 28 VAL CG1 C 19.6 0.3 1 265 27 28 VAL CG2 C 20.4 0.3 1 266 27 28 VAL N N 128.9 0.3 1 267 28 29 ASP H H 8.63 0.02 1 268 28 29 ASP HA H 5.00 0.02 1 269 28 29 ASP HB2 H 2.40 0.02 2 270 28 29 ASP HB3 H 3.00 0.02 2 271 28 29 ASP C C 175.5 0.3 1 272 28 29 ASP CA C 52.0 0.3 1 273 28 29 ASP CB C 41.8 0.3 1 274 28 29 ASP N N 127.8 0.3 1 275 29 30 LEU H H 9.56 0.02 1 276 29 30 LEU HA H 4.41 0.02 1 277 29 30 LEU HB2 H 1.69 0.02 1 278 29 30 LEU HB3 H 1.69 0.02 1 279 29 30 LEU HG H 1.27 0.02 1 280 29 30 LEU HD1 H 1.16 0.02 1 281 29 30 LEU HD2 H 0.69 0.02 1 282 29 30 LEU C C 176.7 0.3 1 283 29 30 LEU CA C 54.1 0.3 1 284 29 30 LEU CB C 40.6 0.3 1 285 29 30 LEU CG C 22.5 0.3 1 286 29 30 LEU CD1 C 21.8 0.3 1 287 29 30 LEU CD2 C 21.8 0.3 1 288 29 30 LEU N N 123.9 0.3 1 289 30 31 MET H H 9.17 0.02 1 290 30 31 MET HA H 4.04 0.02 1 291 30 31 MET HB2 H 2.26 0.02 2 292 30 31 MET HB3 H 2.56 0.02 2 293 30 31 MET HG2 H 2.48 0.02 1 294 30 31 MET HG3 H 2.48 0.02 1 295 30 31 MET HE H 2.19 0.02 1 296 30 31 MET C C 173.6 0.3 1 297 30 31 MET CA C 56.3 0.3 1 298 30 31 MET CB C 29.7 0.3 1 299 30 31 MET CG C 32.0 0.3 1 300 30 31 MET CE C 16.9 0.3 1 301 30 31 MET N N 116.6 0.3 1 302 31 32 GLU H H 7.66 0.02 1 303 31 32 GLU HA H 5.23 0.02 1 304 31 32 GLU HB2 H 2.07 0.02 2 305 31 32 GLU HB3 H 2.01 0.02 2 306 31 32 GLU HG2 H 2.34 0.02 2 307 31 32 GLU HG3 H 2.16 0.02 2 308 31 32 GLU C C 175.5 0.3 1 309 31 32 GLU CA C 55.5 0.3 1 310 31 32 GLU CB C 31.5 0.3 1 311 31 32 GLU CG C 37.0 0.3 1 312 31 32 GLU N N 119.6 0.3 1 313 32 33 ASN H H 8.33 0.02 1 314 32 33 ASN HA H 5.16 0.02 1 315 32 33 ASN HB2 H 2.42 0.02 1 316 32 33 ASN HB3 H 2.42 0.02 1 317 32 33 ASN HD21 H 7.27 0.02 1 318 32 33 ASN HD22 H 6.89 0.02 1 319 32 33 ASN C C 172.5 0.3 1 320 32 33 ASN CA C 52.2 0.3 1 321 32 33 ASN CB C 43.3 0.3 1 322 32 33 ASN N N 121.4 0.3 1 323 32 33 ASN ND2 N 114.6 0.3 1 324 33 34 ALA H H 9.06 0.02 1 325 33 34 ALA HA H 4.83 0.02 1 326 33 34 ALA HB H 1.49 0.02 1 327 33 34 ALA C C 177.7 0.3 1 328 33 34 ALA CA C 51.4 0.3 1 329 33 34 ALA CB C 19.6 0.3 1 330 33 34 ALA N N 126.1 0.3 1 331 34 35 ALA H H 8.93 0.02 1 332 34 35 ALA HA H 3.97 0.02 1 333 34 35 ALA HB H 1.41 0.02 1 334 34 35 ALA C C 179.7 0.3 1 335 34 35 ALA CA C 55.0 0.3 1 336 34 35 ALA CB C 17.9 0.3 1 337 34 35 ALA N N 127.0 0.3 1 338 35 36 LYS H H 8.66 0.02 1 339 35 36 LYS HA H 4.13 0.02 1 340 35 36 LYS HB2 H 1.91 0.02 1 341 35 36 LYS HB3 H 1.91 0.02 1 342 35 36 LYS HG2 H 1.44 0.02 1 343 35 36 LYS HG3 H 1.44 0.02 1 344 35 36 LYS HD2 H 1.70 0.02 1 345 35 36 LYS HD3 H 1.70 0.02 1 346 35 36 LYS C C 176.5 0.3 1 347 35 36 LYS CA C 57.3 0.3 1 348 35 36 LYS CB C 31.2 0.3 1 349 35 36 LYS CG C 24.4 0.3 1 350 35 36 LYS CD C 28.7 0.3 1 351 35 36 LYS N N 115.0 0.3 1 352 35 36 LYS NZ N 67.8 0.3 1 353 36 37 GLN H H 7.34 0.02 1 354 36 37 GLN HA H 4.09 0.02 1 355 36 37 GLN HB2 H 1.80 0.02 2 356 36 37 GLN HB3 H 1.64 0.02 2 357 36 37 GLN HG2 H 1.66 0.02 2 358 36 37 GLN HG3 H 2.12 0.02 2 359 36 37 GLN HE21 H 7.53 0.02 1 360 36 37 GLN HE22 H 7.12 0.02 1 361 36 37 GLN C C 175.4 0.3 1 362 36 37 GLN CA C 56.3 0.3 1 363 36 37 GLN CB C 28.7 0.3 1 364 36 37 GLN CG C 33.6 0.3 1 365 36 37 GLN N N 116.4 0.3 1 366 36 37 GLN NE2 N 111.6 0.3 1 367 37 38 PHE H H 7.39 0.02 1 368 37 38 PHE HA H 4.47 0.02 1 369 37 38 PHE HB2 H 3.24 0.02 2 370 37 38 PHE HB3 H 2.77 0.02 2 371 37 38 PHE HD1 H 7.30 0.02 1 372 37 38 PHE HD2 H 7.30 0.02 1 373 37 38 PHE HE1 H 6.92 0.02 1 374 37 38 PHE HE2 H 6.92 0.02 1 375 37 38 PHE HZ H 6.04 0.02 1 376 37 38 PHE CA C 55.6 0.3 1 377 37 38 PHE CB C 37.4 0.3 1 378 37 38 PHE CD1 C 132.5 0.3 1 379 37 38 PHE CE1 C 129.9 0.3 1 380 37 38 PHE CZ C 134.4 0.3 1 381 37 38 PHE N N 118.0 0.3 1 382 38 39 ASN H H 8.32 0.02 1 383 38 39 ASN HA H 4.65 0.02 1 384 38 39 ASN HB2 H 2.86 0.02 2 385 38 39 ASN HB3 H 2.77 0.02 2 386 38 39 ASN HD21 H 7.53 0.02 1 387 38 39 ASN HD22 H 6.80 0.02 1 388 38 39 ASN C C 173.6 0.3 1 389 38 39 ASN CA C 53.6 0.3 1 390 38 39 ASN CB C 38.4 0.3 1 391 38 39 ASN N N 119.4 0.3 1 392 38 39 ASN ND2 N 112.9 0.3 1 393 39 40 ASN H H 7.35 0.02 1 394 39 40 ASN HA H 4.77 0.02 1 395 39 40 ASN HB2 H 2.76 0.02 2 396 39 40 ASN HB3 H 2.61 0.02 2 397 39 40 ASN HD21 H 7.30 0.02 1 398 39 40 ASN HD22 H 6.90 0.02 1 399 39 40 ASN C C 173.8 0.3 1 400 39 40 ASN CA C 51.3 0.3 1 401 39 40 ASN CB C 41.4 0.3 1 402 39 40 ASN N N 113.6 0.3 1 403 39 40 ASN ND2 N 113.3 0.3 1 404 40 41 ILE H H 8.73 0.02 1 405 40 41 ILE HA H 3.22 0.02 1 406 40 41 ILE HB H 1.66 0.02 1 407 40 41 ILE HG12 H 1.60 0.02 2 408 40 41 ILE HG13 H 0.72 0.02 2 409 40 41 ILE HG2 H 0.71 0.02 1 410 40 41 ILE HD1 H 0.90 0.02 1 411 40 41 ILE C C 176.7 0.3 1 412 40 41 ILE CA C 63.9 0.3 1 413 40 41 ILE CB C 36.9 0.3 1 414 40 41 ILE CG1 C 28.4 0.3 1 415 40 41 ILE CG2 C 19.0 0.3 1 416 40 41 ILE CD1 C 12.9 0.3 1 417 40 41 ILE N N 122.8 0.3 1 418 41 42 GLY H H 8.80 0.02 1 419 41 42 GLY HA2 H 3.62 0.02 2 420 41 42 GLY HA3 H 4.48 0.02 2 421 41 42 GLY C C 173.3 0.3 1 422 41 42 GLY CA C 44.3 0.3 1 423 41 42 GLY N N 116.3 0.3 1 424 42 43 ALA H H 7.85 0.02 1 425 42 43 ALA HA H 4.54 0.02 1 426 42 43 ALA HB H 1.84 0.02 1 427 42 43 ALA C C 176.8 0.3 1 428 42 43 ALA CA C 52.7 0.3 1 429 42 43 ALA CB C 20.1 0.3 1 430 42 43 ALA N N 123.4 0.3 1 431 43 44 THR H H 8.18 0.02 1 432 43 44 THR HA H 6.03 0.02 1 433 43 44 THR HB H 4.34 0.02 1 434 43 44 THR HG2 H 1.27 0.02 1 435 43 44 THR C C 175.5 0.3 1 436 43 44 THR CA C 58.3 0.3 1 437 43 44 THR CB C 73.0 0.3 1 438 43 44 THR CG2 C 21.3 0.3 1 439 43 44 THR N N 108.9 0.3 1 440 44 45 THR H H 7.74 0.02 1 441 44 45 THR HA H 4.61 0.02 1 442 44 45 THR HB H 4.57 0.02 1 443 44 45 THR HG2 H 1.17 0.02 1 444 44 45 THR CA C 59.0 0.3 1 445 44 45 THR CB C 67.0 0.3 1 446 44 45 THR CG2 C 25.0 0.3 1 447 44 45 THR N N 110.1 0.3 1 448 45 46 PRO HA H 4.46 0.02 1 449 45 46 PRO HB2 H 2.44 0.02 1 450 45 46 PRO HB3 H 2.44 0.02 1 451 45 46 PRO HG2 H 1.89 0.02 1 452 45 46 PRO HG3 H 1.89 0.02 1 453 45 46 PRO HD2 H 3.81 0.02 2 454 45 46 PRO HD3 H 3.67 0.02 2 455 45 46 PRO C C 176.4 0.3 1 456 45 46 PRO CA C 62.5 0.3 1 457 45 46 PRO CB C 31.7 0.3 1 458 45 46 PRO CG C 31.6 0.3 1 459 45 46 PRO CD C 50.6 0.3 1 460 46 47 VAL H H 7.90 0.02 1 461 46 47 VAL HA H 4.18 0.02 1 462 46 47 VAL HB H 2.01 0.02 1 463 46 47 VAL HG1 H 0.70 0.02 1 