data_16689 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain 1H, 15N and 13C assignments for a thiol-disulphide oxidoreductase from the Antarctic bacterium Pseudoalteromonas haloplanktis TAC125 ; _BMRB_accession_number 16689 _BMRB_flat_file_name bmr16689.str _Entry_type original _Submission_date 2010-01-21 _Accession_date 2010-01-21 _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 Collins Tony . . 2 Matzapetakis Manolis . . 3 Santos Helena . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1138 "13C chemical shifts" 880 "15N chemical shifts" 200 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-05 update BMRB 'Update entry citation' 2010-05-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side chain 1H, 15N and 13C assignments for a thiol-disulphide oxidoreductase from the Antarctic bacterium Pseudoalteromonas haloplanktis TAC125.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20455034 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Collins Tony . . 2 Matzapetakis Manolis . . 3 Santos Helena . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 151 _Page_last 154 _Year 2010 _Details . loop_ _Keyword 'Cold-adapted enzymes' DsbA oxidoreductase 'Pseudoalteromonas haloplanktis' TAC125 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PshDsbA _Enzyme_commission_number 1.8.4.- loop_ _Mol_system_component_name _Mol_label DsbA $PshDsbA stop_ _System_molecular_weight 20809.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'catalyzes the extracytoplasmic formation of disulphide bonds in newly synthesized proteins' 'thiol-disulphide oxidoreductase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PshDsbA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PshDsbA _Molecular_mass 20809.7 _Mol_thiol_state 'all free' loop_ _Biological_function 'catalyzes the extracytoplasmic formation of disulphide bonds in newly synthesized proteins' 'thiol-disulphide oxidoreductase' stop_ _Details 'Reduced form of protein' ############################## # Polymer residue sequence # ############################## _Residue_count 187 _Mol_residue_sequence ; ANFEVGNQYTVIDIEKSTTP QVTEYFSFYCPHCFKFEPVA HAIEENLPAGAVFIKNHVNF LGGVSPQTQSNLSLAYLVAK KHGQADTITDKIFKSIHVQR APLTEIKDLKKLLDINGISS DTFDQDIASMPIIAAEQAMQ DKQNKYSKLGALTGVPTFIV NDKYKINLNTIKSQEELDEL VSFLLAL ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASN 3 PHE 4 GLU 5 VAL 6 GLY 7 ASN 8 GLN 9 TYR 10 THR 11 VAL 12 ILE 13 ASP 14 ILE 15 GLU 16 LYS 17 SER 18 THR 19 THR 20 PRO 21 GLN 22 VAL 23 THR 24 GLU 25 TYR 26 PHE 27 SER 28 PHE 29 TYR 30 CYS 31 PRO 32 HIS 33 CYS 34 PHE 35 LYS 36 PHE 37 GLU 38 PRO 39 VAL 40 ALA 41 HIS 42 ALA 43 ILE 44 GLU 45 GLU 46 ASN 47 LEU 48 PRO 49 ALA 50 GLY 51 ALA 52 VAL 53 PHE 54 ILE 55 LYS 56 ASN 57 HIS 58 VAL 59 ASN 60 PHE 61 LEU 62 GLY 63 GLY 64 VAL 65 SER 66 PRO 67 GLN 68 THR 69 GLN 70 SER 71 ASN 72 LEU 73 SER 74 LEU 75 ALA 76 TYR 77 LEU 78 VAL 79 ALA 80 LYS 81 LYS 82 HIS 83 GLY 84 GLN 85 ALA 86 ASP 87 THR 88 ILE 89 THR 90 ASP 91 LYS 92 ILE 93 PHE 94 LYS 95 SER 96 ILE 97 HIS 98 VAL 99 GLN 100 ARG 101 ALA 102 PRO 103 LEU 104 THR 105 GLU 106 ILE 107 LYS 108 ASP 109 LEU 110 LYS 111 LYS 112 LEU 113 LEU 114 ASP 115 ILE 116 ASN 117 GLY 118 ILE 119 SER 120 SER 121 ASP 122 THR 123 PHE 124 ASP 125 GLN 126 ASP 127 ILE 128 ALA 129 SER 130 MET 131 PRO 132 ILE 133 ILE 134 ALA 135 ALA 136 GLU 137 GLN 138 ALA 139 MET 140 GLN 141 ASP 142 LYS 143 GLN 144 ASN 145 LYS 146 TYR 147 SER 148 LYS 149 LEU 150 GLY 151 ALA 152 LEU 153 THR 154 GLY 155 VAL 156 PRO 157 THR 158 PHE 159 ILE 160 VAL 161 ASN 162 ASP 163 LYS 164 TYR 165 LYS 166 ILE 167 ASN 168 LEU 169 ASN 170 THR 171 ILE 172 LYS 173 SER 174 GLN 175 GLU 176 GLU 177 LEU 178 ASP 179 GLU 180 LEU 181 VAL 182 SER 183 PHE 184 LEU 185 LEU 186 ALA 187 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 EMBL CAG25536 "DsbA protein [Pseudoalteromonas haloplanktis TAC125]" 100.00 207 100.00 100.00 3.53e-133 EMBL CAI85351 "periplasmic protein, disulfide bond formation [Pseudoalteromonas haloplanktis TAC125]" 100.00 207 100.00 100.00 3.53e-133 REF WP_011326965 "disulfide bond formation protein [Pseudoalteromonas haloplanktis]" 100.00 207 100.00 100.00 3.53e-133 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $PshDsbA 'Pseudoalteromonas haloplanktis' 228 Eubacteria . Pseudoalteromonas haloplanktis TAC125 dsbA 'Organism isolated from antarctic sea waters' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $PshDsbA 'recombinant technology' . Escherichia coli K12 BL21(DE3) pET22b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PshDsbA 2 mM '[U-13C; U-15N]' MOPS 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PshDsbA 1.5 mM [U-15N] MOPS 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_RCI _Saveframe_category software _Name RCI _Version . loop_ _Vendor _Address _Electronic_address '(Berjanskii and Wishart )' . . stop_ loop_ _Task 'random coil prediction' stop_ _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version . loop_ _Vendor _Address _Electronic_address '(Wishart and Sykes)' . . stop_ loop_ _Task 'secondary structure prediction' stop_ _Details . save_ save_Checkshift _Saveframe_category software _Name Checkshift _Version . loop_ _Vendor _Address _Electronic_address '(Ginzinger, Skočibu ić and Heun' . . stop_ loop_ _Task 'chemical shift recalibration' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II+' _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 $15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C15N save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $15N save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $15N save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C15N save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $13C15N save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C15N save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $13C15N save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C15N save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C15N save_ save_3D_CBCANH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $13C15N save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_1H-15N_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15N save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C15N save_ save_hbCBcgcdceHE_15 _Saveframe_category NMR_applied_experiment _Experiment_name hbCBcgcdceHE _Sample_label $13C15N save_ save_hbCBcgcdHD_16 _Saveframe_category NMR_applied_experiment _Experiment_name hbCBcgcdHD _Sample_label $13C15N save_ save_3D_HNHA_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N save_ save_3D_HCCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C15N save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 60 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D HNCO' '3D HCACO' '3D HNCA' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D CBCA(CO)NH' '3D CBCANH' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' hbCBcgcdceHE hbCBcgcdHD '3D HNHA' stop_ loop_ _Sample_label $15N $13C15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name DsbA _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 1 1 ALA HA H 3.595 0.020 1 2 1 1 ALA HB H 1.003 0.020 1 3 1 1 ALA CA C 51.319 0.3 1 4 1 1 ALA CB C 19.271 0.3 1 5 2 2 ASN HA H 4.381 0.020 1 6 2 2 ASN HB2 H 2.459 0.020 2 7 2 2 ASN HB3 H 2.290 0.020 2 8 2 2 ASN HD21 H 6.698 0.020 2 9 2 2 ASN HD22 H 7.403 0.020 2 10 2 2 ASN C C 173.519 0.3 1 11 2 2 ASN CA C 52.277 0.3 1 12 2 2 ASN CB C 38.599 0.3 1 13 2 2 ASN CG C 176.830 0.3 1 14 2 2 ASN ND2 N 112.943 0.3 1 15 3 3 PHE H H 7.505 0.020 1 16 3 3 PHE HA H 4.552 0.020 1 17 3 3 PHE HB2 H 2.614 0.020 2 18 3 3 PHE HB3 H 2.005 0.020 2 19 3 3 PHE HD1 H 6.337 0.020 1 20 3 3 PHE HD2 H 6.337 0.020 1 21 3 3 PHE HE1 H 7.013 0.020 1 22 3 3 PHE HE2 H 7.013 0.020 1 23 3 3 PHE HZ H 7.118 0.020 1 24 3 3 PHE C C 175.083 0.3 1 25 3 3 PHE CA C 56.102 0.3 1 26 3 3 PHE CB C 39.961 0.3 1 27 3 3 PHE CD1 C 131.048 0.3 1 28 3 3 PHE CD2 C 131.048 0.3 1 29 3 3 PHE CE1 C 130.751 0.3 1 30 3 3 PHE CE2 C 130.751 0.3 1 31 3 3 PHE CZ C 129.603 0.3 1 32 3 3 PHE N N 120.005 0.3 1 33 4 4 GLU H H 9.070 0.020 1 34 4 4 GLU HA H 4.730 0.020 1 35 4 4 GLU HB2 H 1.981 0.020 2 36 4 4 GLU HB3 H 1.920 0.020 2 37 4 4 GLU HG2 H 2.193 0.020 2 38 4 4 GLU HG3 H 2.163 0.020 2 39 4 4 GLU C C 175.210 0.3 1 40 4 4 GLU CA C 54.626 0.3 1 41 4 4 GLU CB C 33.262 0.3 1 42 4 4 GLU CG C 35.973 0.3 1 43 4 4 GLU N N 123.377 0.3 1 44 5 5 VAL H H 8.403 0.020 1 45 5 5 VAL HA H 2.707 0.020 1 46 5 5 VAL HB H 1.859 0.020 1 47 5 5 VAL HG1 H 0.921 0.020 2 48 5 5 VAL HG2 H 0.857 0.020 2 49 5 5 VAL C C 176.446 0.3 1 50 5 5 VAL CA C 63.316 0.3 1 51 5 5 VAL CB C 30.887 0.3 1 52 5 5 VAL CG1 C 22.600 0.3 2 53 5 5 VAL CG2 C 20.128 0.3 2 54 5 5 VAL N N 126.438 0.3 1 55 6 6 