464 46 47 VAL HG2 H 0.61 0.02 1 465 46 47 VAL C C 175.7 0.3 1 466 46 47 VAL CA C 61.8 0.3 1 467 46 47 VAL CB C 32.7 0.3 1 468 46 47 VAL CG1 C 22.8 0.3 1 469 46 47 VAL CG2 C 17.5 0.3 1 470 46 47 VAL N N 114.3 0.3 1 471 47 48 VAL H H 9.11 0.02 1 472 47 48 VAL HA H 4.84 0.02 1 473 47 48 VAL HB H 2.09 0.02 1 474 47 48 VAL HG1 H 1.15 0.02 1 475 47 48 VAL HG2 H 1.15 0.02 1 476 47 48 VAL CA C 59.0 0.3 1 477 47 48 VAL CB C 34.1 0.3 1 478 47 48 VAL CG1 C 22.4 0.3 1 479 47 48 VAL CG2 C 21.8 0.3 1 480 47 48 VAL N N 123.1 0.3 1 481 48 49 PRO HA H 5.01 0.02 1 482 48 49 PRO HB2 H 2.22 0.02 2 483 48 49 PRO HB3 H 1.88 0.02 2 484 48 49 PRO HG2 H 2.25 0.02 2 485 48 49 PRO HG3 H 2.17 0.02 2 486 48 49 PRO HD2 H 4.11 0.02 2 487 48 49 PRO HD3 H 3.99 0.02 2 488 48 49 PRO C C 176.3 0.3 1 489 48 49 PRO CA C 61.4 0.3 1 490 48 49 PRO CB C 32.8 0.3 1 491 48 49 PRO CG C 26.4 0.3 1 492 48 49 PRO CD C 51.1 0.3 1 493 49 50 PHE H H 8.27 0.02 1 494 49 50 PHE HA H 4.83 0.02 1 495 49 50 PHE HB2 H 3.27 0.02 1 496 49 50 PHE HB3 H 3.27 0.02 1 497 49 50 PHE HD1 H 7.04 0.02 1 498 49 50 PHE HD2 H 7.04 0.02 1 499 49 50 PHE HE1 H 6.77 0.02 1 500 49 50 PHE HE2 H 6.77 0.02 1 501 49 50 PHE HZ H 7.27 0.02 1 502 49 50 PHE C C 171.4 0.3 1 503 49 50 PHE CA C 56.7 0.3 1 504 49 50 PHE CB C 41.3 0.3 1 505 49 50 PHE CD1 C 132.1 0.3 1 506 49 50 PHE CE1 C 132.6 0.3 1 507 49 50 PHE CZ C 130.8 0.3 1 508 49 50 PHE N N 114.9 0.3 1 509 50 51 ARG H H 8.55 0.02 1 510 50 51 ARG HA H 5.61 0.02 1 511 50 51 ARG HB2 H 1.54 0.02 2 512 50 51 ARG HB3 H 1.65 0.02 2 513 50 51 ARG HG2 H 1.57 0.02 2 514 50 51 ARG HG3 H 1.34 0.02 2 515 50 51 ARG HD2 H 2.99 0.02 2 516 50 51 ARG HD3 H 2.94 0.02 2 517 50 51 ARG C C 174.5 0.3 1 518 50 51 ARG CA C 53.3 0.3 1 519 50 51 ARG CB C 33.7 0.3 1 520 50 51 ARG CG C 25.5 0.3 1 521 50 51 ARG CD C 43.3 0.3 1 522 50 51 ARG N N 118.1 0.3 1 523 51 52 ILE H H 8.84 0.02 1 524 51 52 ILE HA H 3.94 0.02 1 525 51 52 ILE HB H 1.62 0.02 1 526 51 52 ILE HG12 H 1.62 0.02 2 527 51 52 ILE HG13 H 0.90 0.02 2 528 51 52 ILE HG2 H 0.78 0.02 1 529 51 52 ILE HD1 H 0.07 0.02 1 530 51 52 ILE C C 172.9 0.3 1 531 51 52 ILE CA C 60.9 0.3 1 532 51 52 ILE CB C 41.8 0.3 1 533 51 52 ILE CG1 C 27.8 0.3 1 534 51 52 ILE CG2 C 16.8 0.3 1 535 51 52 ILE CD1 C 12.1 0.3 1 536 51 52 ILE N N 119.9 0.3 1 537 52 53 LEU H H 8.81 0.02 1 538 52 53 LEU HA H 4.73 0.02 1 539 52 53 LEU HB2 H 1.71 0.02 2 540 52 53 LEU HB3 H 1.18 0.02 2 541 52 53 LEU HG H 1.26 0.02 1 542 52 53 LEU HD1 H 0.76 0.02 1 543 52 53 LEU HD2 H 1.51 0.02 1 544 52 53 LEU C C 173.4 0.3 1 545 52 53 LEU CA C 53.8 0.3 1 546 52 53 LEU CB C 42.5 0.3 1 547 52 53 LEU CG C 27.2 0.3 1 548 52 53 LEU CD1 C 25.2 0.3 1 549 52 53 LEU CD2 C 19.4 0.3 1 550 52 53 LEU N N 129.8 0.3 1 551 53 54 LEU H H 8.89 0.02 1 552 53 54 LEU HA H 5.03 0.02 1 553 53 54 LEU HB2 H 2.05 0.02 2 554 53 54 LEU HB3 H 1.31 0.02 2 555 53 54 LEU HG H 1.04 0.02 1 556 53 54 LEU HD1 H 0.60 0.02 1 557 53 54 LEU HD2 H 0.86 0.02 1 558 53 54 LEU C C 175.1 0.3 1 559 53 54 LEU CA C 52.4 0.3 1 560 53 54 LEU CB C 41.0 0.3 1 561 53 54 LEU CG C 25.7 0.3 1 562 53 54 LEU CD1 C 23.2 0.3 1 563 53 54 LEU CD2 C 23.5 0.3 1 564 53 54 LEU N N 126.4 0.3 1 565 54 55 SER H H 8.13 0.02 1 566 54 55 SER HA H 4.38 0.02 1 567 54 55 SER HB2 H 3.58 0.02 2 568 54 55 SER HB3 H 3.92 0.02 2 569 54 55 SER CA C 55.5 0.3 1 570 54 55 SER CB C 64.2 0.3 1 571 54 55 SER N N 116.6 0.3 1 572 55 56 PRO HA H 4.45 0.02 1 573 55 56 PRO HB2 H 2.44 0.02 2 574 55 56 PRO HB3 H 1.93 0.02 2 575 55 56 PRO HG2 H 1.77 0.02 1 576 55 56 PRO HG3 H 1.77 0.02 1 577 55 56 PRO HD2 H 3.57 0.02 1 578 55 56 PRO HD3 H 3.57 0.02 1 579 55 56 PRO C C 175.7 0.3 1 580 55 56 PRO CA C 62.7 0.3 1 581 55 56 PRO CB C 34.7 0.3 1 582 55 56 PRO CG C 24.5 0.3 1 583 55 56 PRO CD C 49.6 0.3 1 584 56 57 CYS H H 8.56 0.02 1 585 56 57 CYS HA H 5.02 0.02 1 586 56 57 CYS HB2 H 2.92 0.02 2 587 56 57 CYS HB3 H 3.30 0.02 2 588 56 57 CYS C C 174.2 0.3 1 589 56 57 CYS CA C 55.9 0.3 1 590 56 57 CYS CB C 46.1 0.3 1 591 56 57 CYS N N 115.1 0.3 1 592 57 58 GLY H H 8.68 0.02 1 593 57 58 GLY HA2 H 4.16 0.02 1 594 57 58 GLY HA3 H 4.16 0.02 1 595 57 58 GLY C C 174.5 0.3 1 596 57 58 GLY CA C 44.4 0.3 1 597 57 58 GLY N N 108.4 0.3 1 598 58 59 ASN H H 8.8 0.02 1 599 58 59 ASN HA H 4.38 0.02 1 600 58 59 ASN HB2 H 2.89 0.02 2 601 58 59 ASN HB3 H 2.86 0.02 2 602 58 59 ASN HD21 H 7.57 0.02 1 603 58 59 ASN HD22 H 6.86 0.02 1 604 58 59 ASN C C 174.8 0.3 1 605 58 59 ASN CA C 54.5 0.3 1 606 58 59 ASN CB C 38.2 0.3 1 607 58 59 ASN N N 117.2 0.3 1 608 58 59 ASN ND2 N 112.1 0.3 1 609 59 60 ALA H H 8.44 0.02 1 610 59 60 ALA HA H 4.65 0.02 1 611 59 60 ALA HB H 1.21 0.02 1 612 59 60 ALA C C 176 0.3 1 613 59 60 ALA CA C 50.5 0.3 1 614 59 60 ALA CB C 18.9 0.3 1 615 59 60 ALA N N 121.0 0.3 1 616 60 61 VAL H H 6.71 0.02 1 617 60 61 VAL HA H 4.04 0.02 1 618 60 61 VAL HB H 1.84 0.02 1 619 60 61 VAL HG1 H 0.85 0.02 1 620 60 61 VAL HG2 H 0.94 0.02 1 621 60 61 VAL C C 173.2 0.3 1 622 60 61 VAL CA C 61.5 0.3 1 623 60 61 VAL CB C 32.6 0.3 1 624 60 61 VAL CG1 C 20.8 0.3 1 625 60 61 VAL CG2 C 22.2 0.3 1 626 60 61 VAL N N 116.7 0.3 1 627 61 62 SER H H 9.05 0.02 1 628 61 62 SER HA H 4.80 0.02 1 629 61 62 SER HB2 H 3.72 0.02 2 630 61 62 SER HB3 H 3.61 0.02 2 631 61 62 SER C C 174.3 0.3 1 632 61 62 SER CA C 58.1 0.3 1 633 61 62 SER CB C 64.6 0.3 1 634 61 62 SER N N 116.0 0.3 1 635 62 63 ALA H H 7.91 0.02 1 636 62 63 ALA HA H 5.21 0.02 1 637 62 63 ALA HB H 1.26 0.02 1 638 62 63 ALA C C 174.2 0.3 1 639 62 63 ALA CA C 51.8 0.3 1 640 62 63 ALA CB C 22.8 0.3 1 641 62 63 ALA N N 122.8 0.3 1 642 63 64 VAL H H 9.36 0.02 1 643 63 64 VAL HA H 5.62 0.02 1 644 63 64 VAL HB H 2.01 0.02 1 645 63 64 VAL HG1 H 0.87 0.02 1 646 63 64 VAL HG2 H 0.4 0.02 1 647 63 64 VAL C C 171.8 0.3 1 648 63 64 VAL CA C 58.1 0.3 1 649 63 64 VAL CB C 36.3 0.3 1 650 63 64 VAL CG1 C 20.1 0.3 1 651 63 64 VAL CG2 C 22.4 0.3 1 652 63 64 VAL N N 119.0 0.3 1 653 64 65 LYS H H 9.15 0.02 1 654 64 65 LYS HA H 4.73 0.02 1 655 64 65 LYS HB2 H 0.86 0.02 2 656 64 65 LYS HB3 H 1.06 0.02 2 657 64 65 LYS HD2 H 1.88 0.02 1 658 64 65 LYS HD3 H 1.88 0.02 1 659 64 65 LYS C C 175.5 0.3 1 660 64 65 LYS CA C 54.6 0.3 1 661 64 65 LYS CB C 34.6 0.3 1 662 64 65 LYS CD C 31.8 0.3 1 663 64 65 LYS N N 129.1 0.3 1 664 