GLY H H 8.549 0.020 1 56 6 6 GLY HA2 H 4.238 0.020 2 57 6 6 GLY HA3 H 3.529 0.020 2 58 6 6 GLY C C 172.667 0.3 1 59 6 6 GLY CA C 45.061 0.3 1 60 6 6 GLY N N 116.220 0.3 1 61 7 7 ASN H H 7.943 0.020 1 62 7 7 ASN HA H 4.832 0.020 1 63 7 7 ASN HB2 H 3.311 0.020 2 64 7 7 ASN HB3 H 2.650 0.020 2 65 7 7 ASN HD21 H 6.621 0.020 2 66 7 7 ASN HD22 H 7.363 0.020 2 67 7 7 ASN C C 176.117 0.3 1 68 7 7 ASN CA C 52.394 0.3 1 69 7 7 ASN CB C 37.178 0.3 1 70 7 7 ASN CG C 176.123 0.3 1 71 7 7 ASN N N 118.263 0.3 1 72 7 7 ASN ND2 N 108.402 0.3 1 73 8 8 GLN H H 8.911 0.020 1 74 8 8 GLN HA H 4.695 0.020 1 75 8 8 GLN HB2 H 2.124 0.020 2 76 8 8 GLN HB3 H 1.966 0.020 2 77 8 8 GLN HE21 H 7.215 0.020 2 78 8 8 GLN HE22 H 8.095 0.020 2 79 8 8 GLN HG2 H 2.504 0.020 2 80 8 8 GLN HG3 H 2.792 0.020 2 81 8 8 GLN C C 174.432 0.3 1 82 8 8 GLN CA C 59.046 0.3 1 83 8 8 GLN CB C 27.200 0.3 1 84 8 8 GLN CD C 181.069 0.3 1 85 8 8 GLN CG C 33.545 0.3 1 86 8 8 GLN N N 115.787 0.3 1 87 8 8 GLN NE2 N 112.537 0.3 1 88 9 9 TYR H H 7.378 0.020 1 89 9 9 TYR HA H 5.549 0.020 1 90 9 9 TYR HB2 H 2.818 0.020 2 91 9 9 TYR HB3 H 2.741 0.020 2 92 9 9 TYR HD1 H 6.675 0.020 1 93 9 9 TYR HD2 H 6.675 0.020 1 94 9 9 TYR HE1 H 6.370 0.020 1 95 9 9 TYR HE2 H 6.370 0.020 1 96 9 9 TYR C C 172.323 0.3 1 97 9 9 TYR CA C 54.966 0.3 1 98 9 9 TYR CB C 41.279 0.3 1 99 9 9 TYR CD1 C 132.641 0.3 1 100 9 9 TYR CD2 C 132.641 0.3 1 101 9 9 TYR CE1 C 117.427 0.3 1 102 9 9 TYR CE2 C 117.427 0.3 1 103 9 9 TYR N N 111.486 0.3 1 104 10 10 THR H H 9.215 0.020 1 105 10 10 THR HA H 4.482 0.020 1 106 10 10 THR HB H 3.954 0.020 1 107 10 10 THR HG2 H 1.139 0.020 1 108 10 10 THR C C 172.885 0.3 1 109 10 10 THR CA C 60.646 0.3 1 110 10 10 THR CB C 72.281 0.3 1 111 10 10 THR CG2 C 22.045 0.3 1 112 10 10 THR N N 115.273 0.3 1 113 11 11 VAL H H 8.747 0.020 1 114 11 11 VAL HA H 4.497 0.020 1 115 11 11 VAL HB H 2.061 0.020 1 116 11 11 VAL HG1 H 1.251 0.020 2 117 11 11 VAL HG2 H 0.933 0.020 2 118 11 11 VAL C C 175.116 0.3 1 119 11 11 VAL CA C 62.223 0.3 1 120 11 11 VAL CB C 32.665 0.3 1 121 11 11 VAL CG1 C 21.997 0.3 2 122 11 11 VAL CG2 C 21.509 0.3 2 123 11 11 VAL N N 124.812 0.3 1 124 12 12 ILE H H 9.201 0.020 1 125 12 12 ILE HA H 3.996 0.020 1 126 12 12 ILE HB H 1.683 0.020 1 127 12 12 ILE HD1 H 0.664 0.020 1 128 12 12 ILE HG12 H 1.560 0.020 2 129 12 12 ILE HG13 H 0.891 0.020 2 130 12 12 ILE HG2 H 0.845 0.020 1 131 12 12 ILE C C 175.350 0.3 1 132 12 12 ILE CA C 60.146 0.3 1 133 12 12 ILE CB C 39.141 0.3 1 134 12 12 ILE CD1 C 14.801 0.3 1 135 12 12 ILE CG1 C 27.093 0.3 1 136 12 12 ILE CG2 C 18.701 0.3 1 137 12 12 ILE N N 131.384 0.3 1 138 13 13 ASP H H 8.718 0.020 1 139 13 13 ASP HA H 4.621 0.020 1 140 13 13 ASP HB2 H 2.740 0.020 2 141 13 13 ASP HB3 H 2.386 0.020 2 142 13 13 ASP C C 172.592 0.3 1 143 13 13 ASP CA C 53.570 0.3 1 144 13 13 ASP CB C 38.489 0.3 1 145 13 13 ASP N N 128.937 0.3 1 146 14 14 ILE H H 8.058 0.020 1 147 14 14 ILE HA H 4.177 0.020 1 148 14 14 ILE HB H 1.482 0.020 1 149 14 14 ILE HD1 H 0.568 0.020 1 150 14 14 ILE HG12 H 1.370 0.020 2 151 14 14 ILE HG13 H 1.148 0.020 2 152 14 14 ILE HG2 H 0.604 0.020 1 153 14 14 ILE C C 172.821 0.3 1 154 14 14 ILE CA C 59.341 0.3 1 155 14 14 ILE CB C 41.469 0.3 1 156 14 14 ILE CD1 C 13.876 0.3 1 157 14 14 ILE CG1 C 27.585 0.3 1 158 14 14 ILE CG2 C 16.742 0.3 1 159 14 14 ILE N N 123.390 0.3 1 160 15 15 GLU H H 7.872 0.020 1 161 15 15 GLU HA H 4.036 0.020 1 162 15 15 GLU HB2 H 1.861 0.020 2 163 15 15 GLU HB3 H 1.770 0.020 2 164 15 15 GLU HG2 H 2.282 0.020 2 165 15 15 GLU HG3 H 2.249 0.020 2 166 15 15 GLU C C 175.764 0.3 1 167 15 15 GLU CA C 56.919 0.3 1 168 15 15 GLU CB C 29.784 0.3 1 169 15 15 GLU CG C 36.229 0.3 1 170 15 15 GLU N N 122.927 0.3 1 171 16 16 LYS H H 8.229 0.020 1 172 16 16 LYS HA H 4.269 0.020 1 173 16 16 LYS HB2 H 1.823 0.020 2 174 16 16 LYS HB3 H 1.675 0.020 2 175 16 16 LYS HD2 H 1.887 0.020 2 176 16 16 LYS HD3 H 1.754 0.020 2 177 16 16 LYS HE2 H 2.978 0.020 2 178 16 16 LYS HE3 H 2.930 0.020 2 179 16 16 LYS HG2 H 1.751 0.020 2 180 16 16 LYS HG3 H 1.497 0.020 2 181 16 16 LYS C C 176.818 0.3 1 182 16 16 LYS CA C 55.949 0.3 1 183 16 16 LYS CB C 33.462 0.3 1 184 16 16 LYS CD C 29.916 0.3 1 185 16 16 LYS CE C 41.906 0.3 1 186 16 16 LYS CG C 24.652 0.3 1 187 16 16 LYS N N 121.295 0.3 1 188 17 17 SER H H 7.506 0.020 1 189 17 17 SER HA H 4.195 0.020 1 190 17 17 SER HB2 H 3.898 0.020 2 191 17 17 SER HB3 H 3.469 0.020 2 192 17 17 SER C C 175.386 0.3 1 193 17 17 SER CA C 58.252 0.3 1 194 17 17 SER CB C 63.922 0.3 1 195 17 17 SER N N 117.915 0.3 1 196 18 18 THR H H 8.617 0.020 1 197 18 18 THR HA H 4.062 0.020 1 198 18 18 THR HB H 4.262 0.020 1 199 18 18 THR HG2 H 1.211 0.020 1 200 18 18 THR C C 174.743 0.3 1 201 18 18 THR CA C 63.582 0.3 1 202 18 18 THR CB C 68.714 0.3 1 203 18 18 THR CG2 C 21.966 0.3 1 204 18 18 THR N N 115.263 0.3 1 205 19 19 THR H H 7.355 0.020 1 206 19 19 THR HA H 4.714 0.020 1 207 19 19 THR HB H 4.078 0.020 1 208 19 19 THR HG2 H 1.066 0.020 1 209 19 19 THR C C 172.199 0.3 1 210 19 19 THR CA C 58.408 0.3 1 211 19 19 THR CB C 69.832 0.3 1 212 19 19 THR CG2 C 21.042 0.3 1 213 19 19 THR N N 113.732 0.3 1 214 20 20 PRO HA H 5.138 0.020 1 215 20 20 PRO HB2 H 2.294 0.020 2 216 20 20 PRO HB3 H 1.830 0.020 2 217 20 20 PRO HD2 H 3.762 0.020 2 218 20 20 PRO HD3 H 3.679 0.020 2 219 20 20 PRO HG2 H 2.083 0.020 2 220 20 20 PRO HG3 H 1.867 0.020 2 221 20 20 PRO C C 177.640 0.3 1 222 20 20 PRO CA C 61.834 0.3 1 223 20 20 PRO CB C 31.356 0.3 1 224 20 20 PRO CD C 51.091 0.3 1 225 20 20 PRO CG C 27.444 0.3 1 226 21 21 GLN H H 9.167 0.020 1 227 21 21 GLN HA H 5.335 0.020 1 228 21 21 GLN HB2 H 2.155 0.020 2 229 21 21 GLN HB3 H 1.790 0.020 2 230 21 21 GLN HE21 H 6.590 0.020 2 231 21 21 GLN HE22 H 6.826 0.020 2 232 21 21 GLN HG2 H 2.497 0.020 2 233 21 21 GLN HG3 H 2.181 0.020 2 234 21 21 GLN C C 174.174 0.3 1 235 21 21 GLN CA C 54.168 0.3 1 236 21 21 GLN CB C 28.935 0.3 1 237 21 21 GLN CD C 180.422 0.3 1 238 21 21 GLN CG C 29.909 0.3 1 239 21 21 GLN N N 119.955 0.3 1 240 21 21 GLN NE2 N 108.547 0.3 1 241 22 22 VAL H H 8.433 0.020 1 242 22 22 VAL HA H 4.475 0.020 1 243 22 22 VAL HB H 1.850 0.020 1 244 22 22 VAL HG1 H 0.919 0.020 2 245 22 22 VAL HG2 H 0.862 0.020 2 246 22 22 VAL C C 173.734 0.3 1 247 22 22 VAL CA C 60.515 0.3 1 248 22 22 VAL CB C 34.521 0.3 1 249 22 22 VAL CG1 C 22.526 0.3 2 250 22 22 VAL CG2 C 20.651 0.3 2 251 22 22 VAL N N 118.752 0.3 1 252 23 23 THR H H 8.696 0.020 1 253 23 23 THR HA H 5.135 0.020 1 254 23 23 THR HB H 3.576 0.020 1 255 23 23 THR HG2 H 0.240 0.020 1 256 23 23 THR C C 172.296 0.3 1 257 23 23 THR CA C 60.200 0.3 1 258 23 23 THR CB C 70.904 0.3 1 259 23 23 THR CG2 C 20.520 0.3 1 260 23 23 THR N N 120.203 0.3 1 261 24 24 GLU H H 8.519 0.020 1 262 24 24 GLU HA H 4.534 0.020 1 263 24 24 GLU HB2 H 1.353 0.020 1 264 24 24 GLU HB3 H 1.353 0.020 1 265 24 24 GLU HG2 H 1.512 0.020 2 266 24 24 GLU HG3 H 0.945 0.020 2 267 24 24 GLU C C 174.230 0.3 1 268 24 24 GLU CA C 52.381 0.3 1 269 24 24 GLU CB C 30.257 0.3 1 270 24 24 GLU CG C 31.828 0.3 1 271 24 24 GLU N N 125.322 0.3 1 272 25 25 TYR H H 9.348 0.020 1 273 25 25 TYR HA H 5.235 0.020 1 274 25 25 TYR HB2 H 2.610 0.020 2 275 25 25 TYR HB3 H 2.392 0.020 2 276 25 25 TYR HD1 H 6.591 0.020 1 277 25 25 TYR HD2 H 6.591 0.020 1 278 25 25 TYR HE1 H 6.165 0.020 1 279 25 25 TYR HE2 H 6.165 0.020 1 280 25 25 TYR C C 175.319 0.3 1 281 25 25 TYR CA C 57.121 0.3 1 282 25 25 TYR CB C 39.100 0.3 1 283 25 25 TYR CD1 C 132.462 0.3 1 284 25 25 TYR CD2 C 132.462 0.3 1 285 25 25 TYR CE1 C 116.946 0.3 1 286 25 25 TYR CE2 C 116.946 0.3 1 287 25 25 TYR N N 130.071 0.3 1 288 26 26 PHE H H 8.332 0.020 1 289 26 26 PHE HA H 5.126 0.020 1 290 26 26 PHE HB2 H 2.632 0.020 2 291 26 26 PHE HB3 H 2.677 0.020 2 292 26 26 PHE HD1 H 6.679 0.020 1 293 26 26 PHE HD2 H 6.679 0.020 1 294 26 26 PHE HE1 H 5.643 0.020 1 295 26 26 PHE HE2 H 5.643 0.020 1 296 26 26 PHE HZ H 5.902 0.020 1 297 26 26 PHE C C 169.930 0.3 1 298 26 26 PHE CA C 54.106 0.3 1 299 26 26 PHE CB C 43.753 0.3 1 300 26 26 PHE CD1 C 130.834 0.3 1 301 26 26 PHE CD2 C 130.834 0.3 1 302 26 26 PHE CE1 C 130.680 0.3 1 303 26 26 PHE CE2 C 130.680 0.3 1 304 26 26 PHE CZ C 129.568 0.3 1 305 26 26 PHE N N 122.304 0.3 1 306 27 27 SER H H 7.998 0.020 1 307 27 27 SER HA H 4.751 0.020 1 308 27 27 SER HB2 H 3.366 0.020 2 309 27 27 SER HB3 H 3.248 0.020 2 310 27 27 SER C C 177.054 0.3 1 311 27 27 SER CA C 54.763 0.3 1 312 27 27 SER CB C 65.546 0.3 1 313 27 27 SER N N 113.321 0.3 1 314 28 28 PHE H H 11.077 0.020 1 315 28 28 PHE HA H 4.193 0.020 1 316 28 28 PHE HB2 H 2.248 0.020 2 317 28 28 PHE HB3 H 2.105 0.020 2 318 28 28 PHE HD1 H 5.779 0.020 1 319 28 28 PHE HD2 H 5.779 0.020 1 320 28 28 PHE HE1 H 6.918 0.020 1 321 28 28 PHE HE2 H 6.918 0.020 1 322 28 28 PHE HZ H 7.030 0.020 1 323 