65 66 VAL H H 8.4 0.02 1 665 65 66 VAL HA H 4.79 0.02 1 666 65 66 VAL HB H 2.01 0.02 1 667 65 66 VAL HG1 H 0.48 0.02 1 668 65 66 VAL HG2 H 0.94 0.02 1 669 65 66 VAL C C 173.4 0.3 1 670 65 66 VAL CA C 60.2 0.3 1 671 65 66 VAL CB C 32.3 0.3 1 672 65 66 VAL CG1 C 20.6 0.3 1 673 65 66 VAL CG2 C 21.3 0.3 1 674 65 66 VAL N N 126.6 0.3 1 675 66 67 GLY H H 8.16 0.02 1 676 66 67 GLY HA2 H 4.55 0.02 2 677 66 67 GLY HA3 H 3.34 0.02 2 678 66 67 GLY C C 171.7 0.3 1 679 66 67 GLY CA C 43.2 0.3 1 680 66 67 GLY N N 113.5 0.3 1 681 67 68 PHE H H 8.28 0.02 1 682 67 68 PHE HA H 5.55 0.02 1 683 67 68 PHE HB2 H 2.64 0.02 2 684 67 68 PHE HB3 H 2.68 0.02 2 685 67 68 PHE HD1 H 6.94 0.02 1 686 67 68 PHE HD2 H 6.94 0.02 1 687 67 68 PHE HE1 H 6.78 0.02 1 688 67 68 PHE HE2 H 6.78 0.02 1 689 67 68 PHE C C 175.3 0.3 1 690 67 68 PHE CA C 56.4 0.3 1 691 67 68 PHE CB C 42.6 0.3 1 692 67 68 PHE CD1 C 131.0 0.3 1 693 67 68 PHE CE1 C 130.2 0.3 1 694 67 68 PHE N N 117.8 0.3 1 695 68 69 THR H H 9.44 0.02 1 696 68 69 THR HA H 5.17 0.02 1 697 68 69 THR HB H 4.22 0.02 1 698 68 69 THR HG2 H 1.14 0.02 1 699 68 69 THR C C 172.7 0.3 1 700 68 69 THR CA C 58.7 0.3 1 701 68 69 THR CB C 71.5 0.3 1 702 68 69 THR CG2 C 21.3 0.3 1 703 68 69 THR N N 117.3 0.3 1 704 69 70 GLY H H 8.56 0.02 1 705 69 70 GLY HA2 H 4.11 0.02 1 706 69 70 GLY HA3 H 4.11 0.02 1 707 69 70 GLY C C 171.5 0.3 1 708 69 70 GLY CA C 44.4 0.3 1 709 69 70 GLY N N 108.3 0.3 1 710 70 71 VAL H H 8.81 0.02 1 711 70 71 VAL HA H 3.90 0.02 1 712 70 71 VAL HB H 2.03 0.02 1 713 70 71 VAL HG1 H 1.05 0.02 1 714 70 71 VAL HG2 H 0.90 0.02 1 715 70 71 VAL C C 174.3 0.3 1 716 70 71 VAL CA C 62.9 0.3 1 717 70 71 VAL CB C 31.0 0.3 1 718 70 71 VAL CG1 C 23.4 0.3 1 719 70 71 VAL CG2 C 20.7 0.3 1 720 70 71 VAL N N 124.5 0.3 1 721 71 72 ALA H H 8.46 0.02 1 722 71 72 ALA HA H 4.75 0.02 1 723 71 72 ALA HB H 1.44 0.02 1 724 71 72 ALA C C 177.8 0.3 1 725 71 72 ALA CA C 50.3 0.3 1 726 71 72 ALA CB C 20.0 0.3 1 727 71 72 ALA N N 131.0 0.3 1 728 72 73 ASP H H 8.45 0.02 1 729 72 73 ASP HA H 4.25 0.02 1 730 72 73 ASP HB2 H 2.1 0.02 2 731 72 73 ASP HB3 H 3.13 0.02 2 732 72 73 ASP C C 175.4 0.3 1 733 72 73 ASP CA C 55.3 0.3 1 734 72 73 ASP CB C 43.7 0.3 1 735 72 73 ASP N N 123.8 0.3 1 736 73 74 SER H H 8.14 0.02 1 737 73 74 SER HA H 4.05 0.02 1 738 73 74 SER HB2 H 3.71 0.02 2 739 73 74 SER HB3 H 3.62 0.02 2 740 73 74 SER C C 174.3 0.3 1 741 73 74 SER CA C 60.2 0.3 1 742 73 74 SER CB C 62.8 0.3 1 743 73 74 SER N N 118.3 0.3 1 744 74 75 HIS H H 8.79 0.02 1 745 74 75 HIS HA H 4.57 0.02 1 746 74 75 HIS HB2 H 3.29 0.02 2 747 74 75 HIS HB3 H 3.19 0.02 2 748 74 75 HIS HD2 H 8.11 0.02 1 749 74 75 HIS HE1 H 7.30 0.02 1 750 74 75 HIS C C 175.3 0.3 1 751 74 75 HIS CA C 57.4 0.3 1 752 74 75 HIS CB C 29.5 0.3 1 753 74 75 HIS CD2 C 117.7 0.3 1 754 74 75 HIS CE1 C 138.7 0.3 1 755 74 75 HIS N N 120.9 0.3 1 756 74 75 HIS ND1 N 117.1 0.3 1 757 75 76 ASN H H 8.64 0.02 1 758 75 76 ASN HA H 4.68 0.02 1 759 75 76 ASN HB2 H 2.66 0.02 2 760 75 76 ASN HB3 H 2.78 0.02 2 761 75 76 ASN HD21 H 6.76 0.02 1 762 75 76 ASN HD22 H 7.43 0.02 1 763 75 76 ASN C C 173.9 0.3 1 764 75 76 ASN CA C 51.6 0.3 1 765 75 76 ASN CB C 38.0 0.3 1 766 75 76 ASN N N 119.0 0.3 1 767 75 76 ASN ND2 N 111.7 0.3 1 768 76 77 ALA H H 8.52 0.02 1 769 76 77 ALA HA H 4.48 0.02 1 770 76 77 ALA HB H 1.42 0.02 1 771 76 77 ALA C C 176.4 0.3 1 772 76 77 ALA CA C 53.2 0.3 1 773 76 77 ALA CB C 17.9 0.3 1 774 76 77 ALA N N 125.3 0.3 1 775 77 78 ASN H H 7.89 0.02 1 776 77 78 ASN HA H 4.62 0.02 1 777 77 78 ASN HB2 H 2.65 0.02 1 778 77 78 ASN HB3 H 2.65 0.02 1 779 77 78 ASN HD21 H 7.67 0.02 1 780 77 78 ASN HD22 H 7.02 0.02 1 781 77 78 ASN C C 175 0.3 1 782 77 78 ASN CA C 54.3 0.3 1 783 77 78 ASN CB C 39.5 0.3 1 784 77 78 ASN N N 111.8 0.3 1 785 77 78 ASN ND2 N 115.4 0.3 1 786 78 79 LEU H H 8.04 0.02 1 787 78 79 LEU HA H 4.57 0.02 1 788 78 79 LEU HB2 H 1.77 0.02 2 789 78 79 LEU HB3 H 1.13 0.02 2 790 78 79 LEU HG H 1.44 0.02 1 791 78 79 LEU HD1 H 0.65 0.02 1 792 78 79 LEU HD2 H 0.65 0.02 1 793 78 79 LEU C C 175 0.3 1 794 78 79 LEU CA C 52.1 0.3 1 795 78 79 LEU CB C 42.0 0.3 1 796 78 79 LEU CG C 25.8 0.3 1 797 78 79 LEU CD1 C 20.9 0.3 1 798 78 79 LEU CD2 C 20.8 0.3 1 799 78 79 LEU N N 117.4 0.3 1 800 79 80 LEU H H 9.03 0.02 1 801 79 80 LEU HA H 4.36 0.02 1 802 79 80 LEU HB2 H 1.82 0.02 2 803 79 80 LEU HB3 H 1.19 0.02 2 804 79 80 LEU HG H 1.68 0.02 1 805 79 80 LEU HD1 H 0.63 0.02 1 806 79 80 LEU HD2 H 1.05 0.02 1 807 79 80 LEU C C 175.4 0.3 1 808 79 80 LEU CA C 54.1 0.3 1 809 79 80 LEU CB C 43.4 0.3 1 810 79 80 LEU CG C 25.6 0.3 1 811 79 80 LEU CD1 C 26.9 0.3 1 812 79 80 LEU CD2 C 23.4 0.3 1 813 79 80 LEU N N 122.8 0.3 1 814 80 81 ALA H H 8.68 0.02 1 815 80 81 ALA HA H 4.59 0.02 1 816 80 81 ALA HB H 1.19 0.02 1 817 80 81 ALA C C 177.1 0.3 1 818 80 81 ALA CA C 50.9 0.3 1 819 80 81 ALA CB C 19.3 0.3 1 820 80 81 ALA N N 128 0.3 1 821 81 82 LEU H H 8.25 0.02 1 822 81 82 LEU HA H 4.34 0.02 1 823 81 82 LEU HB2 H 1.98 0.02 2 824 81 82 LEU HB3 H 1.60 0.02 2 825 81 82 LEU HG H 1.83 0.02 1 826 81 82 LEU HD1 H 0.78 0.02 1 827 81 82 LEU HD2 H 1.34 0.02 1 828 81 82 LEU C C 178.2 0.3 1 829 81 82 LEU CA C 54.2 0.3 1 830 81 82 LEU CB C 41.3 0.3 1 831 81 82 LEU CG C 28.8 0.3 1 832 81 82 LEU CD1 C 24.7 0.3 1 833 81 82 LEU CD2 C 23.6 0.3 1 834 81 82 LEU N N 119.3 0.3 1 835 82 83 GLU H H 8.62 0.02 1 836 82 83 GLU HA H 4.18 0.02 1 837 82 83 GLU HB2 H 2.00 0.02 1 838 82 83 GLU HB3 H 2.00 0.02 1 839 82 83 GLU HG2 H 2.30 0.02 2 840 82 83 GLU HG3 H 2.45 0.02 2 841 82 83 GLU C C 176.5 0.3 1 842 82 83 GLU CA C 56.6 0.3 1 843 82 83 GLU CB C 29.9 0.3 1 844 82 83 GLU CG C 36.3 0.3 1 845 82 83 GLU N N 121.5 0.3 1 846 83 84 ASN H H 8.82 0.02 1 847 83 84 ASN HA H 4.88 0.02 1 848 83 84 ASN HB2 H 2.91 0.02 2 849 83 84 ASN HB3 H 2.76 0.02 2 850 83 84 ASN HD21 H 7.54 0.02 1 851 83 84 ASN HD22 H 6.81 0.02 1 852 83 84 ASN C C 174.6 0.3 1 853 83 84 ASN CA C 52.5 0.3 1 854 83 84 ASN CB C 37.6 0.3 1 855 83 84 ASN N N 124.4 0.3 1 856 83 84 ASN ND2 N 111.6 0.3 1 857 84 85 THR H H 7.22 0.02 1 858 84 85 THR HA H 4.58 0.02 1 859 84 85 THR HB H 4.48 0.02 1 860 84 85 THR HG2 H 1.19 0.02 1 861 84 85 THR C C 175.1 0.3 1 862 84 85 THR CA C 59.6 0.3 1 863 84 85 THR CB C 70.3 0.3 1 864 84 85 THR CG2 C 21.3 0.3 1 865 84 85 THR N N 114.2 0.3 1 866 85 86 VAL H H 8.36 0.02 1 867 85 86 VAL HA H 3.99 0.02 1 868 85 86 VAL HB H 2.16 0.02 1 869 85 86 VAL HG1 H 1.06 0.02 1 870 85 86 VAL HG2 H 1.06 0.02 1 871 85 86 VAL CA C 64.3 0.3 1 872 85 86 VAL CB C 31.3 0.3 1 873 85 86 VAL CG1 C 20.6 0.3 1 874 85 86 VAL CG2 C 20.4 0.3 1 875 85 86 VAL N N 120.2 0.3 1 876 86 87 SER H H 8.29 0.02 1 877 86 87 SER HA H 4.52 0.02 1 878 86 87 SER HB2 H 4.19 0.02 2 879 86 87 SER HB3 H 4.11 0.02 2 880 86 87 SER C C 173.7 0.3 1 881 86 87 SER CA C 57.8 0.3 1 882 86 87 SER CB C 62.5 0.3 1 883 86 87 SER N N 115.4 0.3 1 884 87 88 ALA H H 7.57 0.02 1 885 87 88 ALA HA H 4.51 0.02 1 886 87 88 ALA HB H 1.72 0.02 1 887 87 88 ALA CA C 51.9 0.3 1 888 87 88 ALA CB C 21.0 0.3 1 889 87 88 ALA N N 124.6 0.3 1 890 88 89 ALA H H 7.96 0.02 1 891 88 89 ALA HA H 3.94 0.02 1 892 88 89 ALA HB H 0.96 0.02 1 893 88 89 ALA C C 174.5 0.3 1 894 88 89 ALA CA C 51.3 0.3 1 895 88 89 ALA CB C 19.0 0.3 1 896 88 89 ALA N N 123.7 0.3 1 897 89 90 SER H H 7.78 0.02 1 898 89 90 SER HA H 3.78 0.02 1 899 89 90 SER HB2 H 3.70 0.02 2 900 89 90 SER HB3 H 3.78 0.02 2 901 89 90 SER C C 172.8 0.3 1 902 89 90 SER CA C 57.3 0.3 1 903 89 90 SER CB C 65.2 0.3 1 904 89 90 SER N N 110.8 0.3 1 905 90 91 GLY H H 8.82 0.02 1 906 90 91 GLY HA2 H 3.41 0.02 2 907 90 91 GLY HA3 H 4.27 0.02 2 908 90 91 GLY C C 172.7 0.3 1 909 90 91 GLY CA C 45.0 0.3 1 910 90 91 GLY N N 109.5 0.3 1 911 91 92 LEU H H 7.00 0.02 1 912 91 92 LEU HA H 5.08 0.02 1 913 91 92 LEU HB2 H 1.16 0.02 2 914 91 92 LEU HB3 H 1.12 0.02 2 915 91 92 LEU HG H 0.85 0.02 1 916 91 92 LEU HD1 H 0.40 0.02 1 917 91 92 LEU HD2 H -0.04 0.02 1 918 91 92 LEU C C 174.4 0.3 1 919 91 92 LEU CA C 52.5 0.3 1 920 91 92 LEU CB C 46.6 0.3 1 921 91 92 LEU CG C 24.8 0.3 1 922 91 92 LEU CD1 C 27.4 0.3 1 923 91 92 LEU CD2 C 24.2 0.3 1 924 91 92 LEU N N 116.3 0.3 1 925 92 93 GLY H H 8.48 0.02 1 926 92 93 GLY HA2 H 4.57 0.02 2 927 92 93 GLY HA3 H 3.38 0.02 2 928 92 93 GLY C C 170.6 0.3 1 929 92 93 GLY CA C 43.1 0.3 1 930 92 93 GLY N N 105.5 0.3 1 931 93 94 ILE H H 8.92 0.02 1 932 93 94 ILE HA H 4.61 0.02 1 933 93 94 ILE HB H 1.67 0.02 1 934 93 94 ILE HG12 H 0.67 0.02 2 935 93 94 ILE HG13 H 1.24 0.02 2 936 93 94 ILE HG2 H 0.74 0.02 1 937 93 94 ILE HD1 H 0.49 0.02 1 938 93 94 ILE C C 173.1 0.3 1 939 93 94 ILE CA C 60.2 0.3 1 940 93 94 ILE CB C 39.4 0.3 1 941 93 94 ILE CG1 C 28.2 0.3 1 942 93 94 ILE CG2 C 17.2 0.3 1 943 93 94 ILE CD1 C 15.2 0.3 1 944 93 94 ILE N N 120.0 0.3 1 945 94 95 GLN H H 9.31 0.02 1 946 94 95 GLN HA H 4.54 0.02 1 947 94 95 GLN HB2 H 2.08 0.02 2 948 94 95 GLN HB3 H 1.38 0.02 2 949 94 95 GLN HG2 H 2.36 0.02 1 950 94 95 GLN HG3 H 2.36 0.02 1 951 94 95 GLN HE21 H 7.88 0.02 1 952 94 95 GLN HE22 H 7.07 0.02 1 953 94 95 GLN C C 173.1 0.3 1 954 94 95 GLN CA C 53.6 0.3 1 955 94 95 GLN CB C 31.7 0.3 1 956 94 95 GLN CG C 34.0 0.3 1 957 94 95 GLN N N 129.9 0.3 1 958 94 95 GLN NE2 N 113.1 0.3 1 959 95 96 LEU H H 8.88 0.02 1 960 95 96 LEU HA H 5.16 0.02 1 961 95 96 LEU HB2 H 1.74 0.02 2 962 95 96 LEU HB3 H 0.89 0.02 2 963 95 96 LEU HG H 1.37 0.02 1 964 95 96 LEU HD1 H 0.23 0.02 1 965 95 96 LEU HD2 H 0.51 0.02 1 966 95 96 LEU C C 175.4 0.3 1 967 95 96 LEU CA C 52.8 0.3 1 968 95 96 LEU CB C 42.3 0.3 1 969 95 96 LEU CG C 26.4 0.3 1 970 95 96 LEU CD1 C 24.2 0.3 1 971 95 96 LEU CD2 C 22.5 0.3 1 972 95 96 LEU N N 127.5 0.3 1 973 96 97 LEU H H 9.19 0.02 1 974 96 97 LEU HA H 5.26 0.02 1 975 96 97 LEU HB2 H 1.35 0.02 2 976 96 97 LEU HB3 H 1.71 0.02 2 977 96 97 LEU HG H 1.31 0.02 1 978 96 97 LEU HD1 H 0.55 0.02 1 979 96 97 LEU HD2 H 0.48 0.02 1 980 96 97 LEU C C 175.8 0.3 1 981 96 97 LEU CA C 52.4 0.3 1 982 96 97 LEU CB C 46.2 0.3 1 983 96 97 LEU CG C 26.7 0.3 1 984 96 97 LEU CD1 C 25.1 0.3 1 985 96 97 LEU CD2 C 23.1 0.3 1 986 96 97 LEU N N 119.8 0.3 1 987 97 98 ASN H H 8.63 0.02 1 988 97 98 ASN HA H 4.93 0.02 1 989 97 98 ASN HB2 H 3.77 0.02 2 990 97 98 ASN HB3 H 2.97 0.02 2 991 97 98 ASN HD21 H 7.30 0.02 1 992 97 98 ASN HD22 H 7.84 0.02 1 993 97 98 ASN C C 176.2 0.3 1 994 97 98 ASN CA C 50.4 0.3 1 995 97 98 ASN CB C 38.4 0.3 1 996 97 98 ASN N N 117.1 0.3 1 997 97 98 ASN ND2 N 112.1 0.3 1 998 98 99 GLU H H 8.19 0.02 1 999 98 99 GLU HA H 3.77 0.02 1 1000 98 99 GLU HB2 H 2.12 0.02 2 1001 98 99 GLU HB3 H 1.97 0.02 2 1002 98 99 GLU HG2 H 2.22 0.02 2 1003 98 99 GLU HG3 H 2.29 0.02 2 1004 98 99 GLU C C 176.5 0.3 1 1005 98 99 GLU CA C 58.8 0.3 1 1006 98 99 GLU CB C 28.7 0.3 1 1007 98 99 GLU CG C 35.7 0.3 1 1008 98 99 GLU N N 118 0.3 1 1009 99 100 GLN H H 7.33 0.02 1 1010 99 100 GLN HA H 4.37 0.02 1 1011 99 100 GLN HB2 H 2.00 0.02 2 1012 99 100 GLN HB3 H 2.32 0.02 2 1013 99 100 GLN HG2 H 2.36 0.02 2 1014 99 100 GLN HG3 H 2.44 0.02 2 1015 99 100 GLN HE21 H 7.47 0.02 1 1016 99 100 GLN HE22 H 6.95 0.02 1 1017 99 100 GLN C C 174.1 0.3 1 1018 99 100 GLN CA C 55.5 0.3 1 1019 99 100 GLN CB C 27.7 0.3 1 1020 99 100 GLN CG C 34.3 0.3 1 1021 99 100 GLN N N 116.9 0.3 1 1022 99 100 GLN NE2 N 112.9 0.3 1 1023 100 101 GLN H H 8.59 0.02 1 1024 100 101 GLN HA H 3.46 0.02 1 1025 100 101 GLN HB2 H 2.06 0.02 2 1026 100 101 GLN HB3 H 2.18 0.02 2 1027 100 101 GLN HG2 H 2.04 0.02 2 1028 100 101 GLN HG3 H 1.43 0.02 2 1029 100 101 GLN HE21 H 6.36 0.02 1 1030 100 101 GLN HE22 H 6.31 0.02 1 1031 100 101 GLN C C 173.2 0.3 1 1032 100 101 GLN CA C 57.8 0.3 1 1033 100 101 GLN CB C 23.9 0.3 1 1034 100 101 GLN CG C 34.7 0.3 1 1035 100 101 GLN N N 111.8 0.3 1 1036 100 101 GLN NE2 N 108.9 0.3 1 1037 101 102 ASN H H 7.90 0.02 1 1038 101 102 ASN HA H 5.02 0.02 1 1039 101 102 ASN HB2 H 2.63 0.02 2 1040 101 102 ASN HB3 H 2.77 0.02 2 1041 101 102 ASN HD21 H 7.47 0.02 1 1042 101 102 ASN HD22 H 6.95 0.02 1 1043 101 102 ASN C C 174.6 0.3 1 1044 101 102 ASN CA C 51.1 0.3 1 1045 101 102 ASN CB C 39.5 0.3 1 1046 101 102 ASN N N 115.8 0.3 1 1047 101 102 ASN ND2 N 113.0 0.3 1 1048 102 103 GLN H H 8.69 0.02 1 1049 102 103 GLN HA H 4.23 0.02 1 1050 102 103 GLN HB2 H 1.98 0.02 2 1051 102 103 GLN HB3 H 2.05 0.02 2 1052 102 103 GLN HG2 H 2.16 0.02 1 1053 102 103 GLN HG3 H 2.16 0.02 1 1054 102 103 GLN HE21 H 7.88 0.02 1 1055 102 103 GLN HE22 H 7.07 0.02 1 1056 102 103 GLN C C 175 0.3 1 1057 102 103 GLN CA C 56.7 0.3 1 1058 102 103 GLN CB C 30.4 0.3 1 1059 102 103 