28 28 PHE C C 176.836 0.3 1 324 28 28 PHE CA C 61.787 0.3 1 325 28 28 PHE CB C 38.671 0.3 1 326 28 28 PHE CD1 C 132.104 0.3 1 327 28 28 PHE CD2 C 132.104 0.3 1 328 28 28 PHE CE1 C 130.590 0.3 1 329 28 28 PHE CE2 C 130.590 0.3 1 330 28 28 PHE CZ C 127.242 0.3 1 331 28 28 PHE N N 130.251 0.3 1 332 29 29 TYR H H 8.650 0.020 1 333 29 29 TYR HA H 4.092 0.020 1 334 29 29 TYR HB2 H 3.178 0.020 2 335 29 29 TYR HB3 H 2.468 0.020 2 336 29 29 TYR HD1 H 6.925 0.020 1 337 29 29 TYR HD2 H 6.925 0.020 1 338 29 29 TYR HE1 H 6.595 0.020 1 339 29 29 TYR HE2 H 6.595 0.020 1 340 29 29 TYR C C 174.364 0.3 1 341 29 29 TYR CA C 60.608 0.3 1 342 29 29 TYR CB C 38.850 0.3 1 343 29 29 TYR CD1 C 131.368 0.3 1 344 29 29 TYR CD2 C 131.368 0.3 1 345 29 29 TYR CE1 C 118.436 0.3 1 346 29 29 TYR CE2 C 118.436 0.3 1 347 29 29 TYR N N 114.345 0.3 1 348 30 30 CYS H H 7.511 0.020 1 349 30 30 CYS HA H 5.077 0.020 1 350 30 30 CYS HB2 H 3.204 0.020 2 351 30 30 CYS HB3 H 2.807 0.020 2 352 30 30 CYS C C 175.235 0.3 1 353 30 30 CYS CA C 55.866 0.3 1 354 30 30 CYS CB C 31.539 0.3 1 355 30 30 CYS N N 126.261 0.3 1 356 31 31 PRO HA H 3.828 0.020 1 357 31 31 PRO HB2 H 2.378 0.020 2 358 31 31 PRO HB3 H 1.859 0.020 2 359 31 31 PRO HD2 H 4.335 0.020 2 360 31 31 PRO HD3 H 4.139 0.020 2 361 31 31 PRO HG2 H 2.161 0.020 2 362 31 31 PRO HG3 H 1.728 0.020 2 363 31 31 PRO C C 179.407 0.3 1 364 31 31 PRO CA C 64.146 0.3 1 365 31 31 PRO CB C 31.890 0.3 1 366 31 31 PRO CD C 51.486 0.3 1 367 31 31 PRO CG C 26.466 0.3 1 368 32 32 HIS H H 9.575 0.020 1 369 32 32 HIS HA H 4.514 0.020 1 370 32 32 HIS HB2 H 3.358 0.020 2 371 32 32 HIS HB3 H 3.134 0.020 2 372 32 32 HIS HD1 H 11.731 0.020 1 373 32 32 HIS HD2 H 7.167 0.020 1 374 32 32 HIS HE1 H 7.165 0.020 1 375 32 32 HIS C C 179.002 0.3 1 376 32 32 HIS CA C 58.802 0.3 1 377 32 32 HIS CB C 30.229 0.3 1 378 32 32 HIS CD2 C 119.525 0.3 1 379 32 32 HIS CE1 C 136.737 0.3 1 380 32 32 HIS N N 128.612 0.3 1 381 32 32 HIS ND1 N 164.308 0.3 1 382 33 33 CYS H H 10.320 0.020 1 383 33 33 CYS HA H 3.985 0.020 1 384 33 33 CYS HB2 H 4.176 0.020 2 385 33 33 CYS HB3 H 2.787 0.020 2 386 33 33 CYS C C 177.533 0.3 1 387 33 33 CYS CA C 65.128 0.3 1 388 33 33 CYS CB C 28.839 0.3 1 389 33 33 CYS N N 127.684 0.3 1 390 34 34 PHE H H 7.818 0.020 1 391 34 34 PHE HA H 3.205 0.020 1 392 34 34 PHE HB2 H 2.599 0.020 2 393 34 34 PHE HB3 H 2.501 0.020 2 394 34 34 PHE HD1 H 6.646 0.020 1 395 34 34 PHE HD2 H 6.646 0.020 1 396 34 34 PHE HE1 H 7.202 0.020 1 397 34 34 PHE HE2 H 7.202 0.020 1 398 34 34 PHE HZ H 7.050 0.020 1 399 34 34 PHE C C 177.664 0.3 1 400 34 34 PHE CA C 57.940 0.3 1 401 34 34 PHE CB C 37.675 0.3 1 402 34 34 PHE CD1 C 131.059 0.3 1 403 34 34 PHE CD2 C 131.059 0.3 1 404 34 34 PHE CE1 C 131.087 0.3 1 405 34 34 PHE CE2 C 131.087 0.3 1 406 34 34 PHE CZ C 129.348 0.3 1 407 34 34 PHE N N 119.820 0.3 1 408 35 35 LYS H H 7.636 0.020 1 409 35 35 LYS HA H 3.513 0.020 1 410 35 35 LYS HB2 H 1.849 0.020 2 411 35 35 LYS HB3 H 1.797 0.020 2 412 35 35 LYS HD2 H 1.568 0.020 2 413 35 35 LYS HD3 H 1.498 0.020 2 414 35 35 LYS HE2 H 2.781 0.020 2 415 35 35 LYS HE3 H 2.846 0.020 2 416 35 35 LYS HG2 H 1.323 0.020 2 417 35 35 LYS HG3 H 1.200 0.020 2 418 35 35 LYS C C 176.877 0.3 1 419 35 35 LYS CA C 58.211 0.3 1 420 35 35 LYS CB C 31.775 0.3 1 421 35 35 LYS CD C 29.002 0.3 1 422 35 35 LYS CE C 41.825 0.3 1 423 35 35 LYS CG C 24.621 0.3 1 424 35 35 LYS N N 120.586 0.3 1 425 36 36 PHE H H 7.817 0.020 1 426 36 36 PHE HA H 4.177 0.020 1 427 36 36 PHE HB2 H 3.212 0.020 2 428 36 36 PHE HB3 H 3.088 0.020 2 429 36 36 PHE HD1 H 7.259 0.020 1 430 36 36 PHE HD2 H 7.259 0.020 1 431 36 36 PHE HE1 H 7.196 0.020 1 432 36 36 PHE HE2 H 7.196 0.020 1 433 36 36 PHE HZ H 7.157 0.020 1 434 36 36 PHE C C 176.263 0.3 1 435 36 36 PHE CA C 59.089 0.3 1 436 36 36 PHE CB C 39.690 0.3 1 437 36 36 PHE CD1 C 130.706 0.3 1 438 36 36 PHE CD2 C 130.706 0.3 1 439 36 36 PHE CE1 C 130.854 0.3 1 440 36 36 PHE CE2 C 130.854 0.3 1 441 36 36 PHE CZ C 129.876 0.3 1 442 36 36 PHE N N 115.534 0.3 1 443 37 37 GLU H H 7.381 0.020 1 444 37 37 GLU HA H 4.287 0.020 1 445 37 37 GLU HB2 H 1.952 0.020 2 446 37 37 GLU HB3 H 1.719 0.020 2 447 37 37 GLU HG2 H 2.012 0.020 2 448 37 37 GLU HG3 H 1.991 0.020 2 449 37 37 GLU C C 175.386 0.3 1 450 37 37 GLU CA C 60.133 0.3 1 451 37 37 GLU CB C 27.745 0.3 1 452 37 37 GLU CG C 37.761 0.3 1 453 37 37 GLU N N 123.231 0.3 1 454 38 38 PRO HA H 4.165 0.020 1 455 38 38 PRO HB2 H 2.169 0.020 2 456 38 38 PRO HB3 H 1.625 0.020 2 457 38 38 PRO HD2 H 3.542 0.020 2 458 38 38 PRO HD3 H 3.285 0.020 2 459 38 38 PRO HG2 H 1.811 0.020 2 460 38 38 PRO HG3 H 1.721 0.020 2 461 38 38 PRO C C 179.609 0.3 1 462 38 38 PRO CA C 65.631 0.3 1 463 38 38 PRO CB C 30.763 0.3 1 464 38 38 PRO CD C 49.483 0.3 1 465 38 38 PRO CG C 28.072 0.3 1 466 39 39 VAL H H 6.708 0.020 1 467 39 39 VAL HA H 3.542 0.020 1 468 39 39 VAL HB H 1.959 0.020 1 469 39 39 VAL HG1 H 0.629 0.020 2 470 39 39 VAL HG2 H 0.664 0.020 2 471 39 39 VAL C C 177.241 0.3 1 472 39 39 VAL CA C 64.958 0.3 1 473 39 39 VAL CB C 31.016 0.3 1 474 39 39 VAL CG1 C 21.467 0.3 2 475 39 39 VAL CG2 C 20.782 0.3 2 476 39 39 VAL N N 119.378 0.3 1 477 40 40 ALA H H 8.203 0.020 1 478 40 40 ALA HA H 3.709 0.020 1 479 40 40 ALA HB H 1.325 0.020 1 480 40 40 ALA C C 179.694 0.3 1 481 40 40 ALA CA C 55.410 0.3 1 482 40 40 ALA CB C 17.319 0.3 1 483 40 40 ALA N N 122.007 0.3 1 484 41 41 HIS H H 8.004 0.020 1 485 41 41 HIS HA H 4.164 0.020 1 486 41 41 HIS HB2 H 3.060 0.020 2 487 41 41 HIS HB3 H 2.982 0.020 2 488 41 41 HIS HD2 H 7.085 0.020 1 489 41 41 HIS HE1 H 8.273 0.020 1 490 41 41 HIS C C 176.295 0.3 1 491 41 41 HIS CA C 58.036 0.3 1 492 41 41 HIS CB C 28.168 0.3 1 493 41 41 HIS CD2 C 119.395 0.3 1 494 41 41 HIS CE1 C 136.171 0.3 1 495 41 41 HIS N N 115.118 0.3 1 496 42 42 ALA H H 7.571 0.020 1 497 42 42 ALA HA H 3.958 0.020 1 498 42 42 ALA HB H 1.272 0.020 1 499 42 42 ALA C C 179.732 0.3 1 500 42 42 ALA CA C 54.889 0.3 1 501 42 42 ALA CB C 17.660 0.3 1 502 42 42 ALA N N 123.402 0.3 1 503 43 43 ILE H H 8.317 0.020 1 504 43 43 ILE HA H 3.657 0.020 1 505 43 43 ILE HB H 1.737 0.020 1 506 43 43 ILE HD1 H 0.313 0.020 1 507 43 43 ILE HG12 H 1.655 0.020 2 508 43 43 ILE HG13 H 0.710 0.020 2 509 43 43 ILE HG2 H 0.859 0.020 1 510 43 43 ILE C C 178.690 0.3 1 511 43 43 ILE CA C 63.941 0.3 1 512 43 43 ILE CB C 37.719 0.3 1 513 43 43 ILE CD1 C 13.601 0.3 1 514 43 43 ILE CG1 C 27.733 0.3 1 515 43 43 ILE CG2 C 16.687 0.3 1 516 43 43 ILE N N 117.023 0.3 1 517 44 44 GLU H H 7.174 0.020 1 518 44 44 GLU HA H 3.546 0.020 1 519 44 44 GLU HB2 H 1.800 0.020 2 520 44 44 GLU HB3 H 1.120 0.020 2 521 44 44 GLU HG2 H 2.107 0.020 2 522 44 44 GLU HG3 H 2.059 0.020 2 523 44 44 GLU C C 178.088 0.3 1 524 44 44 GLU CA C 59.441 0.3 1 525 44 44 GLU CB C 28.640 0.3 1 526 44 44 GLU CG C 35.905 0.3 1 527 44 44 GLU N N 117.401 0.3 1 528 45 45 GLU H H 7.986 0.020 1 529 45 45 GLU HA H 3.844 0.020 1 530 45 45 GLU HB2 H 1.889 0.020 2 531 45 45 GLU HB3 H 1.838 0.020 2 532 45 45 GLU HG2 H 2.121 0.020 1 533 45 45 GLU HG3 H 2.121 0.020 1 534 45 45 GLU C C 177.109 0.3 1 535 45 45 GLU CA C 58.448 0.3 1 536 45 45 GLU CB C 29.643 0.3 1 537 45 45 GLU CG C 35.995 0.3 1 538 45 45 GLU N N 117.824 0.3 1 539 46 46 ASN H H 7.215 0.020 1 540 46 46 ASN HA H 4.782 0.020 1 541 46 46 ASN HB2 H 2.792 0.020 2 542 46 46 ASN HB3 H 2.524 0.020 2 543 46 46 ASN HD21 H 6.578 0.020 2 544 46 46 ASN HD22 H 7.970 0.020 2 545 46 46 ASN C C 174.617 0.3 1 546 46 46 ASN CA C 52.198 0.3 1 547 46 46 ASN CB C 39.002 0.3 1 548 46 46 ASN CG C 177.433 0.3 1 549 46 46 ASN N N 114.931 0.3 1 550 46 46 ASN ND2 N 114.090 0.3 1 551 47 47 LEU H H 7.049 0.020 1 552 47 47 LEU HA H 4.115 0.020 1 553 47 47 LEU HB2 H 1.735 0.020 2 554 47 47 LEU HB3 H 1.247 0.020 2 555 47 47 LEU HD1 H 0.802 0.020 2 556 47 47 LEU HD2 H 0.672 0.020 2 557 47 47 LEU HG H 2.343 0.020 1 558 47 47 LEU C C 174.983 0.3 1 559 47 47 LEU CA C 53.476 0.3 1 560 47 47 LEU CB C 41.042 0.3 1 561 47 47 LEU CD1 C 26.517 0.3 2 562 47 47 LEU CD2 C 23.951 0.3 2 563 47 47 LEU CG C 25.275 0.3 1 564 47 47 LEU N N 120.992 0.3 1 565 48 48 PRO HA H 4.381 0.020 1 566 48 48 PRO HB2 H 2.224 0.020 2 567 48 48 PRO HB3 H 1.780 0.020 2 568 48 48 PRO HD2 H 3.798 0.020 2 569 48 48 PRO HD3 H 3.060 0.020 2 570 48 48 PRO HG2 H 1.955 0.020 2 571 48 48 PRO HG3 H 1.799 0.020 2 572 48 48 PRO C C 175.908 0.3 1 573 48 48 PRO CA C 61.949 0.3 1 574 48 48 PRO CB C 32.027 0.3 1 575 48 48 PRO CD C 49.759 0.3 1 576 48 48 PRO CG C 27.094 0.3 1 577 49 49 ALA H H 8.243 0.020 1 578 49 49 ALA HA H 4.035 0.020 1 579 49 49 ALA HB H 1.287 0.020 1 580 49 49 ALA C C 178.795 0.3 1 581 49 49 ALA CA C 53.489 0.3 1 582 49 49 ALA CB C 17.832 0.3 1 583 49 49 ALA N N 122.716 0.3 1 584 50 50 GLY H H 8.612 0.020 1 585 50 50 GLY HA2 H 3.527 0.020 2 586 50 50 GLY HA3 H 4.231 0.020 2 587 50 50 GLY C C 173.289 0.3 1 588 50 50 GLY CA C 44.836 0.3 1 589 50 50 GLY N N 111.221 0.3 1 590 51 51 ALA H H 7.659 0.020 1 591 51 51 ALA HA H 4.820 0.020 1 592 51 51 ALA HB H 1.238 0.020 1 593 51 51 ALA C C 176.271 0.3 1 594 51 51 ALA CA C 50.538 0.3 1 595 51 51 ALA CB C 20.835 0.3 1 596 51 51 ALA N N 122.121 0.3 1 597 52 52 VAL H H 7.227 0.020 1 598 52 52 VAL HA H 4.564 0.020 1 599 52 52 VAL HB H 2.026 0.020 1 600 52 52 VAL HG1 H 0.832 0.020 2 601 52 52 VAL HG2 H 0.802 0.020 2 602 52 52 VAL C C 172.701 0.3 1 603 52 52 VAL CA C 59.691 0.3 1 604 52 52 VAL CB C 35.253 0.3 1 605 52 52 VAL CG1 C 21.075 0.3 2 606 52 52 VAL CG2 C 19.003 0.3 2 607 52 52 VAL N N 113.403 0.3 1 608 53 53 PHE H H 8.826 0.020 1 609 53 53 PHE HA H 5.132 0.020 1 610 53 53 PHE HB2 H 3.069 0.020 2 611 53 53 PHE HB3 H 2.547 0.020 2 612 53 53 PHE HD1 H 6.895 0.020 1 613 53 53 PHE HD2 H 6.895 0.020 1 614 53 53 PHE HE1 H 7.041 0.020 1 615 53 53 PHE HE2 H 7.041 0.020 1 616 53 53 PHE HZ H 7.183 0.020 1 617 53 53 PHE C C 174.364 0.3 1 618 53 53 PHE CA C 56.071 0.3 1 619 53 53 PHE CB C 41.828 0.3 1 620 53 53 PHE CD1 C 131.159 0.3 1 621 53 53 PHE CD2 C 131.159 0.3 1 622 53 53 PHE CE1 C 130.112 0.3 1 623 53 53 PHE CE2 C 130.112 0.3 1 624 53 53 PHE CZ C 129.028 0.3 1 625 53 53 PHE N N 123.945 0.3 1 626 54 54 ILE H H 8.817 0.020 1 627 54 54 ILE HA H 4.032 0.020 1 628 54 54 ILE HB H 1.683 0.020 1 629 54 54 ILE HD1 H 0.541 0.020 1 630 54 54 ILE HG12 H 1.228 0.020 2 631 54 54 ILE HG13 H 0.788 0.020 2 632 54 54 ILE HG2 H 0.596 0.020 1 633 54 54 ILE C C 172.891 0.3 1 634 54 54 ILE CA C 60.165 0.3 1 635 54 54 ILE CB C 39.798 0.3 1 636 54 54 ILE CD1 C 12.962 0.3 1 637 54 54 ILE CG1 C 27.230 0.3 1 638 54 54 ILE CG2 C 17.350 0.3 1 639 54 54 ILE N N 131.393 0.3 1 640 55 55 LYS H H 8.391 0.020 1 641 55 55 LYS HA H 4.340 0.020 1 642 55 55 LYS HB2 H 1.596 0.020 2 643 55 55 LYS HB3 H 1.426 0.020 2 644 55 55 LYS HD2 H 1.572 0.020 1 645 55 55 LYS HD3 H 1.572 0.020 1 646 55 55 LYS HE2 H 2.394 0.020 2 647 55 55 LYS HE3 H 2.382 0.020 2 648 55 55 LYS HG2 H 1.428 0.020 2 649 55 55 LYS HG3 H 1.401 0.020 2 650 55 55 LYS C C 174.504 0.3 1 651 55 55 LYS CA C 55.060 0.3 1 652 55 55 LYS CB C 35.047 0.3 1 653 55 55 LYS CD C 28.843 0.3 1 654 55 55 LYS CE C 40.164 0.3 1 655 55 55 LYS CG C 26.688 0.3 1 656 55 55 LYS N N 128.385 0.3 1 657 56 56 ASN H H 8.968 0.020 1 658 56 56 ASN HA H 4.758 0.020 1 659 56 56 ASN HB2 H 2.416 0.020 2 660 56 56 ASN HB3 H 1.354 0.020 2 661 56 56 ASN HD21 H 6.966 0.020 2 662 56 56 ASN HD22 H 5.503 0.020 2 663 56 56 ASN C C 173.134 0.3 1 664 56 56 ASN CA C 51.706 0.3 1 665 56 56 ASN CB C 41.902 0.3 1 666 56 56 ASN CG C 174.756 0.3 1 667 56 56 ASN N N 125.195 0.3 1 668 56 56 ASN ND2 N 105.425 0.3 1 669 57 57 HIS H H 7.929 0.020 1 670 57 57 HIS HA H 3.906 0.020 1 671 57 57 HIS HB2 H 3.290 0.020 2 672 57 57 HIS HB3 H 2.258 0.020 2 673 57 57 HIS HD1 H 11.315 0.020 1 674 57 57 HIS HD2 H 7.167 0.020 1 675 57 57 HIS HE1 H 7.735 0.020 1 676 57 57 HIS C C 174.432 0.3 1 677 57 57 HIS CA C 57.515 0.3 1 678 57 57 HIS CB C 27.440 0.3 1 679 57 57 HIS CE1 C 136.684 0.3 1 680 57 57 HIS N N 129.409 0.3 1 681 57 57 HIS ND1 N 203.283 0.3 1 682 58 58 VAL H H 6.821 0.020 1 683 58 58 VAL HA H 4.660 0.020 1 684 58 58 VAL HB H 1.236 0.020 1 685 58 58 VAL HG1 H 0.560 0.020 2 686 58 58 VAL HG2 H 0.053 0.020 2 687 58 58 VAL C C 174.605 0.3 1 688 58 58 VAL CA C 58.345 0.3 1 689 58 58 VAL CB C 33.521 0.3 1 690 58 58 VAL CG1 C 20.441 0.3 2 691 58 58 VAL CG2 C 17.262 0.3 2 692 58 58 VAL N N 117.194 0.3 1 693 59 59 ASN H H 8.442 0.020 1 694 59 59 ASN HA H 4.832 0.020 1 695 59 59 ASN HB2 H 3.297 0.020 2 696 59 59 ASN HB3 H 2.350 0.020 2 697 59 59 ASN HD21 H 6.759 0.020 2 698 59 59 ASN HD22 H 6.187 0.020 2 699 59 59 ASN C C 176.193 0.3 1 700 59 59 ASN CA C 50.407 0.3 1 701 59 59 ASN CB C 38.378 0.3 1 702 59 59 ASN CG C 177.366 0.3 1 703 59 59 ASN N N 115.050 0.3 1 704 59 59 ASN ND2 N 107.510 0.3 1 705 60 60 PHE H H 6.145 0.020 1 706 60 60 PHE HA H 4.825 0.020 1 707 60 60 PHE HB2 H 3.697 0.020 2 708 60 60 PHE HB3 H 2.734 0.020 2 709 60 60 PHE HD1 H 6.975 0.020 1 710 60 60 PHE HD2 H 6.975 0.020 1 711 60 60 PHE HE1 H 6.602 0.020 1 712 60 60 PHE HE2 H 6.602 0.020 1 713 60 60 PHE C C 176.730 0.3 1 714 60 60 PHE CA C 53.926 0.3 1 715 60 60 PHE CB C 38.416 0.3 1 716 60 60 PHE CD1 C 130.848 0.3 1 717 60 60 PHE CD2 C 130.848 0.3 1 718 60 60 PHE CE1 C 127.680 0.3 1 719 60 60 PHE CE2 C 127.680 0.3 1 720 60 60 PHE N N 108.368 0.3 1 721 61 61 LEU H H 8.454 0.020 1 722 61 61 LEU HA H 4.029 0.020 1 723 61 61 LEU HB2 H 1.555 0.020 1 724 61 61 LEU HB3 H 1.203 0.020 1 725 61 61 LEU HD1 H 0.758 0.020 2 726 61 61 LEU HD2 H 0.791 0.020 2 727 61 61 LEU HG H 1.687 0.020 1 728 61 61 LEU C C 178.309 0.3 1 729 61 61 LEU CA C 56.959 0.3 1 730 61 61 LEU CB C 41.748 0.3 1 731 61 61 LEU CD1 C 24.122 0.3 1 732 61 61 LEU CD2 C 24.317 0.3 1 733 61 61 LEU CG C 29.175 0.3 1 734 61 61 LEU N N 126.708 0.3 1 735 62 62 GLY H H 8.477 0.020 1 736 62 62 GLY HA2 H 4.101 0.020 2 737 62 62 GLY HA3 H 3.634 0.020 2 738 62 62 GLY C C 174.801 0.3 1 739 62 62 GLY CA C 44.721 0.3 1 740 62 62 GLY N N 108.153 0.3 1 741 63 63 GLY H H 8.289 0.020 1 742 63 63 GLY HA2 H 3.990 0.020 2 743 63 63 GLY HA3 H 3.492 0.020 2 744 63 63 GLY C C 172.963 0.3 1 745 63 63 GLY CA C 45.488 0.3 1 746 63 63 GLY N N 108.056 0.3 1 747 64 64 VAL H H 6.934 0.020 1 748 64 64 VAL HA H 4.051 0.020 1 749 64 64 VAL HB H 1.407 0.020 1 750 64 64 VAL HG1 H 0.425 0.020 2 751 64 64 VAL HG2 H 0.190 0.020 2 752 64 64 VAL C C 175.212 0.3 1 753 64 64 VAL CA C 59.640 0.3 1 754 64 64 VAL CB C 34.285 0.3 1 755 64 64 VAL CG1 C 20.557 0.3 2 756 64 64 VAL CG2 C 19.152 0.3 2 757 64 64 VAL N N 117.248 0.3 1 758 65 65 SER H H 8.890 0.020 1 759 65 65 SER HA H 4.577 0.020 1 760 65 65 SER HB2 H 4.303 0.020 2 761 65 65 SER HB3 H 4.017 0.020 2 762 65 65 SER CA C 57.185 0.3 1 763 65 65 SER CB C 62.823 0.3 1 764 65 65 SER N N 122.847 0.3 1 765 66 66 PRO HA H 4.427 0.020 1 766 66 66 PRO HB2 H 2.429 0.020 2 767 66 66 PRO HB3 H 1.909 0.020 2 768 66 66 PRO HD2 H 3.968 0.020 2 769 66 66 PRO HD3 H 3.897 0.020 2 770 66 66 PRO HG2 H 2.122 0.020 2 771 66 66 PRO HG3 H 2.084 0.020 2 772 66 66 PRO C C 179.192 0.3 1 773 66 66 PRO CA C 65.538 0.3 1 774 66 66 PRO CB C 31.547 0.3 1 775 66 66 PRO CD C 50.821 0.3 1 776 66 66 PRO CG C 27.698 0.3 1 777 67 67 GLN H H 8.160 0.020 1 778 67 67 GLN HA H 4.020 0.020 1 779 67 67 GLN HB2 H 2.125 0.020 2 780 67 67 GLN HB3 H 1.928 0.020 2 781 67 67 GLN HE21 H 6.969 0.020 2 782 67 67 GLN HE22 H 7.462 0.020 2 783 67 67 GLN HG2 H 2.396 0.020 2 784 67 67 GLN HG3 H 2.305 0.020 2 785 67 67 GLN C C 177.840 0.3 1 786 67 67 GLN CA C 58.885 0.3 1 787 67 67 GLN CB C 28.098 0.3 1 788 67 67 GLN CD C 180.578 0.3 1 789 67 67 GLN CG C 34.064 0.3 1 790 67 67 GLN N N 117.211 0.3 1 791 67 67 GLN NE2 N 114.090 0.3 1 792 68 68 THR H H 7.676 0.020 1 793 68 68 THR HA H 4.036 0.020 1 794 68 68 THR HB H 4.280 0.020 1 795 68 68 THR HG2 H 1.332 0.020 1 796 68 68 THR C C 176.764 0.3 1 797 68 68 THR CA C 66.530 0.3 1 798 68 68 THR CB C 68.846 0.3 1 799 68 68 THR CG2 C 23.713 0.3 1 800 68 68 THR N N 118.291 0.3 1 801 69 69 GLN H H 7.549 0.020 1 802 69 69 GLN HA H 4.117 0.020 1 803 69 69 GLN HB2 H 2.152 0.020 2 804 69 69 GLN HB3 H 2.222 0.020 2 805 69 69 GLN HE21 H 6.098 0.020 2 806 69 69 GLN HE22 H 7.396 0.020 2 807 69 69 GLN HG2 H 2.366 0.020 2 808 69 69 GLN HG3 H 2.216 0.020 2 809 69 69 GLN C C 178.283 0.3 1 810 69 69 GLN CA C 60.980 0.3 1 811 69 69 GLN CB C 29.305 0.3 1 812 69 69 GLN CD C 178.548 0.3 1 813 69 69 GLN CG C 35.605 0.3 1 814 69 69 GLN N N 119.152 0.3 1 815 69 69 GLN NE2 N 118.017 0.3 1 816 70 70 SER H H 8.893 0.020 1 817 70 70 SER HA H 4.473 0.020 1 818 70 70 SER HB2 H 3.935 0.020 2 819 70 70 SER HB3 H 3.794 0.020 2 820 70 70 SER CA C 63.045 0.3 1 821 70 70 SER CB C 63.303 0.3 1 822 70 70 SER N N 117.456 0.3 1 823 71 71 ASN H H 8.379 0.020 1 824 71 71 ASN HA H 4.636 0.020 1 825 71 71 ASN HB2 H 3.175 0.020 2 826 71 71 ASN HB3 H 2.387 0.020 2 827 71 71 ASN HD21 H 6.769 0.020 2 828 71 71 ASN HD22 H 8.289 0.020 2 829 71 71 ASN C C 178.025 0.3 1 830 71 71 ASN CA C 55.545 0.3 1 831 71 71 ASN CB C 36.537 0.3 1 832 71 71 ASN N N 121.494 0.3 1 833 71 71 ASN ND2 N 110.641 0.3 1 834 72 72 LEU H H 7.446 0.020 1 835 72 72 LEU HA H 4.057 0.020 1 836 72 72 LEU HB2 H 2.137 0.020 2 837 72 72 LEU HB3 H 1.164 0.020 2 838 72 72 LEU HD1 H 0.627 0.020 2 839 72 72 LEU HD2 H 0.520 0.020 2 840 72 72 LEU HG H 1.928 0.020 1 841 72 72 LEU C C 179.281 0.3 1 842 72 72 LEU CA C 57.600 0.3 1 843 72 72 LEU CB C 40.476 0.3 1 844 72 72 LEU CD1 C 27.544 0.3 2 845 72 72 LEU CD2 C 23.981 0.3 2 846 72 72 LEU CG C 26.827 0.3 1 847 72 72 LEU N N 118.783 0.3 1 848 73 73 SER H H 8.052 0.020 1 849 73 73 SER HA H 4.488 0.020 1 850 73 73 SER