GLN CG C 34.2 0.3 1 1060 102 103 GLN N N 122.5 0.3 1 1061 102 103 GLN NE2 N 113.0 0.3 1 1062 103 104 ILE H H 8.97 0.02 1 1063 103 104 ILE HA H 4.60 0.02 1 1064 103 104 ILE HB H 1.78 0.02 1 1065 103 104 ILE HG13 H 1.20 0.02 1 1066 103 104 ILE HG2 H 1.10 0.02 1 1067 103 104 ILE HD1 H 1.12 0.02 1 1068 103 104 ILE CA C 57.8 0.3 1 1069 103 104 ILE CB C 38.8 0.3 1 1070 103 104 ILE CG1 C 26.8 0.3 1 1071 103 104 ILE CG2 C 17.3 0.3 1 1072 103 104 ILE CD1 C 15.0 0.3 1 1073 103 104 ILE N N 130.0 0.3 1 1074 104 105 PRO HA H 4.38 0.02 1 1075 104 105 PRO HB2 H 2.44 0.02 2 1076 104 105 PRO HB3 H 1.96 0.02 2 1077 104 105 PRO HG2 H 2.16 0.02 1 1078 104 105 PRO HG3 H 2.16 0.02 1 1079 104 105 PRO HD2 H 3.68 0.02 2 1080 104 105 PRO HD3 H 4.01 0.02 2 1081 104 105 PRO C C 176.2 0.3 1 1082 104 105 PRO CA C 61.8 0.3 1 1083 104 105 PRO CB C 31.1 0.3 1 1084 104 105 PRO CG C 27.2 0.3 1 1085 104 105 PRO CD C 50.5 0.3 1 1086 105 106 LEU H H 7.91 0.02 1 1087 105 106 LEU HA H 3.99 0.02 1 1088 105 106 LEU HB2 H 1.61 0.02 2 1089 105 106 LEU HB3 H 1.20 0.02 2 1090 105 106 LEU HG H 1.50 0.02 1 1091 105 106 LEU HD1 H 0.60 0.02 1 1092 105 106 LEU HD2 H 0.60 0.02 1 1093 105 106 LEU C C 176.9 0.3 1 1094 105 106 LEU CA C 54.8 0.3 1 1095 105 106 LEU CB C 42.1 0.3 1 1096 105 106 LEU CG C 26.4 0.3 1 1097 105 106 LEU CD1 C 25.6 0.3 1 1098 105 106 LEU CD2 C 23.2 0.3 1 1099 105 106 LEU N N 127.1 0.3 1 1100 106 107 ASN H H 8.97 0.02 1 1101 106 107 ASN HA H 4.43 0.02 1 1102 106 107 ASN HB2 H 3.23 0.02 2 1103 106 107 ASN HB3 H 3.00 0.02 2 1104 106 107 ASN HD21 H 7.58 0.02 1 1105 106 107 ASN HD22 H 7.71 0.02 1 1106 106 107 ASN C C 174 0.3 1 1107 106 107 ASN CA C 54.5 0.3 1 1108 106 107 ASN CB C 36.3 0.3 1 1109 106 107 ASN N N 117.7 0.3 1 1110 106 107 ASN ND2 N 114.4 0.3 1 1111 107 108 ALA H H 7.47 0.02 1 1112 107 108 ALA HA H 4.46 0.02 1 1113 107 108 ALA HB H 1.38 0.02 1 1114 107 108 ALA CA C 50.4 0.3 1 1115 107 108 ALA CB C 18.1 0.3 1 1116 107 108 ALA N N 122.3 0.3 1 1117 108 109 PRO HA H 4.43 0.02 1 1118 108 109 PRO HB2 H 2.33 0.02 1 1119 108 109 PRO HB3 H 2.33 0.02 1 1120 108 109 PRO HG2 H 2.09 0.02 1 1121 108 109 PRO HG3 H 2.09 0.02 1 1122 108 109 PRO HD2 H 3.60 0.02 2 1123 108 109 PRO HD3 H 3.78 0.02 2 1124 108 109 PRO CA C 62.0 0.3 1 1125 108 109 PRO CB C 31.6 0.3 1 1126 108 109 PRO CG C 31.6 0.3 1 1127 108 109 PRO CD C 49.7 0.3 1 1128 109 110 SER H H 8.62 0.02 1 1129 109 110 SER HA H 4.59 0.02 1 1130 109 110 SER HB2 H 3.83 0.02 2 1131 109 110 SER HB3 H 3.80 0.02 2 1132 109 110 SER CA C 61.4 0.3 1 1133 109 110 SER CB C 61.9 0.3 1 1134 109 110 SER N N 116.5 0.3 1 1135 110 111 SER H H 8.09 0.02 1 1136 110 111 SER HA H 4.09 0.02 1 1137 110 111 SER HB2 H 3.84 0.02 2 1138 110 111 SER HB3 H 3.88 0.02 2 1139 110 111 SER C C 174.3 0.3 1 1140 110 111 SER CA C 59.4 0.3 1 1141 110 111 SER CB C 61.9 0.3 1 1142 110 111 SER N N 113.9 0.3 1 1143 111 112 ALA H H 7.82 0.02 1 1144 111 112 ALA HA H 4.48 0.02 1 1145 111 112 ALA HB H 1.48 0.02 1 1146 111 112 ALA C C 176.5 0.3 1 1147 111 112 ALA CA C 51.4 0.3 1 1148 111 112 ALA CB C 19.7 0.3 1 1149 111 112 ALA N N 124.0 0.3 1 1150 112 113 LEU H H 7.17 0.02 1 1151 112 113 LEU HA H 4.55 0.02 1 1152 112 113 LEU HB2 H 1.31 0.02 2 1153 112 113 LEU HB3 H 1.50 0.02 2 1154 112 113 LEU HG H 1.66 0.02 1 1155 112 113 LEU HD1 H 0.68 0.02 1 1156 112 113 LEU HD2 H 0.96 0.02 1 1157 112 113 LEU C C 175.9 0.3 1 1158 112 113 LEU CA C 52.9 0.3 1 1159 112 113 LEU CB C 43.1 0.3 1 1160 112 113 LEU CG C 25.7 0.3 1 1161 112 113 LEU CD1 C 24.9 0.3 1 1162 112 113 LEU CD2 C 21.8 0.3 1 1163 112 113 LEU N N 119.5 0.3 1 1164 113 114 SER H H 8.59 0.02 1 1165 113 114 SER HA H 4.61 0.02 1 1166 113 114 SER HB2 H 3.83 0.02 2 1167 113 114 SER HB3 H 3.93 0.02 2 1168 113 114 SER C C 173.5 0.3 1 1169 113 114 SER CA C 56.8 0.3 1 1170 113 114 SER CB C 64.4 0.3 1 1171 113 114 SER N N 116.4 0.3 1 1172 114 115 TRP H H 8.48 0.02 1 1173 114 115 TRP HA H 4.48 0.02 1 1174 114 115 TRP HB2 H 3.08 0.02 2 1175 114 115 TRP HB3 H 2.98 0.02 2 1176 114 115 TRP HD1 H 7.37 0.02 1 1177 114 115 TRP HE1 H 10.09 0.02 1 1178 114 115 TRP HE3 H 7.00 0.02 1 1179 114 115 TRP HZ3 H 7.03 0.02 1 1180 114 115 TRP HH2 H 7.12 0.02 1 1181 114 115 TRP C C 176.7 0.3 1 1182 114 115 TRP CA C 57.0 0.3 1 1183 114 115 TRP CB C 30.5 0.3 1 1184 114 115 TRP CD1 C 127.7 0.3 1 1185 114 115 TRP CE3 C 119.5 0.3 1 1186 114 115 TRP CZ3 C 127.9 0.3 1 1187 114 115 TRP CH2 C 122.3 0.3 1 1188 114 115 TRP N N 122.4 0.3 1 1189 114 115 TRP NE1 N 128.9 0.3 1 1190 115 116 THR H H 9.76 0.02 1 1191 115 116 THR HA H 4.64 0.02 1 1192 115 116 THR HB H 4.20 0.02 1 1193 115 116 THR HG2 H 1.30 0.02 1 1194 115 116 THR C C 174 0.3 1 1195 115 116 THR CA C 62.1 0.3 1 1196 115 116 THR CB C 69.5 0.3 1 1197 115 116 THR CG2 C 21.3 0.3 1 1198 115 116 THR N N 123.2 0.3 1 1199 116 117 THR H H 8.81 0.02 1 1200 116 117 THR HA H 4.23 0.02 1 1201 116 117 THR HB H 4.13 0.02 1 1202 116 117 THR HG2 H 1.33 0.02 1 1203 116 117 THR C C 172.5 0.3 1 1204 116 117 THR CA C 64.0 0.3 1 1205 116 117 THR CB C 68.8 0.3 1 1206 116 117 THR CG2 C 22.0 0.3 1 1207 116 117 THR N N 124.2 0.3 1 1208 117 118 LEU H H 7.85 0.02 1 1209 117 118 LEU HA H 4.61 0.02 1 1210 117 118 LEU HB2 H 1.16 0.02 2 1211 117 118 LEU HB3 H 1.10 0.02 2 1212 117 118 LEU HG H 1.66 0.02 1 1213 117 118 LEU HD1 H 0.92 0.02 1 1214 117 118 LEU HD2 H 0.79 0.02 1 1215 117 118 LEU C C 175.1 0.3 1 1216 117 118 LEU CA C 52.1 0.3 1 1217 117 118 LEU CB C 45.4 0.3 1 1218 117 118 LEU CG C 26.3 0.3 1 1219 117 118 LEU CD1 C 26.8 0.3 1 1220 117 118 LEU CD2 C 23.0 0.3 1 1221 117 118 LEU N N 124.2 0.3 1 1222 118 119 THR H H 9.35 0.02 1 1223 118 119 THR HA H 4.64 0.02 1 1224 118 119 THR HB H 3.98 0.02 1 1225 118 119 THR HG2 H 1.23 0.02 1 1226 118 119 THR CA C 59.4 0.3 1 1227 118 119 THR CB C 69.2 0.3 1 1228 118 119 THR CG2 C 21.3 0.3 1 1229 118 119 THR N N 119.4 0.3 1 1230 119 120 PRO HA H 4.22 0.02 1 1231 119 120 PRO HB2 H 2.46 0.02 1 1232 119 120 PRO HB3 H 2.46 0.02 1 1233 119 120 PRO HG2 H 1.90 0.02 1 1234 119 120 PRO HG3 H 1.90 0.02 1 1235 119 120 PRO HD2 H 3.84 0.02 2 1236 119 120 PRO HD3 H 4.05 0.02 2 1237 119 120 PRO C C 177.7 0.3 1 1238 119 120 PRO CA C 62.4 0.3 1 1239 119 120 PRO CB C 31.7 0.3 1 1240 119 120 PRO CG C 31.7 0.3 1 1241 119 120 PRO CD C 