HB2 H 3.984 0.020 2 851 73 73 SER HB3 H 3.932 0.020 2 852 73 73 SER CA C 63.089 0.3 1 853 73 73 SER CB C 62.454 0.3 1 854 73 73 SER N N 117.552 0.3 1 855 74 74 LEU H H 8.416 0.020 1 856 74 74 LEU HA H 3.922 0.020 1 857 74 74 LEU HB2 H 2.278 0.020 2 858 74 74 LEU HB3 H 1.180 0.020 2 859 74 74 LEU HD1 H 0.896 0.020 2 860 74 74 LEU HD2 H 0.717 0.020 2 861 74 74 LEU HG H 1.806 0.020 1 862 74 74 LEU C C 178.370 0.3 1 863 74 74 LEU CA C 58.048 0.3 1 864 74 74 LEU CB C 41.182 0.3 1 865 74 74 LEU CD1 C 25.254 0.3 2 866 74 74 LEU CD2 C 22.990 0.3 2 867 74 74 LEU CG C 26.885 0.3 1 868 74 74 LEU N N 119.691 0.3 1 869 75 75 ALA H H 8.362 0.020 1 870 75 75 ALA HA H 3.904 0.020 1 871 75 75 ALA HB H 1.447 0.020 1 872 75 75 ALA C C 178.510 0.3 1 873 75 75 ALA CA C 55.763 0.3 1 874 75 75 ALA CB C 18.879 0.3 1 875 75 75 ALA N N 120.466 0.3 1 876 76 76 TYR H H 8.380 0.020 1 877 76 76 TYR HA H 3.810 0.020 1 878 76 76 TYR HB2 H 3.442 0.020 2 879 76 76 TYR HB3 H 3.064 0.020 2 880 76 76 TYR HD1 H 7.073 0.020 1 881 76 76 TYR HD2 H 7.073 0.020 1 882 76 76 TYR HE1 H 6.835 0.020 1 883 76 76 TYR HE2 H 6.835 0.020 1 884 76 76 TYR C C 176.114 0.3 1 885 76 76 TYR CA C 62.357 0.3 1 886 76 76 TYR CB C 38.050 0.3 1 887 76 76 TYR CD1 C 132.291 0.3 1 888 76 76 TYR CD2 C 132.291 0.3 1 889 76 76 TYR CE1 C 117.845 0.3 1 890 76 76 TYR CE2 C 117.845 0.3 1 891 76 76 TYR N N 117.567 0.3 1 892 77 77 LEU H H 8.168 0.020 1 893 77 77 LEU HA H 3.742 0.020 1 894 77 77 LEU HB2 H 2.157 0.020 1 895 77 77 LEU HB3 H 1.320 0.020 1 896 77 77 LEU HD1 H 0.932 0.020 2 897 77 77 LEU HD2 H 1.002 0.020 2 898 77 77 LEU HG H 2.045 0.020 1 899 77 77 LEU C C 180.310 0.3 1 900 77 77 LEU CA C 57.746 0.3 1 901 77 77 LEU CB C 42.701 0.3 1 902 77 77 LEU CD1 C 26.201 0.3 1 903 77 77 LEU CD2 C 22.959 0.3 1 904 77 77 LEU CG C 27.696 0.3 1 905 77 77 LEU N N 119.821 0.3 1 906 78 78 VAL H H 8.908 0.020 1 907 78 78 VAL HA H 3.424 0.020 1 908 78 78 VAL HB H 2.184 0.020 1 909 78 78 VAL HG1 H 0.900 0.020 2 910 78 78 VAL HG2 H 1.150 0.020 2 911 78 78 VAL C C 177.462 0.3 1 912 78 78 VAL CA C 67.021 0.3 1 913 78 78 VAL CB C 31.849 0.3 1 914 78 78 VAL CG1 C 23.856 0.3 2 915 78 78 VAL CG2 C 21.884 0.3 2 916 78 78 VAL N N 122.924 0.3 1 917 79 79 ALA H H 8.406 0.020 1 918 79 79 ALA HA H 3.724 0.020 1 919 79 79 ALA HB H 1.173 0.020 1 920 79 79 ALA C C 179.922 0.3 1 921 79 79 ALA CA C 55.450 0.3 1 922 79 79 ALA CB C 17.816 0.3 1 923 79 79 ALA N N 121.859 0.3 1 924 80 80 LYS H H 8.587 0.020 1 925 80 80 LYS HA H 3.886 0.020 1 926 80 80 LYS HB2 H 1.770 0.020 2 927 80 80 LYS HB3 H 1.285 0.020 2 928 80 80 LYS HD2 H 1.642 0.020 2 929 80 80 LYS HD3 H 1.521 0.020 2 930 80 80 LYS HE2 H 2.997 0.020 1 931 80 80 LYS HE3 H 2.997 0.020 1 932 80 80 LYS HG2 H 1.270 0.020 2 933 80 80 LYS HG3 H 1.134 0.020 2 934 80 80 LYS C C 179.578 0.3 1 935 80 80 LYS CA C 58.874 0.3 1 936 80 80 LYS CB C 32.137 0.3 1 937 80 80 LYS CD C 29.394 0.3 1 938 80 80 LYS CE C 41.977 0.3 1 939 80 80 LYS CG C 24.235 0.3 1 940 80 80 LYS N N 119.037 0.3 1 941 81 81 LYS H H 7.880 0.020 1 942 81 81 LYS HA H 3.836 0.020 1 943 81 81 LYS HB2 H 1.939 0.020 2 944 81 81 LYS HB3 H 1.722 0.020 2 945 81 81 LYS HD2 H 1.303 0.020 2 946 81 81 LYS HD3 H 1.205 0.020 2 947 81 81 LYS HE2 H 2.620 0.020 2 948 81 81 LYS HE3 H 2.755 0.020 2 949 81 81 LYS HG2 H 1.118 0.020 2 950 81 81 LYS HG3 H 0.295 0.020 2 951 81 81 LYS C C 177.179 0.3 1 952 81 81 LYS CA C 59.110 0.3 1 953 81 81 LYS CB C 31.730 0.3 1 954 81 81 LYS CD C 29.226 0.3 1 955 81 81 LYS CE C 42.134 0.3 1 956 81 81 LYS CG C 24.746 0.3 1 957 81 81 LYS N N 122.614 0.3 1 958 82 82 HIS H H 7.146 0.020 1 959 82 82 HIS HA H 4.470 0.020 1 960 82 82 HIS HB2 H 3.557 0.020 2 961 82 82 HIS HB3 H 2.585 0.020 2 962 82 82 HIS HD2 H 7.504 0.020 1 963 82 82 HIS HE1 H 7.719 0.020 1 964 82 82 HIS C C 174.609 0.3 1 965 82 82 HIS CA C 55.882 0.3 1 966 82 82 HIS CB C 30.099 0.3 1 967 82 82 HIS CD2 C 120.576 0.3 1 968 82 82 HIS CE1 C 138.857 0.3 1 969 82 82 HIS N N 113.795 0.3 1 970 83 83 GLY H H 7.804 0.020 1 971 83 83 GLY HA2 H 4.024 0.020 2 972 83 83 GLY HA3 H 4.077 0.020 2 973 83 83 GLY C C 175.457 0.3 1 974 83 83 GLY CA C 46.777 0.3 1 975 83 83 GLY N N 108.719 0.3 1 976 84 84 GLN H H 8.237 0.020 1 977 84 84 GLN HA H 4.936 0.020 1 978 84 84 GLN HB2 H 2.605 0.020 2 979 84 84 GLN HB3 H 1.385 0.020 2 980 84 84 GLN HE21 H 6.722 0.020 2 981 84 84 GLN HE22 H 7.175 0.020 2 982 84 84 GLN HG2 H 2.220 0.020 2 983 84 84 GLN HG3 H 2.190 0.020 2 984 84 84 GLN C C 175.896 0.3 1 985 84 84 GLN CA C 53.733 0.3 1 986 84 84 GLN CB C 30.591 0.3 1 987 84 84 GLN CD C 179.485 0.3 1 988 84 84 GLN CG C 32.909 0.3 1 989 84 84 GLN N N 116.672 0.3 1 990 84 84 GLN NE2 N 110.404 0.3 1 991 85 85 ALA H H 8.308 0.020 1 992 85 85 ALA HA H 3.623 0.020 1 993 85 85 ALA HB H 1.184 0.020 1 994 85 85 ALA C C 179.713 0.3 1 995 85 85 ALA CA C 56.293 0.3 1 996 85 85 ALA CB C 17.652 0.3 1 997 85 85 ALA N N 122.405 0.3 1 998 86 86 ASP H H 8.757 0.020 1 999 86 86 ASP HA H 4.434 0.020 1 1000 86 86 ASP HB2 H 2.649 0.020 1 1001 86 86 ASP HB3 H 2.649 0.020 1 1002 86 86 ASP C C 178.950 0.3 1 1003 86 86 ASP CA C 57.585 0.3 1 1004 86 86 ASP CB C 39.203 0.3 1 1005 86 86 ASP N N 118.842 0.3 1 1006 87 87 THR H H 8.055 0.020 1 1007 87 87 THR HA H 4.116 0.020 1 1008 87 87 THR HB H 4.086 0.020 1 1009 87 87 THR HG2 H 1.220 0.020 1 1010 87 87 THR C C 176.464 0.3 1 1011 87 87 THR CA C 65.120 0.3 1 1012 87 87 THR CB C 68.529 0.3 1 1013 87 87 THR CG2 C 21.940 0.3 1 1014 87 87 THR N N 116.411 0.3 1 1015 88 88 ILE H H 8.069 0.020 1 1016 88 88 ILE HA H 3.646 0.020 1 1017 88 88 ILE HB H 1.826 0.020 1 1018 88 88 ILE HD1 H 0.621 0.020 1 1019 88 88 ILE HG12 H 1.553 0.020 2 1020 88 88 ILE HG13 H 1.208 0.020 2 1021 88 88 ILE HG2 H 0.615 0.020 1 1022 88 88 ILE C C 177.005 0.3 1 1023 88 88 ILE CA C 62.566 0.3 1 1024 88 88 ILE CB C 34.853 0.3 1 1025 88 88 ILE CD1 C 10.040 0.3 1 1026 88 88 ILE CG1 C 28.830 0.3 1 1027 88 88 ILE CG2 C 17.227 0.3 1 1028 88 88 ILE N N 120.592 0.3 1 1029 89 89 THR H H 8.432 0.020 1 1030 89 89 THR HA H 4.006 0.020 1 1031 89 89 THR HB H 4.503 0.020 1 1032 89 89 THR HG2 H 1.542 0.020 1 1033 89 89 THR C C 175.474 0.3 1 1034 89 89 THR CA C 68.001 0.3 1 1035 89 89 THR CB C 68.412 0.3 1 1036 89 89 THR CG2 C 21.761 0.3 1 1037 89 89 THR N N 118.045 0.3 1 1038 90 90 ASP H H 7.222 0.020 1 1039 90 90 ASP HA H 4.735 0.020 1 1040 90 90 ASP HB2 H 2.866 0.020 1 1041 90 90 ASP HB3 H 2.866 0.020 1 1042 90 90 ASP C C 177.602 0.3 1 1043 90 90 ASP CA C 57.776 0.3 1 1044 90 90 ASP CB C 42.300 0.3 1 1045 90 90 ASP N N 119.639 0.3 1 1046 91 91 LYS H H 8.063 0.020 1 1047 91 91 LYS HA H 3.945 0.020 1 1048 91 91 LYS HB2 H 1.879 0.020 2 1049 91 91 LYS HB3 H 1.706 0.020 2 1050 91 91 LYS HD2 H 1.641 0.020 2 1051 91 91 LYS HD3 H 1.518 0.020 2 1052 91 91 LYS HE2 H 2.909 0.020 2 1053 91 91 LYS HE3 H 2.791 0.020 2 1054 91 91 LYS HG2 H 1.315 0.020 2 1055 91 91 LYS HG3 H 1.201 0.020 2 1056 91 91 LYS C C 180.360 0.3 1 1057 91 91 LYS CA C 58.062 0.3 1 1058 91 91 LYS CB C 31.679 0.3 1 1059 91 91 LYS CD C 29.190 0.3 1 1060 91 91 LYS CE C 41.934 0.3 1 1061 91 91 LYS CG C 24.504 0.3 1 1062 91 91 LYS N N 115.231 0.3 1 1063 92 92 ILE H H 8.690 0.020 1 1064 92 92 ILE HA H 3.193 0.020 1 1065 92 92 ILE HB H 1.098 0.020 1 1066 92 92 ILE HD1 H 0.049 0.020 1 1067 92 92 ILE HG12 H 1.564 0.020 2 1068 92 92 ILE HG13 H 0.123 0.020 2 1069 92 92 ILE HG2 H -0.447 0.020 1 1070 92 92 ILE C C 177.326 0.3 1 1071 92 92 ILE CA C 66.207 0.3 1 1072 92 92 ILE CB C 37.051 0.3 1 1073 92 92 ILE CD1 C 13.285 0.3 1 1074 92 92 ILE CG1 C 29.459 0.3 1 1075 92 92 ILE CG2 C 18.034 0.3 1 1076 92 92 ILE N N 122.563 0.3 1 1077 93 93 PHE H H 8.207 0.020 1 1078 93 93 PHE HA H 4.264 0.020 1 1079 93 93 PHE HB2 H 3.296 0.020 2 1080 93 93 PHE HB3 H 2.776 0.020 2 1081 93 93 PHE HD1 H 7.586 0.020 1 1082 93 93 PHE HD2 H 7.586 0.020 1 1083 93 93 PHE HE1 H 7.263 0.020 1 1084 93 93 PHE HE2 H 7.263 0.020 1 1085 93 93 PHE HZ H 7.200 0.020 1 1086 93 93 PHE C C 179.282 0.3 1 1087 93 93 PHE CA C 63.206 0.3 1 1088 93 93 PHE CB C 39.083 0.3 1 1089 93 93 PHE CD1 C 131.979 0.3 1 1090 93 93 PHE CD2 C 131.979 0.3 1 1091 93 93 PHE CE1 C 131.766 0.3 1 1092 93 93 PHE CE2 C 131.766 0.3 1 1093 93 93 PHE CZ C 130.914 0.3 1 1094 93 93 PHE N N 117.709 0.3 1 1095 94 94 LYS H H 8.581 0.020 1 1096 94 94 LYS HA H 3.715 0.020 1 1097 94 94 LYS HB2 H 1.842 0.020 2 1098 94 94 LYS HB3 H 1.819 0.020 2 1099 94 94 LYS HD2 H 1.577 0.020 2 1100 94 94 LYS HD3 H 1.515 0.020 2 1101 94 94 LYS HE2 H 3.034 0.020 2 1102 94 94 LYS HE3 H 2.991 0.020 2 1103 94 94 LYS HG2 H 1.720 0.020 2 1104 94 94 LYS HG3 H 1.437 0.020 2 1105 94 94 LYS C C 179.157 0.3 1 1106 94 94 LYS CA C 60.012 0.3 1 1107 94 94 LYS CB C 32.216 0.3 1 1108 94 94 LYS CD C 29.219 0.3 1 1109 94 94 LYS CE C 41.991 0.3 1 1110 94 94 LYS CG C 27.173 0.3 1 1111 