51.0 0.3 1 1242 120 121 GLY H H 7.44 0.02 1 1243 120 121 GLY HA2 H 3.59 0.02 2 1244 120 121 GLY HA3 H 3.94 0.02 2 1245 120 121 GLY C C 172.7 0.3 1 1246 120 121 GLY CA C 45.7 0.3 1 1247 120 121 GLY N N 106.4 0.3 1 1248 121 122 LYS H H 6.98 0.02 1 1249 121 122 LYS HA H 4.90 0.02 1 1250 121 122 LYS HB2 H 1.31 0.02 2 1251 121 122 LYS HB3 H 1.83 0.02 2 1252 121 122 LYS HG2 H 1.75 0.02 2 1253 121 122 LYS HG3 H 1.63 0.02 2 1254 121 122 LYS HD2 H 2.03 0.02 2 1255 121 122 LYS HD3 H 2.10 0.02 2 1256 121 122 LYS CA C 52.4 0.3 1 1257 121 122 LYS CB C 34.1 0.3 1 1258 121 122 LYS CG C 28.4 0.3 1 1259 121 122 LYS CD C 27.7 0.3 1 1260 121 122 LYS N N 119.3 0.3 1 1261 122 123 PRO HA H 4.89 0.02 1 1262 122 123 PRO HB2 H 2.29 0.02 1 1263 122 123 PRO HB3 H 2.29 0.02 1 1264 122 123 PRO HG2 H 1.85 0.02 1 1265 122 123 PRO HG3 H 1.85 0.02 1 1266 122 123 PRO HD2 H 3.80 0.02 2 1267 122 123 PRO HD3 H 3.58 0.02 2 1268 122 123 PRO C C 177 0.3 1 1269 122 123 PRO CA C 61.8 0.3 1 1270 122 123 PRO CB C 31.7 0.3 1 1271 122 123 PRO CG C 31.7 0.3 1 1272 122 123 PRO CD C 49.8 0.3 1 1273 123 124 ASN H H 9.44 0.02 1 1274 123 124 ASN HA H 5.08 0.02 1 1275 123 124 ASN HB2 H 2.59 0.02 2 1276 123 124 ASN HB3 H 2.29 0.02 2 1277 123 124 ASN HD21 H 7.61 0.02 1 1278 123 124 ASN HD22 H 6.87 0.02 1 1279 123 124 ASN C C 172.5 0.3 1 1280 123 124 ASN CA C 52.4 0.3 1 1281 123 124 ASN CB C 45.1 0.3 1 1282 123 124 ASN N N 121.2 0.3 1 1283 123 124 ASN ND2 N 112.7 0.3 1 1284 124 125 THR H H 8.83 0.02 1 1285 124 125 THR HA H 4.59 0.02 1 1286 124 125 THR HB H 3.89 0.02 1 1287 124 125 THR HG2 H 0.98 0.02 1 1288 124 125 THR C C 172.4 0.3 1 1289 124 125 THR CA C 61.8 0.3 1 1290 124 125 THR CB C 69.1 0.3 1 1291 124 125 THR CG2 C 22.0 0.3 1 1292 124 125 THR N N 119.4 0.3 1 1293 125 126 LEU H H 9.05 0.02 1 1294 125 126 LEU HA H 4.49 0.02 1 1295 125 126 LEU HB2 H 1.92 0.02 2 1296 125 126 LEU HB3 H 1.36 0.02 2 1297 125 126 LEU HG H 1.66 0.02 1 1298 125 126 LEU HD1 H 0.89 0.02 1 1299 125 126 LEU HD2 H 0.79 0.02 1 1300 125 126 LEU C C 174 0.3 1 1301 125 126 LEU CA C 52.8 0.3 1 1302 125 126 LEU CB C 43.2 0.3 1 1303 125 126 LEU CG C 27.0 0.3 1 1304 125 126 LEU CD1 C 25.5 0.3 1 1305 125 126 LEU CD2 C 23.2 0.3 1 1306 125 126 LEU N N 128.5 0.3 1 1307 126 127 ASN H H 8.10 0.02 1 1308 126 127 ASN HA H 4.49 0.02 1 1309 126 127 ASN HB2 H 2.53 0.02 2 1310 126 127 ASN HB3 H 2.27 0.02 2 1311 126 127 ASN HD21 H 7.30 0.02 1 1312 126 127 ASN HD22 H 6.51 0.02 1 1313 126 127 ASN C C 171.9 0.3 1 1314 126 127 ASN CA C 52.8 0.3 1 1315 126 127 ASN CB C 40.6 0.3 1 1316 126 127 ASN N N 121.1 0.3 1 1317 126 127 ASN ND2 N 113.7 0.3 1 1318 127 128 PHE H H 7.93 0.02 1 1319 127 128 PHE HA H 4.41 0.02 1 1320 127 128 PHE HB2 H 2.62 0.02 2 1321 127 128 PHE HB3 H 0.31 0.02 2 1322 127 128 PHE HD1 H 6.89 0.02 1 1323 127 128 PHE HD2 H 6.89 0.02 1 1324 127 128 PHE HE1 H 7.13 0.02 1 1325 127 128 PHE HE2 H 7.13 0.02 1 1326 127 128 PHE HZ H 7.24 0.02 1 1327 127 128 PHE C C 173.7 0.3 1 1328 127 128 PHE CA C 55.3 0.3 1 1329 127 128 PHE CB C 44.1 0.3 1 1330 127 128 PHE CD1 C 131.5 0.3 1 1331 127 128 PHE CE1 C 130.3 0.3 1 1332 127 128 PHE CZ C 130.6 0.3 1 1333 127 128 PHE N N 117.2 0.3 1 1334 128 129 TYR H H 8.57 0.02 1 1335 128 129 TYR HA H 5.45 0.02 1 1336 128 129 TYR HB2 H 2.51 0.02 2 1337 128 129 TYR HB3 H 2.77 0.02 2 1338 128 129 TYR HD1 H 6.79 0.02 1 1339 128 129 TYR HD2 H 6.79 0.02 1 1340 128 129 TYR HE1 H 6.83 0.02 1 1341 128 129 TYR HE2 H 6.83 0.02 1 1342 128 129 TYR C C 173.5 0.3 1 1343 128 129 TYR CA C 56.0 0.3 1 1344 128 129 TYR CB C 43.5 0.3 1 1345 128 129 TYR CD1 C 133.1 0.3 1 1346 128 129 TYR CE1 C 117.8 0.3 1 1347 128 129 TYR N N 114.8 0.3 1 1348 129 130 ALA H H 9.31 0.02 1 1349 129 130 ALA HA H 5.76 0.02 1 1350 129 130 ALA HB H 1.27 0.02 1 1351 129 130 ALA C C 175.5 0.3 1 1352 129 130 ALA CA C 49.3 0.3 1 1353 129 130 ALA CB C 22.5 0.3 1 1354 129 130 ALA N N 121.6 0.3 1 1355 130 131 ARG H H 8.66 0.02 1 1356 130 131 ARG HA H 5.01 0.02 1 1357 130 131 ARG HB2 H 1.88 0.02 2 1358 130 131 ARG HB3 H 2.15 0.02 2 1359 130 131 ARG HG2 H 1.43 0.02 1 1360 130 131 ARG HG3 H 1.43 0.02 1 1361 130 131 ARG HD2 H 3.00 0.02 1 1362 130 131 ARG HD3 H 3.00 0.02 1 1363 130 131 ARG C C 173 0.3 1 1364 130 131 ARG CA C 54.2 0.3 1 1365 130 131 ARG CB C 32.3 0.3 1 1366 130 131 ARG CG C 24.3 0.3 1 1367 130 131 ARG CD C 41.7 0.3 1 1368 130 131 ARG N N 112.6 0.3 1 1369 131 132 LEU H H 7.71 0.02 1 1370 131 132 LEU HA H 4.98 0.02 1 1371 131 132 LEU HB2 H 1.26 0.02 2 1372 131 132 LEU HB3 H 2.28 0.02 2 1373 131 132 LEU HG H 1.62 0.02 1 1374 131 132 LEU HD1 H 0.85 0.02 1 1375 131 132 LEU HD2 H 0.63 0.02 1 1376 131 132 LEU C C 175.2 0.3 1 1377 131 132 LEU CA C 53.4 0.3 1 1378 131 132 LEU CB C 43.7 0.3 1 1379 131 132 LEU CG C 26.4 0.3 1 1380 131 132 LEU CD1 C 24.8 0.3 1 1381 131 132 LEU CD2 C 23.6 0.3 1 1382 131 132 LEU N N 118.7 0.3 1 1383 132 133 MET H H 8.58 0.02 1 1384 132 133 MET HA H 5.30 0.02 1 1385 132 133 MET HB2 H 1.71 0.02 2 1386 132 133 MET HB3 H 1.64 0.02 2 1387 132 133 MET HG2 H 2.16 0.02 1 1388 132 133 MET HG3 H 2.16 0.02 1 1389 132 133 MET HE H 1.95 0.02 1 1390 132 133 MET C C 174.5 0.3 1 1391 132 133 MET CA C 53.1 0.3 1 1392 132 133 MET CB C 36.6 0.3 1 1393 132 133 MET CG C 30.1 0.3 1 1394 132 133 MET CE C 16.0 0.3 1 1395 132 133 MET N N 119.0 0.3 1 1396 133 134 ALA H H 8.86 0.02 1 1397 133 134 ALA HA H 4.67 0.02 1 1398 133 134 ALA HB H 1.47 0.02 1 1399 133 134 ALA C C 178.2 0.3 1 1400 133 134 ALA CA C 52.3 0.3 1 1401 133 134 ALA CB C 18.4 0.3 1 1402 133 134 ALA N N 127.6 0.3 1 1403 134 135 THR H H 9.30 0.02 1 1404 134 135 THR HA H 4.14 0.02 1 1405 134 135 THR HB H 4.00 0.02 1 1406 134 135 THR HG2 H 1.03 0.02 1 1407 134 135 THR C C 173.8 0.3 1 1408 134 135 THR CA C 61.0 0.3 1 1409 134 135 THR CB C 68.3 0.3 1 1410 134 135 THR CG2 C 22.0 0.3 1 1411 134 135 THR N N 118.1 0.3 1 1412 135 136 GLN H H 7.75 0.02 1 1413 135 136 GLN HA H 4.18 0.02 1 1414 135 136 GLN HB2 H 1.62 0.02 2 1415 135 136 GLN HB3 H 1.81 0.02 2 1416 135 136 GLN HG2 H 1.94 0.02 1 1417 135 136 GLN HG3 H 1.94 0.02 1 1418 135 136 GLN HE21 H 7.30 0.02 1 1419 135 136 GLN HE22 H 6.67 0.02 1 1420 135 136 GLN C C 171.6 0.3 1 1421 135 136 GLN CA C 54.7 0.3 1 1422 135 136 GLN CB C 32.6 0.3 1 1423 135 136 GLN CG C 33.2 