94 94 LYS N N 115.652 0.3 1 1112 95 95 SER H H 8.048 0.020 1 1113 95 95 SER HA H 4.110 0.020 1 1114 95 95 SER HB2 H 4.070 0.020 2 1115 95 95 SER HB3 H 3.837 0.020 2 1116 95 95 SER C C 179.187 0.3 1 1117 95 95 SER CA C 61.758 0.3 1 1118 95 95 SER CB C 63.960 0.3 1 1119 95 95 SER N N 116.591 0.3 1 1120 96 96 ILE H H 7.430 0.020 1 1121 96 96 ILE HA H 3.275 0.020 1 1122 96 96 ILE HB H 1.164 0.020 1 1123 96 96 ILE HD1 H -0.185 0.020 1 1124 96 96 ILE HG12 H 1.447 0.020 2 1125 96 96 ILE HG13 H 0.612 0.020 2 1126 96 96 ILE HG2 H 0.001 0.020 1 1127 96 96 ILE C C 178.379 0.3 1 1128 96 96 ILE CA C 64.868 0.3 1 1129 96 96 ILE CB C 40.254 0.3 1 1130 96 96 ILE CD1 C 14.488 0.3 1 1131 96 96 ILE CG1 C 28.798 0.3 1 1132 96 96 ILE CG2 C 16.567 0.3 1 1133 96 96 ILE N N 117.285 0.3 1 1134 97 97 HIS H H 8.066 0.020 1 1135 97 97 HIS HA H 4.169 0.020 1 1136 97 97 HIS HB2 H 2.886 0.020 2 1137 97 97 HIS HB3 H 2.180 0.020 2 1138 97 97 HIS HD2 H 7.470 0.020 1 1139 97 97 HIS HE1 H 8.034 0.020 1 1140 97 97 HIS C C 176.408 0.3 1 1141 97 97 HIS CA C 58.713 0.3 1 1142 97 97 HIS CB C 32.279 0.3 1 1143 97 97 HIS CD2 C 119.227 0.3 1 1144 97 97 HIS CE1 C 137.468 0.3 1 1145 97 97 HIS N N 114.093 0.3 1 1146 98 98 VAL H H 8.103 0.020 1 1147 98 98 VAL HA H 4.199 0.020 1 1148 98 98 VAL HB H 2.409 0.020 1 1149 98 98 VAL HG1 H 1.071 0.020 2 1150 98 98 VAL HG2 H 0.938 0.020 2 1151 98 98 VAL C C 177.147 0.3 1 1152 98 98 VAL CA C 64.249 0.3 1 1153 98 98 VAL CB C 32.071 0.3 1 1154 98 98 VAL CG1 C 21.312 0.3 2 1155 98 98 VAL CG2 C 20.879 0.3 2 1156 98 98 VAL N N 119.122 0.3 1 1157 99 99 GLN H H 7.972 0.020 1 1158 99 99 GLN HA H 4.126 0.020 1 1159 99 99 GLN HB2 H 2.370 0.020 2 1160 99 99 GLN HB3 H 2.229 0.020 2 1161 99 99 GLN HE21 H 6.668 0.020 2 1162 99 99 GLN HE22 H 7.419 0.020 2 1163 99 99 GLN HG2 H 2.349 0.020 2 1164 99 99 GLN HG3 H 2.232 0.020 2 1165 99 99 GLN C C 175.517 0.3 1 1166 99 99 GLN CA C 56.533 0.3 1 1167 99 99 GLN CB C 28.239 0.3 1 1168 99 99 GLN CD C 179.753 0.3 1 1169 99 99 GLN CG C 34.229 0.3 1 1170 99 99 GLN N N 116.477 0.3 1 1171 99 99 GLN NE2 N 111.296 0.3 1 1172 100 100 ARG H H 6.966 0.020 1 1173 100 100 ARG HA H 3.754 0.020 1 1174 100 100 ARG HB2 H 2.005 0.020 2 1175 100 100 ARG HB3 H 1.805 0.020 2 1176 100 100 ARG HD2 H 3.088 0.020 2 1177 100 100 ARG HD3 H 3.030 0.020 2 1178 100 100 ARG HG2 H 1.411 0.020 2 1179 100 100 ARG HG3 H 1.364 0.020 2 1180 100 100 ARG C C 174.201 0.3 1 1181 100 100 ARG CA C 56.277 0.3 1 1182 100 100 ARG CB C 25.735 0.3 1 1183 100 100 ARG CD C 42.848 0.3 1 1184 100 100 ARG CG C 26.716 0.3 1 1185 100 100 ARG N N 112.500 0.3 1 1186 101 101 ALA H H 8.367 0.020 1 1187 101 101 ALA HA H 4.833 0.020 1 1188 101 101 ALA HB H 1.060 0.020 1 1189 101 101 ALA C C 175.548 0.3 1 1190 101 101 ALA CA C 48.496 0.3 1 1191 101 101 ALA CB C 18.483 0.3 1 1192 101 101 ALA N N 124.589 0.3 1 1193 102 102 PRO HA H 4.194 0.020 1 1194 102 102 PRO HB2 H 2.167 0.020 2 1195 102 102 PRO HB3 H 2.107 0.020 2 1196 102 102 PRO HD2 H 3.786 0.020 2 1197 102 102 PRO HD3 H 3.632 0.020 2 1198 102 102 PRO HG2 H 1.934 0.020 2 1199 102 102 PRO HG3 H 1.892 0.020 2 1200 102 102 PRO C C 175.008 0.3 1 1201 102 102 PRO CA C 64.080 0.3 1 1202 102 102 PRO CB C 31.856 0.3 1 1203 102 102 PRO CD C 50.632 0.3 1 1204 102 102 PRO CG C 26.727 0.3 1 1205 103 103 LEU H H 8.348 0.020 1 1206 103 103 LEU HA H 3.643 0.020 1 1207 103 103 LEU HB2 H 1.836 0.020 1 1208 103 103 LEU HB3 H 1.149 0.020 1 1209 103 103 LEU HD1 H 1.502 0.020 2 1210 103 103 LEU HD2 H 0.478 0.020 2 1211 103 103 LEU HG H 0.597 0.020 1 1212 103 103 LEU C C 174.362 0.3 1 1213 103 103 LEU CA C 54.609 0.3 1 1214 103 103 LEU CB C 39.127 0.3 1 1215 103 103 LEU CD1 C 25.439 0.3 1 1216 103 103 LEU CD2 C 22.500 0.3 1 1217 103 103 LEU CG C 27.346 0.3 1 1218 103 103 LEU N N 116.387 0.3 1 1219 104 104 THR H H 7.294 0.020 1 1220 104 104 THR HA H 4.022 0.020 1 1221 104 104 THR HB H 4.194 0.020 1 1222 104 104 THR HG2 H 1.112 0.020 1 1223 104 104 THR C C 175.915 0.3 1 1224 104 104 THR CA C 62.894 0.3 1 1225 104 104 THR CB C 68.392 0.3 1 1226 104 104 THR CG2 C 22.308 0.3 1 1227 104 104 THR N N 106.536 0.3 1 1228 105 105 GLU H H 8.110 0.020 1 1229 105 105 GLU HA H 4.560 0.020 1 1230 105 105 GLU HB2 H 2.084 0.020 2 1231 105 105 GLU HB3 H 1.901 0.020 2 1232 105 105 GLU HG2 H 2.209 0.020 2 1233 105 105 GLU HG3 H 2.170 0.020 2 1234 105 105 GLU C C 177.811 0.3 1 1235 105 105 GLU CA C 54.180 0.3 1 1236 105 105 GLU CB C 30.025 0.3 1 1237 105 105 GLU CG C 35.874 0.3 1 1238 105 105 GLU N N 120.989 0.3 1 1239 106 106 ILE H H 8.922 0.020 1 1240 106 106 ILE HA H 3.867 0.020 1 1241 106 106 ILE HB H 1.864 0.020 1 1242 106 106 ILE HD1 H 0.878 0.020 1 1243 106 106 ILE HG12 H 1.391 0.020 2 1244 106 106 ILE HG13 H 1.362 0.020 2 1245 106 106 ILE HG2 H 0.901 0.020 1 1246 106 106 ILE C C 177.032 0.3 1 1247 106 106 ILE CA C 63.269 0.3 1 1248 106 106 ILE CB C 37.419 0.3 1 1249 106 106 ILE CD1 C 12.695 0.3 1 1250 106 106 ILE CG1 C 29.390 0.3 1 1251 106 106 ILE CG2 C 17.071 0.3 1 1252 106 106 ILE N N 127.749 0.3 1 1253 107 107 LYS H H 8.568 0.020 1 1254 107 107 LYS HA H 3.849 0.020 1 1255 107 107 LYS HB2 H 1.737 0.020 2 1256 107 107 LYS HB3 H 1.646 0.020 2 1257 107 107 LYS HD2 H 1.568 0.020 2 1258 107 107 LYS HD3 H 1.513 0.020 2 1259 107 107 LYS HE2 H 2.860 0.020 2 1260 107 107 LYS HE3 H 2.798 0.020 2 1261 107 107 LYS HG2 H 1.316 0.020 2 1262 107 107 LYS HG3 H 1.208 0.020 2 1263 107 107 LYS C C 178.612 0.3 1 1264 107 107 LYS CA C 59.349 0.3 1 1265 107 107 LYS CB C 31.557 0.3 1 1266 107 107 LYS CD C 29.142 0.3 1 1267 107 107 LYS CE C 41.884 0.3 1 1268 107 107 LYS CG C 24.505 0.3 1 1269 107 107 LYS N N 120.093 0.3 1 1270 108 108 ASP H H 7.189 0.020 1 1271 108 108 ASP HA H 4.357 0.020 1 1272 108 108 ASP HB2 H 2.595 0.020 2 1273 108 108 ASP HB3 H 2.554 0.020 2 1274 108 108 ASP C C 178.504 0.3 1 1275 108 108 ASP CA C 56.754 0.3 1 1276 108 108 ASP CB C 40.687 0.3 1 1277 108 108 ASP N N 119.650 0.3 1 1278 109 109 LEU H H 7.230 0.020 1 1279 109 109 LEU HA H 3.840 0.020 1 1280 109 109 LEU HB2 H 1.768 0.020 2 1281 109 109 LEU HB3 H 1.321 0.020 2 1282 109 109 LEU HD1 H 0.774 0.020 2 1283 109 109 LEU HD2 H 0.612 0.020 2 1284 109 109 LEU HG H 1.141 0.020 1 1285 109 109 LEU C C 177.424 0.3 1 1286 109 109 LEU CA C 57.488 0.3 1 1287 109 109 LEU CB C 41.651 0.3 1 1288 109 109 LEU CD1 C 25.194 0.3 2 1289 109 109 LEU CD2 C 22.617 0.3 2 1290 109 109 LEU CG C 26.727 0.3 1 1291 109 109 LEU N N 123.574 0.3 1 1292 110 110 LYS H H 8.458 0.020 1 1293 110 110 LYS HA H 3.182 0.020 1 1294 110 110 LYS HB2 H 1.526 0.020 2 1295 110 110 LYS HB3 H 1.384 0.020 2 1296 110 110 LYS HE2 H 2.689 0.020 1 1297 110 110 LYS HE3 H 2.689 0.020 1 1298 110 110 LYS HG2 H 1.052 0.020 2 1299 110 110 LYS HG3 H 0.526 0.020 2 1300 110 110 LYS C C 178.865 0.3 1 1301 110 110 LYS CA C 59.884 0.3 1 1302 110 110 LYS CB C 31.598 0.3 1 1303 110 110 LYS CD C 29.605 0.3 1 1304 110 110 LYS CE C 41.605 0.3 1 1305 110 110 LYS CG C 26.123 0.3 1 1306 110 110 LYS N N 116.700 0.3 1 1307 111 111 LYS H H 7.304 0.020 1 1308 111 111 LYS HA H 3.978 0.020 1 1309 111 111 LYS HB2 H 1.847 0.020 2 1310 111 111 LYS HB3 H 1.783 0.020 2 1311 111 111 LYS HD2 H 1.583 0.020 2 1312 111 111 LYS HD3 H 1.497 0.020 2 1313 111 111 LYS HE2 H 2.851 0.020 2 1314 111 111 LYS HE3 H 2.784 0.020 2 1315 111 111 LYS HG2 H 1.441 0.020 2 1316 111 111 LYS HG3 H 1.354 0.020 2 1317 111 111 LYS C C 177.181 0.3 1 1318 111 111 LYS CA C 58.930 0.3 1 1319 111 111 LYS CB C 31.886 0.3 1 1320 111 111 LYS CD C 28.843 0.3 1 1321 111 111 LYS CE C 41.756 0.3 1 1322 111 111 LYS CG C 24.311 0.3 1 1323 111 111 LYS N N 119.650 0.3 1 1324 112 112 LEU H H 7.061 0.020 1 1325 112 112 LEU HA H 3.906 0.020 1 1326 112 112 LEU HB2 H 1.738 0.020 2 1327 112 112 LEU HB3 H 1.519 0.020 2 1328 112 112 LEU HD1 H 0.736 0.020 2 1329 112 112 LEU HD2 H 0.567 0.020 2 1330 112 112 LEU HG H 1.346 0.020 1 1331 112 112 LEU C C 179.360 0.3 1 1332 112 112 LEU CA C 58.162 0.3 1 1333 112 112 LEU CB C 41.172 0.3 1 1334 112 112 LEU CD1 C 25.581 0.3 2 1335 112 112 LEU CD2 C 25.791 0.3 2 1336 112 112 LEU CG C 27.268 0.3 1 1337 112 112 LEU N N 119.566 0.3 1 1338 113 113 LEU H H 7.832 0.020 1 1339 113 113 LEU HA H 3.606 0.020 1 1340 113 113 LEU HB2 H 1.640 0.020 2 1341 113 113 LEU HB3 H 1.565 0.020 2 1342 113 113 LEU HD1 H 0.478 0.020 2 1343 113 113 LEU HD2 H 0.690 0.020 2 1344 113 113 LEU HG H 1.503 0.020 1 1345 113 113 LEU C C 178.045 0.3 1 1346 113 113 LEU CA C 59.534 0.3 1 1347 113 113 LEU CB C 39.529 0.3 1 1348 113 113 LEU CD1 C 25.062 0.3 2 1349 113 113 LEU CD2 C 23.857 0.3 2 1350 113 113 LEU CG C 29.237 0.3 1 1351 113 113 LEU N N 120.725 0.3 1 1352 114 114 ASP H H 8.129 0.020 1 1353 114 114 ASP HA H 4.164 0.020 1 1354 114 114 ASP HB2 H 2.676 0.020 2 1355 114 114 ASP HB3 H 2.650 0.020 2 1356 114 114 ASP C C 180.578 0.3 1 1357 114 114 ASP CA C 57.478 0.3 1 1358 114 114 ASP CB C 42.603 0.3 1 1359 114 114 ASP N N 121.765 0.3 1 1360 115 115 ILE H H 7.921 0.020 1 1361 115 115 ILE HA H 3.904 0.020 1 1362 115 115 ILE HB H 1.888 0.020 1 1363 115 115 ILE HD1 H 0.753 0.020 1 1364 115 115 ILE HG12 H 1.487 0.020 2 1365 115 115 ILE HG13 H 1.291 0.020 2 1366 115 115 ILE HG2 H 0.856 0.020 1 1367 115 115 ILE C C 176.536 0.3 1 1368 115 115 ILE CA C 63.416 0.3 1 1369 115 115 ILE CB C 37.680 0.3 1 1370 115 115 ILE CD1 C 13.478 0.3 1 1371 115 115 ILE CG1 C 27.800 0.3 1 1372 115 115 ILE CG2 C 17.037 0.3 1 1373 115 115 ILE N N 117.121 0.3 1 1374 116 116 ASN H H 7.167 0.020 1 1375 116 116 ASN HA H 4.698 0.020 1 1376 116 116 ASN HB2 H 2.847 0.020 2 1377 116 116 ASN HB3 H 2.302 0.020 2 1378 116 116 ASN HD21 H 7.217 0.020 2 1379 116 116 ASN HD22 H 7.892 0.020 2 1380 116 116 ASN C C 173.704 0.3 1 1381 116 116 ASN CA C 53.948 0.3 1 1382 116 116 ASN CB C 40.750 0.3 1 1383 116 116 ASN N N 117.142 0.3 1 1384 116 116 ASN ND2 N 116.117 0.3 1 1385 117 117 GLY H H 7.425 0.020 1 1386 117 117 GLY HA2 H 3.650 0.020 2 1387 117 117 GLY HA3 H 4.220 0.020 2 1388 117 117 GLY C C 174.157 0.3 1 1389 117 117 GLY CA C 45.961 0.3 1 1390 117 117 GLY N N 104.525 0.3 1 1391 118 118 ILE H H 8.137 0.020 1 1392 118 118 ILE HA H 4.053 0.020 1 1393 118 118 ILE HB H 1.487 0.020 1 1394 118 118 ILE HD1 H 0.595 0.020 1 1395 118 118 ILE HG12 H 1.201 0.020 2 1396 118 118 ILE HG13 H 0.676 0.020 2 1397 118 118 ILE HG2 H 0.519 0.020 1 1398 118 118 ILE C C 173.429 0.3 1 1399 118 118 ILE CA C 59.765 0.3 1 1400 118 118 ILE CB C 37.655 0.3 1 1401 118 118 ILE CD1 C 13.537 0.3 1 1402 118 118 ILE CG1 C 26.464 0.3 1 1403 118 118 ILE CG2 C 16.232 0.3 1 1404 118 118 ILE N N 123.558 0.3 1 1405 119 119 SER H H 8.365 0.020 1 1406 119 119 SER HA H 4.439 0.020 1 1407 119 119 SER HB2 H 4.184 0.020 2 1408 119 119 SER HB3 H 3.921 0.020 2 1409 119 119 SER C C 174.748 0.3 1 1410 119 119 SER CA C 57.966 0.3 1 1411 119 119 SER CB C 64.711 0.3 1 1412 119 119 SER N N 121.349 0.3 1 1413 120 120 SER H H 8.755 0.020 1 1414 120 120 SER HA H 4.231 0.020 1 1415 120 120 SER HB2 H 3.806 0.020 2 1416 120 120 SER HB3 H 3.771 0.020 2 1417 120 120 SER CA C 61.733 0.3 1 1418 120 120 SER CB C 62.775 0.3 1 1419 120 120 SER N N 117.995 0.3 1 1420 121 121 ASP H H 8.223 0.020 1 1421 121 121 ASP HA H 4.319 0.020 1 1422 121 121 ASP HB2 H 2.544 0.020 2 1423 121 121 ASP HB3 H 2.456 0.020 2 1424 121 121 ASP C C 178.415 0.3 1 1425 121 121 ASP CA C 56.820 0.3 1 1426 121 121 ASP CB C 40.066 0.3 1 1427 121 121 ASP N N 117.985 0.3 1 1428 122 122 THR H H 7.559 0.020 1 1429 122 122 THR HA H 3.725 0.020 1 1430 122 122 THR HB H 4.176 0.020 1 1431 122 122 THR HG2 H 0.909 0.020 1 1432 122 122 THR C C 174.930 0.3 1 1433 122 122 THR CA C 66.415 0.3 1 1434 122 122 THR CB C 68.019 0.3 1 1435 122 122 THR CG2 C 22.136 0.3 1 1436 122 122 THR N N 119.254 0.3 1 1437 123 123 PHE H H 8.423 0.020 1 1438 123 123 PHE HA H 3.803 0.020 1 1439 123 123 PHE HB2 H 3.193 0.020 2 1440 123 123 PHE HB3 H 2.822 0.020 2 1441 123 123 PHE HD1 H 7.080 0.020 1 1442 123 123 PHE HD2 H 7.080 0.020 1 1443 123 123 PHE HE1 H 6.939 0.020 1 1444 123 123 PHE HE2 H 6.939 0.020 1 1445 123 123 PHE HZ H 6.916 0.020 1 1446 123 123 PHE C C 175.898 0.3 1 1447 123 123 PHE CA C 62.582 0.3 1 1448 123 123 PHE CB C 39.269 0.3 1 1449 123 123 PHE CD1 C 132.171 0.3 1 1450 123 123 PHE CD2 C 132.171 0.3 1 1451 123 123 PHE CE1 C 130.279 0.3 1 1452 123 123 PHE CE2 C 130.279 0.3 1 1453 123 123 PHE CZ C 128.774 0.3 1 1454 123 123 PHE N N 121.506 0.3 1 1455 124 124 ASP H H 8.376 0.020 1 1456 124 124 ASP HA H 4.137 0.020 1 1457 124 124 ASP HB2 H 2.718 0.020 2 1458 124 124 ASP HB3 H 2.481 0.020 2 1459 124 124 ASP C C 179.007 0.3 1 1460 124 124 ASP CA C 57.060 0.3 1 1461 124 124 ASP CB C 39.911 0.3 1 1462 124 124 ASP N N 117.172 0.3 1 1463 125 125 GLN H H 7.749 0.020 1 1464 125 125 GLN HA H 3.968 0.020 1 1465 125 125 GLN HB2 H 2.079 0.020 2 1466 125 125 GLN HB3 H 2.059 0.020 2 1467 125 125 GLN HE21 H 6.711 0.020 2 1468 125 125 GLN HE22 H 7.385 0.020 2 1469 125 125 GLN HG2 H 2.447 0.020 2 1470 125 125 GLN HG3 H 2.338 0.020 2 1471 125 125 GLN C C 178.937 0.3 1 1472 125 125 GLN CA C 58.121 0.3 1 1473 125 125 GLN CB C 28.705 0.3 1 1474 125 125 GLN CD C 180.533 0.3 1 1475 125 125 GLN CG C 33.900 0.3 1 1476 125 125 GLN N N 117.969 0.3 1 1477 125 125 GLN NE2 N 111.674 0.3 1 1478 126 126 ASP H H 8.763 0.020 1 1479 126 126 ASP HA H 4.348 0.020 1 1480 126 126 ASP HB2 H 2.752 0.020 2 1481 126 126 ASP HB3 H 2.222 0.020 2 1482 126 126 ASP C C 181.272 0.3 1 1483 126 126 ASP CA C 57.752 0.3 1 1484 126 126 ASP CB C 40.580 0.3 1 1485 126 126 ASP N N 121.023 0.3 1 1486 127 127 ILE H H 8.500 0.020 1 1487 127 127 ILE HA H 3.825 0.020 1 1488 127 127 ILE HB H 1.707 0.020 1 1489 127 127 ILE HD1 H 0.548 0.020 1 1490 127 127 ILE HG12 H 1.148 0.020 2 1491 127 127 ILE HG13 H 0.984 0.020 2 1492 127 127 ILE HG2 H 0.196 0.020 1 1493 127 127 ILE C C 173.962 0.3 1 1494 127 127 ILE CA C 64.590 0.3 1 1495 127 127 ILE CB C 36.825 0.3 1 1496 127 127 ILE CD1 C 14.282 0.3 1 1497 127 127 ILE CG1 C 25.515 0.3 1 1498 127 127 ILE CG2 C 18.522 0.3 1 1499 127 127 ILE N N 115.943 0.3 1 1500 128 128 ALA H H 6.551 0.020 1 1501 128 128 ALA HA H 4.440 0.020 1 1502 128 128 ALA HB H 1.345 0.020 1 1503 128 128 ALA C C 176.971 0.3 1 1504 128 128 ALA CA C 50.677 0.3 1 1505 128 128 ALA CB C 19.078 0.3 1 1506 128 128 ALA N N 119.362 0.3 1 1507 129 129 SER H H 7.777 0.020 1 1508 129 129 SER HA H 4.463 0.020 1 1509 129 129 SER HB2 H 4.180 0.020 2 1510 129 129 SER HB3 H 4.062 0.020 2 1511 129 129 SER C C 173.537 0.3 1 1512 129 129 SER CA C 57.211 0.3 1 1513 129 129 SER CB C 65.396 0.3 1 1514 129 129 SER N N 117.545 0.3 1 1515 130 130 MET H H 9.063 0.020 1 1516 130 130 MET HA H 4.366 0.020 1 1517 130 130 MET HB2 H 2.147 0.020 2 1518 130 130 MET HB3 H 2.077 0.020 2 1519 130 130 MET HE H 2.039 0.020 1 1520 130 130 MET HG2 H 2.699 0.020 2 1521 130 130 MET HG3 H 2.592 0.020 2 1522 130 130 MET C C 175.612 0.3 1 1523 130 130 MET CA C 58.889 0.3 1 1524 130 130 MET CB C 29.424 0.3 1 1525 130 130 MET CE C 16.682 0.3 1 1526 130 130 MET CG C 32.019 0.3 1 1527 130 130 MET N N 123.634 0.3 1 1528 131 131 PRO HA H 4.282 0.020 1 1529 131 131 PRO HB2 H 2.319 0.020 2 1530 131 131 PRO HB3 H 1.669 0.020 2 1531 131 131 PRO HD2 H 3.803 0.020 2 1532 131 131 PRO HD3 H 3.530 0.020 2 1533 131 131 PRO HG2 H 2.047 0.020 2 1534 131 131 PRO HG3 H 1.898 0.020 2 1535 131 131 PRO C C 180.058 0.3 1 1536 131 131 PRO CA C 65.826 0.3 1 1537 131 131 PRO CB C 31.449 0.3 1 1538 131 131 PRO CD C 50.327 0.3 1 1539 131 131 PRO CG C 28.369 0.3 1 1540 132 132 ILE H H 6.728 0.020 1 1541 132 132 ILE HA H 3.843 0.020 1 1542 132 132 ILE HB H 2.219 0.020 1 1543 132 132 ILE HD1 H 0.536 0.020 1 1544 132 132 ILE HG12 H 1.269 0.020 2 1545 132 132 ILE HG13 H 1.144 0.020 2 1546 132 132 ILE HG2 H 0.693 0.020 1 1547 132 132 ILE C C 176.770 0.3 1 1548 132 132 ILE CA C 61.936 0.3 1 1549 132 132 ILE CB C 34.980 0.3 1 1550 132 132 ILE CD1 C 9.570 0.3 1 1551 132 132 ILE CG1 C 27.374 0.3 1 1552 132 132 ILE CG2 C 17.371 0.3 1 1553 132 132 ILE N N 118.006 0.3 1 1554 133 133 ILE H H 7.931 0.020 1 1555 133 133 ILE HA H 3.521 0.020 1 1556 133 133 ILE HB H 1.711 0.020 1 1557 133 133 ILE HD1 H 0.674 0.020 1 1558 133 133 ILE HG12 H 1.678 0.020 2 1559 133 133 ILE HG13 H 0.924 0.020 2 1560 133 133 ILE HG2 H 0.835 0.020 1 1561 133 133 ILE C C 180.239 0.3 1 1562 133 133 ILE CA C 65.574 0.3 1 1563 133 133 ILE CB C 38.627 0.3 1 1564 133 133 ILE CD1 C 13.714 0.3 1 1565 133 133 ILE CG1 C 29.456 0.3 1 1566 133 133 ILE CG2 C 16.454 0.3 1 1567 133 133 ILE N N 121.465 0.3 1 1568 134 134 ALA H H 8.921 0.020 1 1569 134 134 ALA HA H 4.134 0.020 1 1570 134 134 ALA HB H 1.377 0.020 1 1571 134 134 ALA C C 180.570 0.3 1 1572 134 134 ALA CA C 54.517 0.3 1 1573 134 134 ALA CB C 17.943 0.3 1 1574 134 134 ALA N N 120.853 0.3 1 1575 135 135 ALA H H 7.658 0.020 1 1576 135 135 ALA HA H 4.246 0.020 1 1577 135 135 ALA HB H 1.596 0.020 1 1578 135 135 ALA C C 180.304 0.3 1 1579 135 135 ALA CA C 54.503 0.3 1 1580 135 135 ALA CB C 18.892 0.3 1 1581 135 135 ALA N N 122.009 0.3 1 1582 136 136 GLU H H 8.343 0.020 1 1583 136 136 GLU HA H 3.912 0.020 1 1584 136 136 GLU HB2 H 2.357 0.020 2 1585 136 136 GLU HB3 H 1.650 0.020 2 1586 136 136 GLU HG2 H 2.423 0.020 2 1587 136 136 GLU HG3 H 2.404 0.020 2 1588 136 136 GLU C C 178.296 0.3 1 1589 136 136 GLU CA C 61.307 0.3 1 1590 136 136 GLU CB C 28.194 0.3 1 1591 136 136 GLU CG C 37.098 0.3 1 1592 136 136 GLU N N 123.514 0.3 1 1593 137 137 GLN H H 8.088 0.020 1 1594 137 137 GLN HA H 3.725 0.020 1 1595 137 137 GLN HB2 H 2.207 0.020 2 1596 137 137 GLN HB3 H 2.034 0.020 2 1597 137 137 GLN HE21 H 6.692 0.020 2 1598 137 137 GLN HE22 H 7.687 0.020 