0.3 1 1424 135 136 GLN N N 122.1 0.3 1 1425 135 136 GLN NE2 N 111.8 0.3 1 1426 136 137 VAL H H 7.71 0.02 1 1427 136 137 VAL HA H 4.54 0.02 1 1428 136 137 VAL HB H 1.94 0.02 1 1429 136 137 VAL HG1 H 0.68 0.02 1 1430 136 137 VAL HG2 H 0.71 0.02 1 1431 136 137 VAL CA C 57.5 0.3 1 1432 136 137 VAL CB C 33.5 0.3 1 1433 136 137 VAL CG1 C 21.5 0.3 1 1434 136 137 VAL CG2 C 19.0 0.3 1 1435 136 137 VAL N N 112.3 0.3 1 1436 137 138 PRO HA H 4.70 0.02 1 1437 137 138 PRO HB2 H 2.40 0.02 2 1438 137 138 PRO HB3 H 2.05 0.02 2 1439 137 138 PRO HG2 H 1.90 0.02 2 1440 137 138 PRO HG3 H 1.84 0.02 2 1441 137 138 PRO HD2 H 3.57 0.02 2 1442 137 138 PRO HD3 H 3.48 0.02 2 1443 137 138 PRO C C 176.1 0.3 1 1444 137 138 PRO CA C 62.2 0.3 1 1445 137 138 PRO CB C 33.8 0.3 1 1446 137 138 PRO CG C 24.4 0.3 1 1447 137 138 PRO CD C 49.7 0.3 1 1448 138 139 VAL H H 8.45 0.02 1 1449 138 139 VAL HA H 4.27 0.02 1 1450 138 139 VAL HB H 2.14 0.02 1 1451 138 139 VAL HG1 H 0.84 0.02 1 1452 138 139 VAL HG2 H 0.88 0.02 1 1453 138 139 VAL C C 175.2 0.3 1 1454 138 139 VAL CA C 61.1 0.3 1 1455 138 139 VAL CB C 32.2 0.3 1 1456 138 139 VAL CG1 C 20.8 0.3 1 1457 138 139 VAL CG2 C 20.7 0.3 1 1458 138 139 VAL N N 121.4 0.3 1 1459 139 140 THR H H 8.11 0.02 1 1460 139 140 THR HA H 4.51 0.02 1 1461 139 140 THR HB H 4.13 0.02 1 1462 139 140 THR HG2 H 1.18 0.02 1 1463 139 140 THR C C 172.6 0.3 1 1464 139 140 THR CA C 60.4 0.3 1 1465 139 140 THR CB C 69.6 0.3 1 1466 139 140 THR CG2 C 20.8 0.3 1 1467 139 140 THR N N 117.5 0.3 1 1468 140 141 ALA H H 8.18 0.02 1 1469 140 141 ALA HA H 3.75 0.02 1 1470 140 141 ALA HB H 1.36 0.02 1 1471 140 141 ALA C C 176.4 0.3 1 1472 140 141 ALA CA C 51.6 0.3 1 1473 140 141 ALA CB C 19.8 0.3 1 1474 140 141 ALA N N 123.6 0.3 1 1475 141 142 GLY H H 8.45 0.02 1 1476 141 142 GLY HA2 H 4.50 0.02 2 1477 141 142 GLY HA3 H 3.59 0.02 2 1478 141 142 GLY C C 172.4 0.3 1 1479 141 142 GLY CA C 43.9 0.3 1 1480 141 142 GLY N N 105.4 0.3 1 1481 142 143 HIS H H 8.56 0.02 1 1482 142 143 HIS HA H 4.54 0.02 1 1483 142 143 HIS HB2 H 3.05 0.02 2 1484 142 143 HIS HB3 H 3.19 0.02 2 1485 142 143 HIS HD2 H 7.82 0.02 1 1486 142 143 HIS HE1 H 7.18 0.02 1 1487 142 143 HIS C C 175.7 0.3 1 1488 142 143 HIS CA C 57.6 0.3 1 1489 142 143 HIS CB C 32.0 0.3 1 1490 142 143 HIS CD2 C 119.3 0.3 1 1491 142 143 HIS CE1 C 138.7 0.3 1 1492 142 143 HIS N N 117.7 0.3 1 1493 142 143 HIS ND1 N 179.7 0.3 1 1494 143 144 ILE H H 8.23 0.02 1 1495 143 144 ILE HA H 4.11 0.02 1 1496 143 144 ILE HB H 1.43 0.02 1 1497 143 144 ILE HG12 H 0.88 0.02 2 1498 143 144 ILE HG13 H 1.25 0.02 2 1499 143 144 ILE HG2 H 0.56 0.02 1 1500 143 144 ILE HD1 H 0.62 0.02 1 1501 143 144 ILE C C 173.7 0.3 1 1502 143 144 ILE CA C 59.5 0.3 1 1503 143 144 ILE CB C 38.4 0.3 1 1504 143 144 ILE CG1 C 25.9 0.3 1 1505 143 144 ILE CG2 C 16.4 0.3 1 1506 143 144 ILE CD1 C 14.7 0.3 1 1507 143 144 ILE N N 121.9 0.3 1 1508 144 145 ASN H H 8.40 0.02 1 1509 144 145 ASN HA H 5.46 0.02 1 1510 144 145 ASN HB2 H 2.70 0.02 2 1511 144 145 ASN HB3 H 2.62 0.02 2 1512 144 145 ASN HD21 H 7.61 0.02 1 1513 144 145 ASN HD22 H 6.66 0.02 1 1514 144 145 ASN C C 172.4 0.3 1 1515 144 145 ASN CA C 53.1 0.3 1 1516 144 145 ASN CB C 42.2 0.3 1 1517 144 145 ASN N N 126.6 0.3 1 1518 144 145 ASN ND2 N 112.7 0.3 1 1519 145 146 ALA H H 8.48 0.02 1 1520 145 146 ALA HA H 4.73 0.02 1 1521 145 146 ALA HB H 1.34 0.02 1 1522 145 146 ALA C C 175 0.3 1 1523 145 146 ALA CA C 51.8 0.3 1 1524 145 146 ALA CB C 23.6 0.3 1 1525 145 146 ALA N N 124.8 0.3 1 1526 146 147 THR H H 8.45 0.02 1 1527 146 147 THR HA H 5.35 0.02 1 1528 146 147 THR HB H 3.89 0.02 1 1529 146 147 THR HG2 H 1.14 0.02 1 1530 146 147 THR C C 171.9 0.3 1 1531 146 147 THR CA C 60.5 0.3 1 1532 146 147 THR CB C 71.2 0.3 1 1533 146 147 THR CG2 C 21.1 0.3 1 1534 146 147 THR N N 115.1 0.3 1 1535 147 148 ALA H H 9.19 0.02 1 1536 147 148 ALA HA H 5.14 0.02 1 1537 147 148 ALA HB H 1.33 0.02 1 1538 147 148 ALA C C 175.3 0.3 1 1539 147 148 ALA CA C 49.7 0.3 1 1540 147 148 ALA CB C 21.8 0.3 1 1541 147 148 ALA N N 127.2 0.3 1 1542 148 149 THR H H 8.82 0.02 1 1543 148 149 THR HA H 5.07 0.02 1 1544 148 149 THR HB H 4.08 0.02 1 1545 148 149 THR HG2 H 1.08 0.02 1 1546 148 149 THR C C 173.7 0.3 1 1547 148 149 THR CA C 60.5 0.3 1 1548 148 149 THR CB C 70.2 0.3 1 1549 148 149 THR CG2 C 20.8 0.3 1 1550 148 149 THR N N 115.9 0.3 1 1551 149 150 PHE H H 8.39 0.02 1 1552 149 150 PHE HA H 5.78 0.02 1 1553 149 150 PHE HB2 H 2.49 0.02 1 1554 149 150 PHE HB3 H 2.49 0.02 1 1555 149 150 PHE HD1 H 6.78 0.02 1 1556 149 150 PHE HD2 H 6.78 0.02 1 1557 149 150 PHE HE1 H 7.20 0.02 1 1558 149 150 PHE HE2 H 7.20 0.02 1 1559 149 150 PHE HZ H 6.94 0.02 1 1560 149 150 PHE C C 173.6 0.3 1 1561 149 150 PHE CA C 54.0 0.3 1 1562 149 150 PHE CB C 41.1 0.3 1 1563 149 150 PHE CD1 C 131.9 0.3 1 1564 149 150 PHE CE1 C 130.5 0.3 1 1565 149 150 PHE CZ C 130.9 0.3 1 1566 149 150 PHE N N 120.9 0.3 1 1567 150 151 THR H H 8.85 0.02 1 1568 150 151 THR HA H 4.70 0.02 1 1569 150 151 THR HB H 4.00 0.02 1 1570 150 151 THR HG2 H 1.00 0.02 1 1571 150 151 THR C C 172.6 0.3 1 1572 150 151 THR CA C 58.8 0.3 1 1573 150 151 THR CB C 70.2 0.3 1 1574 150 151 THR CG2 C 20.8 0.3 1 1575 150 151 THR N N 114.2 0.3 1 1576 151 152 LEU H H 8.41 0.02 1 1577 151 152 LEU HA H 4.91 0.02 1 1578 151 152 LEU HB2 H 1.66 0.02 2 1579 151 152 LEU HB3 H 0.87 0.02 2 1580 151 152 LEU HG H 0.70 0.02 1 1581 151 152 LEU HD1 H 0.98 0.02 1 1582 151 152 LEU HD2 H 0.40 0.02 1 1583 151 152 LEU C C 174.5 0.3 1 1584 151 152 LEU CA C 53.2 0.3 1 1585 151 152 LEU CB C 43.8 0.3 1 1586 151 152 LEU CG C 24.1 0.3 1 1587 151 152 LEU CD1 C 26.7 0.3 1 1588 151 152 LEU CD2 C 22.4 0.3 1 1589 151 152 LEU N N 121.8 0.3 1 1590 152 153 GLU H H 8.06 0.02 1 1591 152 153 GLU HA H 4.81 0.02 1 1592 152 153 GLU HB2 H 1.88 0.02 2 1593 152 153 GLU HB3 H 1.80 0.02 2 1594 152 153 GLU HG2 H 2.12 0.02 1 1595 152 153 GLU HG3 H 2.12 0.02 1 1596 152 153 GLU C C 174.1 0.3 1 1597 152 153 GLU CA C 53.6 0.3 1 1598 152 153 GLU CB C 31.8 0.3 1 1599 152 153 GLU CG C 35.6 0.3 1 1600 152 153 GLU N N 123.7 0.3 1 1601 153 154 TYR H H 9.03 0.02 1 1602 153 154 TYR HA H 5.29 0.02 1 1603 153 154 TYR HB2 H 3.33 0.02 2 1604 153 154 TYR HB3 H 2.75 0.02 2 1605 153 154 TYR HD1 H 7.16 0.02 1 1606 153 154 TYR HD2 H 7.16 0.02 1 1607 153 154 TYR HE1 H 6.70 0.02 1 1608 153 154 TYR HE2 H 6.70 0.02 1 1609 153 154 TYR C C 175.4 0.3 1 1610 153 154 TYR CA C 58.0 0.3 1 1611 153 154 TYR CB C 40.0 0.3 1 1612 153 154 TYR CD1 C 133.1 0.3 1 1613 153 154 TYR CE1 C 117.6 0.3 1 1614 153 154 TYR N N 124.6 0.3 1 1615 154 155 GLN H H 8.35 0.02 1 1616 154 155 GLN HA H 4.47 0.02 1 1617 154 155 GLN HB2 H 1.83 0.02 1 1618 154 155 GLN HB3 H 1.83 0.02 1 1619 154 155 GLN CA C 55.6 0.3 1 1620 154 155 GLN CB C 30.3 0.3 1 1621 154 155 GLN N N 122.2 0.3 1 1622 164 165 GLN H H 8.60 0.02 1 1623 164 165 GLN HA H 4.45 0.02 1 1624 164 165 GLN HB2 H 2.16 0.02 2 1625 164 165 GLN HB3 H 2.06 0.02 2 1626 164 165 GLN HG2 H 2.43 0.02 1 1627 164 165 GLN HG3 H 2.43 0.02 1 1628 164 165 GLN HE21 H 7.77 0.02 1 1629 164 165 GLN HE22 H 6.86 0.02 1 1630 164 165 GLN C C 174.8 0.3 1 1631 164 165 GLN CA C 55.1 0.3 1 1632 164 165 GLN CB C 29.8 0.3 1 1633 164 165 GLN CG C 33.4 0.3 1 1634 164 165 GLN N N 123.8 0.3 1 1635 164 165 GLN NE2 N 112.7 0.3 1 1636 165 166 ALA H H 8.43 0.02 1 1637 165 166 ALA HA H 4.46 0.02 1 1638 165 166 ALA HB H 1.26 0.02 1 1639 165 166 ALA C C 176.1 0.3 1 1640 165 166 ALA CA C 51.6 0.3 1 1641 165 166 ALA CB C 19.6 0.3 1 1642 165 166 ALA N N 126.8 0.3 1 1643 166 167 ASP H H 8.35 0.02 1 1644 166 167 ASP HA H 4.73 0.02 1 1645 166 167 ASP HB2 H 2.68 0.02 2 1646 166 167 ASP HB3 H 2.59 0.02 2 1647 166 167 ASP C C 175 0.3 1 1648 166 167 ASP CA C 54.0 0.3 1 1649 166 167 ASP CB C 41.2 0.3 1 1650 166 167 ASP N N 120.3 0.3 1 1651 167 168 SER H H 7.47 0.02 1 1652 167 168 SER HA H 4.79 0.02 1 1653 167 168 SER HB2 H 3.42 0.02 2 1654 167 168 SER HB3 H 3.15 0.02 2 1655 167 168 SER C C 172.9 0.3 1 1656 167 168 SER CA C 57.0 0.3 1 1657 167 168 SER CB C 63.9 0.3 1 1658 167 168 SER N N 114.4 0.3 1 1659 168 169 THR H H 8.33 0.02 1 1660 168 169 THR HA H 5.02 0.02 1 1661 168 169 THR HB H 4.02 0.02 1 1662 168 169 THR HG2 H 1.08 0.02 1 1663 168 169 THR C C 172.4 0.3 1 1664 168 169 THR CA C 60.9 0.3 1 1665 168 169 THR CB C 71.5 0.3 1 1666 168 169 THR CG2 C 21.0 0.3 1 1667 168 169 THR N N 116.5 0.3 1 1668 169 170 ILE H H 8.99 0.02 1 1669 169 170 ILE HA H 4.20 0.02 1 1670 169 170 ILE HB H 1.21 0.02 1 1671 169 170 ILE HG12 H 1.14 0.02 2 1672 169 170 ILE HG13 H 0.26 0.02 2 1673 169 170 ILE HG2 H 0.37 0.02 1 1674 169 170 ILE HD1 H 0.13 0.02 1 1675 169 170 ILE CA C 58.8 0.3 1 1676 169 170 ILE CB C 40.4 0.3 1 1677 169 170 ILE CG1 C 26.1 0.3 1 1678 169 170 ILE CG2 C 14.5 0.3 1 1679 169 170 ILE CD1 C 16.3 0.3 1 1680 169 170 ILE N N 122.2 0.3 1 1681 170 171 THR H H 8.45 0.02 1 1682 170 171 THR HA H 4.85 0.02 1 1683 170 171 THR HB H 3.93 0.02 1 1684 170 171 THR HG2 H 1.14 0.02 1 1685 170 171 THR C C 172.2 0.3 1 1686 170 171 THR CA C 61.3 0.3 1 1687 170 171 THR CB C 69.5 0.3 1 1688 170 171 THR CG2 C 21.0 0.3 1 1689 170 171 THR N N 123.6 0.3 1 1690 171 172 ILE H H 9.24 0.02 1 1691 171 172 ILE HA H 4.93 0.02 1 1692 171 172 ILE HB H 1.48 0.02 1 1693 171 172 ILE HG12 H 1.18 0.02 2 1694 171 172 ILE HG13 H 0.70 0.02 2 1695 171 172 ILE HG2 H 0.70 0.02 1 1696 171 172 ILE HD1 H 0.41 0.02 1 1697 171 172 ILE C C 174 0.3 1 1698 171 172 ILE CA C 59.5 0.3 1 1699 171 172 ILE CB C 38.5 0.3 1 1700 171 172 ILE CG1 C 27.7 0.3 1 1701 171 172 ILE CG2 C 18.5 0.3 1 1702 171 172 ILE CD1 C 12.7 0.3 1 1703 171 172 ILE N N 128.4 0.3 1 1704 172 173 ARG H H 8.45 0.02 1 1705 172 173 ARG HA H 5.54 0.02 1 1706 172 173 ARG HB2 H 1.90 0.02 2 1707 172 173 ARG HB3 H 1.81 0.02 2 1708 172 173 ARG HG2 H 1.14 0.02 2 1709 172 173 ARG HG3 H 1.61 0.02 2 1710 172 173 ARG HD2 H 3.27 0.02 2 1711 172 173 ARG HD3 H 3.20 0.02 2 1712 172 173 ARG HE H 7.26 0.02 1 1713 172 173 ARG C C 174.1 0.3 1 1714 172 173 ARG CA C 52.6 0.3 1 1715 172 173 ARG CB C 34.2 0.3 1 1716 172 173 ARG CG C 26.2 0.3 1 1717 172 173 ARG CD C 43.1 0.3 1 1718 172 173 ARG N N 124.2 0.3 1 1719 172 173 ARG NE N 85.2 0.3 1 1720 173 174 GLY H H 7.96 0.02 1 1721 173 174 GLY HA2 H 4.09 0.02 2 1722 173 174 GLY HA3 H 4.39 0.02 2 1723 173 174 GLY C C 171.6 0.3 1 1724 173 174 GLY CA C 45.3 0.3 1 1725 173 174 GLY N N 105.4 0.3 1 1726 174 175 TYR H H 8.81 0.02 1 1727 174 175 TYR HA H 4.88 0.02 1 1728 174 175 TYR HB2 H 2.99 0.02 2 1729 174 175 TYR HB3 H 2.75 0.02 2 1730 174 175 TYR HD1 H 6.74 0.02 1 1731 174 175 TYR HD2 H 6.74 0.02 1 1732 174 175 TYR HE1 H 6.43 0.02 1 1733 174 175 TYR HE2 H 6.43 0.02 1 1734 174 175 TYR C C 173.4 0.3 1 1735 174 175 TYR CA C 58.3 0.3 1 1736 174 175 TYR CB C 43.1 0.3 1 1737 174 175 TYR CD1 C 132.4 0.3 1 1738 174 175 TYR CE1 C 117.4 0.3 1 1739 174 175 TYR N N 121.9 0.3 1 1740 175 176 VAL H H 8.43 0.02 1 1741 175 176 VAL HA H 4.95 0.02 1 1742 175 176 VAL HB H 1.91 0.02 1 1743 175 176 VAL HG1 H 0.71 0.02 1 1744 175 176 VAL HG2 H 0.77 0.02 1 1745 175 176 VAL C C 173.4 0.3 1 1746 175 176 VAL CA C 60.2 0.3 1 1747 175 176 VAL CB C 32.6 0.3 1 1748 175 176 VAL CG1 C 21.8 0.3 1 1749 175 176 VAL CG2 C 20.8 0.3 1 1750 175 176 VAL N N 128.3 0.3 1 1751 176 177 ARG H H 8.72 0.02 1 1752 176 177 ARG HA H 4.71 0.02 1 1753 176 177 ARG HB2 H 1.95 0.02 2 1754 176 177 ARG HB3 H 1.91 0.02 2 1755 176 177 ARG HG2 H 1.74 0.02 2 1756 176 177 ARG HG3 H 1.66 0.02 2 1757 176 177 ARG HD2 H 3.32 0.02 2 1758 176 177 ARG HD3 H 3.19 0.02 2 1759 176 177 ARG HE H 7.97 0.02 1 1760 176 177 ARG HH21 H 6.74 0.02 1 1761 176 177 ARG HH22 H 6.74 0.02 1 1762 176 177 ARG C C 175.3 0.3 1 1763 176 177 ARG CA C 53.7 0.3 1 1764 176 177 ARG CB C 32.7 0.3 1 1765 176 177 ARG CG C 26.7 0.3 1 1766 176 177 ARG CD C 42.7 0.3 1 1767 176 177 ARG N N 124.9 0.3 1 1768 176 177 ARG NE N 95.8 0.3 1 1769 176 177 ARG NH2 N 85.1 0.3 1 1770 177 178 ASP H H 8.81 0.02 1 1771 177 178 ASP HA H 4.83 0.02 1 1772 177 178 ASP HB2 H 2.71 0.02 2 1773 177 178 ASP HB3 H 2.57 0.02 2 1774 177 178 ASP C C 174.4 0.3 1 1775 177 178 ASP CA C 53.8 0.3 1 1776 177 178 ASP CB C 40.9 0.3 1 1777 177 178 ASP N N 123.4 0.3 1 1778 178 179 ASN H H 7.97 0.02 1 1779 178 179 ASN HA H 4.44 0.02 1 1780 178 179 ASN HB2 H 2.76 0.02 1 1781 178 179 ASN HB3 H 2.76 0.02 1 1782 178 179 ASN HD21 H 7.44 0.02 1 1783 178 179 ASN HD22 H 6.72 0.02 1 1784 178 179 ASN CA C 54.2 0.3 1 1785 178 179 ASN CB C 39.9 0.3 1 1786 178 179 ASN N N 124.2 0.3 1 1787 178 179 ASN ND2 N 112.1 0.3 1 stop_ save_