2 1599 137 137 GLN HG2 H 2.343 0.020 1 1600 137 137 GLN HG3 H 2.343 0.020 1 1601 137 137 GLN C C 178.265 0.3 1 1602 137 137 GLN CA C 58.247 0.3 1 1603 137 137 GLN CB C 27.875 0.3 1 1604 137 137 GLN CD C 179.864 0.3 1 1605 137 137 GLN CG C 33.472 0.3 1 1606 137 137 GLN N N 119.459 0.3 1 1607 137 137 GLN NE2 N 115.031 0.3 1 1608 138 138 ALA H H 8.186 0.020 1 1609 138 138 ALA HA H 4.219 0.020 1 1610 138 138 ALA HB H 1.489 0.020 1 1611 138 138 ALA C C 180.512 0.3 1 1612 138 138 ALA CA C 54.789 0.3 1 1613 138 138 ALA CB C 17.655 0.3 1 1614 138 138 ALA N N 120.861 0.3 1 1615 139 139 MET H H 7.531 0.020 1 1616 139 139 MET HA H 4.395 0.020 1 1617 139 139 MET HB2 H 2.548 0.020 2 1618 139 139 MET HB3 H 2.180 0.020 2 1619 139 139 MET HE H 2.395 0.020 1 1620 139 139 MET HG2 H 3.022 0.020 2 1621 139 139 MET HG3 H 2.536 0.020 2 1622 139 139 MET C C 179.495 0.3 1 1623 139 139 MET CA C 59.660 0.3 1 1624 139 139 MET CB C 31.674 0.3 1 1625 139 139 MET CE C 17.439 0.3 1 1626 139 139 MET CG C 33.489 0.3 1 1627 139 139 MET N N 118.783 0.3 1 1628 140 140 GLN H H 7.703 0.020 1 1629 140 140 GLN HA H 3.753 0.020 1 1630 140 140 GLN HB2 H 2.065 0.020 1 1631 140 140 GLN HB3 H 2.065 0.020 1 1632 140 140 GLN HE21 H 6.551 0.020 2 1633 140 140 GLN HE22 H 9.139 0.020 2 1634 140 140 GLN HG2 H 2.477 0.020 2 1635 140 140 GLN HG3 H 1.862 0.020 2 1636 140 140 GLN C C 177.991 0.3 1 1637 140 140 GLN CA C 60.001 0.3 1 1638 140 140 GLN CB C 28.898 0.3 1 1639 140 140 GLN CD C 180.444 0.3 1 1640 140 140 GLN CG C 34.797 0.3 1 1641 140 140 GLN N N 120.442 0.3 1 1642 140 140 GLN NE2 N 118.274 0.3 1 1643 141 141 ASP H H 9.016 0.020 1 1644 141 141 ASP HA H 4.314 0.020 1 1645 141 141 ASP HB2 H 2.736 0.020 2 1646 141 141 ASP HB3 H 2.610 0.020 2 1647 141 141 ASP C C 179.575 0.3 1 1648 141 141 ASP CA C 57.283 0.3 1 1649 141 141 ASP CB C 40.030 0.3 1 1650 141 141 ASP N N 120.906 0.3 1 1651 142 142 LYS H H 8.282 0.020 1 1652 142 142 LYS HA H 3.986 0.020 1 1653 142 142 LYS HB2 H 2.273 0.020 2 1654 142 142 LYS HB3 H 1.998 0.020 2 1655 142 142 LYS HD2 H 1.752 0.020 1 1656 142 142 LYS HD3 H 1.752 0.020 1 1657 142 142 LYS HE2 H 3.030 0.020 2 1658 142 142 LYS HE3 H 2.925 0.020 2 1659 142 142 LYS HG2 H 1.639 0.020 1 1660 142 142 LYS HG3 H 1.639 0.020 1 1661 142 142 LYS C C 178.142 0.3 1 1662 142 142 LYS CA C 60.488 0.3 1 1663 142 142 LYS CB C 32.268 0.3 1 1664 142 142 LYS CD C 29.629 0.3 1 1665 142 142 LYS CE C 42.291 0.3 1 1666 142 142 LYS CG C 26.958 0.3 1 1667 142 142 LYS N N 121.936 0.3 1 1668 143 143 GLN H H 7.796 0.020 1 1669 143 143 GLN HA H 3.686 0.020 1 1670 143 143 GLN HB2 H 2.366 0.020 2 1671 143 143 GLN HB3 H 2.174 0.020 2 1672 143 143 GLN HE21 H 7.663 0.020 2 1673 143 143 GLN HE22 H 7.405 0.020 2 1674 143 143 GLN HG2 H 2.154 0.020 2 1675 143 143 GLN HG3 H 1.744 0.020 2 1676 143 143 GLN C C 177.786 0.3 1 1677 143 143 GLN CA C 58.567 0.3 1 1678 143 143 GLN CB C 29.567 0.3 1 1679 143 143 GLN CD C 179.975 0.3 1 1680 143 143 GLN CG C 33.624 0.3 1 1681 143 143 GLN N N 118.973 0.3 1 1682 143 143 GLN NE2 N 112.316 0.3 1 1683 144 144 ASN H H 8.684 0.020 1 1684 144 144 ASN HA H 4.488 0.020 1 1685 144 144 ASN HB2 H 2.843 0.020 2 1686 144 144 ASN HB3 H 2.753 0.020 2 1687 144 144 ASN HD21 H 7.374 0.020 2 1688 144 144 ASN HD22 H 7.656 0.020 2 1689 144 144 ASN C C 177.423 0.3 1 1690 144 144 ASN CA C 55.756 0.3 1 1691 144 144 ASN CB C 37.614 0.3 1 1692 144 144 ASN CG C 176.139 0.3 1 1693 144 144 ASN N N 117.887 0.3 1 1694 144 144 ASN ND2 N 114.420 0.3 1 1695 145 145 LYS H H 8.194 0.020 1 1696 145 145 LYS HA H 3.896 0.020 1 1697 145 145 LYS HB2 H 1.766 0.020 2 1698 145 145 LYS HB3 H 1.720 0.020 2 1699 145 145 LYS HD2 H 1.406 0.020 1 1700 145 145 LYS HD3 H 1.406 0.020 1 1701 145 145 LYS HE2 H 2.629 0.020 1 1702 145 145 LYS HE3 H 2.629 0.020 1 1703 145 145 LYS HG2 H 1.143 0.020 2 1704 145 145 LYS HG3 H 0.755 0.020 2 1705 145 145 LYS C C 178.867 0.3 1 1706 145 145 LYS CA C 59.205 0.3 1 1707 145 145 LYS CB C 31.969 0.3 1 1708 145 145 LYS CD C 29.259 0.3 1 1709 145 145 LYS CE C 41.431 0.3 1 1710 145 145 LYS CG C 23.889 0.3 1 1711 145 145 LYS N N 123.119 0.3 1 1712 146 146 TYR H H 7.976 0.020 1 1713 146 146 TYR HA H 3.946 0.020 1 1714 146 146 TYR HB2 H 2.451 0.020 2 1715 146 146 TYR HB3 H 2.386 0.020 2 1716 146 146 TYR HD1 H 6.877 0.020 1 1717 146 146 TYR HD2 H 6.877 0.020 1 1718 146 146 TYR HE1 H 6.626 0.020 1 1719 146 146 TYR HE2 H 6.626 0.020 1 1720 146 146 TYR C C 179.104 0.3 1 1721 146 146 TYR CA C 62.660 0.3 1 1722 146 146 TYR CB C 38.400 0.3 1 1723 146 146 TYR CD1 C 131.787 0.3 1 1724 146 146 TYR CD2 C 131.787 0.3 1 1725 146 146 TYR CE1 C 117.301 0.3 1 1726 146 146 TYR CE2 C 117.301 0.3 1 1727 146 146 TYR N N 114.825 0.3 1 1728 147 147 SER H H 8.708 0.020 1 1729 147 147 SER HA H 4.411 0.020 1 1730 147 147 SER HB2 H 3.978 0.020 2 1731 147 147 SER HB3 H 3.924 0.020 2 1732 147 147 SER C C 178.474 0.3 1 1733 147 147 SER CA C 61.472 0.3 1 1734 147 147 SER CB C 62.470 0.3 1 1735 147 147 SER N N 119.330 0.3 1 1736 148 148 LYS H H 8.067 0.020 1 1737 148 148 LYS HA H 3.982 0.020 1 1738 148 148 LYS HB2 H 1.850 0.020 1 1739 148 148 LYS HB3 H 1.850 0.020 1 1740 148 148 LYS HD2 H 1.637 0.020 2 1741 148 148 LYS HD3 H 1.568 0.020 2 1742 148 148 LYS HE2 H 2.851 0.020 2 1743 148 148 LYS HE3 H 2.782 0.020 2 1744 148 148 LYS HG2 H 1.487 0.020 2 1745 148 148 LYS HG3 H 1.386 0.020 2 1746 148 148 LYS C C 178.587 0.3 1 1747 148 148 LYS CA C 59.090 0.3 1 1748 148 148 LYS CB C 31.682 0.3 1 1749 148 148 LYS CD C 28.845 0.3 1 1750 148 148 LYS CE C 41.991 0.3 1 1751 148 148 LYS CG C 25.038 0.3 1 1752 148 148 LYS N N 124.005 0.3 1 1753 149 149 LEU H H 7.231 0.020 1 1754 149 149 LEU HA H 4.179 0.020 1 1755 149 149 LEU HB2 H 1.578 0.020 2 1756 149 149 LEU HB3 H 1.535 0.020 2 1757 149 149 LEU HD1 H 0.417 0.020 2 1758 149 149 LEU HD2 H 0.778 0.020 2 1759 149 149 LEU HG H 1.637 0.020 1 1760 149 149 LEU C C 177.419 0.3 1 1761 149 149 LEU CA C 55.416 0.3 1 1762 149 149 LEU CB C 43.164 0.3 1 1763 149 149 LEU CD1 C 25.482 0.3 2 1764 149 149 LEU CD2 C 22.374 0.3 2 1765 149 149 LEU CG C 26.608 0.3 1 1766 149 149 LEU N N 115.842 0.3 1 1767 150 150 GLY H H 7.649 0.020 1 1768 150 150 GLY HA2 H 3.645 0.020 2 1769 150 150 GLY HA3 H 4.080 0.020 2 1770 150 150 GLY C C 173.350 0.3 1 1771 150 150 GLY CA C 44.890 0.3 1 1772 150 150 GLY N N 106.985 0.3 1 1773 151 151 ALA H H 7.433 0.020 1 1774 151 151 ALA HA H 4.317 0.020 1 1775 151 151 ALA HB H 1.345 0.020 1 1776 151 151 ALA C C 175.348 0.3 1 1777 151 151 ALA CA C 52.168 0.3 1 1778 151 151 ALA CB C 20.787 0.3 1 1779 151 151 ALA N N 119.237 0.3 1 1780 152 152 LEU H H 6.994 0.020 1 1781 152 152 LEU HA H 4.663 0.020 1 1782 152 152 LEU HB2 H 1.469 0.020 2 1783 152 152 LEU HB3 H 0.524 0.020 2 1784 152 152 LEU HD1 H 0.645 0.020 2 1785 152 152 LEU HD2 H 0.519 0.020 2 1786 152 152 LEU HG H 1.307 0.020 1 1787 152 152 LEU C C 174.098 0.3 1 1788 152 152 LEU CA C 52.300 0.3 1 1789 152 152 LEU CB C 43.506 0.3 1 1790 152 152 LEU CD1 C 23.820 0.3 2 1791 152 152 LEU CD2 C 26.642 0.3 2 1792 152 152 LEU CG C 26.833 0.3 1 1793 152 152 LEU N N 119.197 0.3 1 1794 153 153 THR HA H 4.125 0.020 1 1795 153 153 THR HB H 4.245 0.020 1 1796 153 153 THR HG2 H 0.901 0.020 1 1797 153 153 THR CA C 60.817 0.3 1 1798 153 153 THR CB C 68.835 0.3 1 1799 153 153 THR CG2 C 21.223 0.3 1 1800 154 154 GLY H H 7.557 0.020 1 1801 154 154 GLY HA2 H 4.041 0.020 2 1802 154 154 GLY HA3 H 3.936 0.020 2 1803 154 154 GLY C C 170.927 0.3 1 1804 154 154 GLY CA C 44.118 0.3 1 1805 154 154 GLY N N 109.006 0.3 1 1806 155 155 VAL H H 8.446 0.020 1 1807 155 155 VAL HA H 4.474 0.020 1 1808 155 155 VAL HB H 2.015 0.020 1 1809 155 155 VAL HG1 H 0.608 0.020 2 1810 155 155 VAL HG2 H 0.963 0.020 2 1811 155 155 VAL C C 171.382 0.3 1 1812 155 155 VAL CA C 57.461 0.3 1 1813 155 155 VAL CB C 34.706 0.3 1 1814 155 155 VAL CG1 C 23.595 0.3 2 1815 155 155 VAL CG2 C 17.727 0.3 2 1816 155 155 VAL N N 110.966 0.3 1 1817 156 156 PRO HA H 4.999 0.020 1 1818 156 156 PRO HB2 H 2.549 0.020 2 1819 156 156 PRO HB3 H 1.509 0.020 2 1820 156 156 PRO HD2 H 3.540 0.020 2 1821 156 156 PRO HD3 H 3.286 0.020 2 1822 156 156 PRO HG2 H 1.425 0.020 2 1823 156 156 PRO HG3 H 1.377 0.020 2 1824 156 156 PRO C C 176.725 0.3 1 1825 156 156 PRO CA C 61.967 0.3 1 1826 156 156 PRO CB C 34.374 0.3 1 1827 156 156 PRO CD C 49.705 0.3 1 1828 156 156 PRO CG C 24.109 0.3 1 1829 157 157 THR H H 8.349 0.020 1 1830 157 157 THR HA H 4.715 0.020 1 1831 157 157 THR HB H 3.799 0.020 1 1832 157 157 THR HG2 H 1.161 0.020 1 1833 157 157 THR C C 172.113 0.3 1 1834 157 157 THR CA C 62.159 0.3 1 1835 157 157 THR CB C 72.949 0.3 1 1836 157 157 THR CG2 C 20.976 0.3 1 1837 157 157 THR N N 117.072 0.3 1 1838 158 158 PHE H H 10.344 0.020 1 1839 158 158 PHE HA H 5.396 0.020 1 1840 158 158 PHE HB2 H 2.853 0.020 2 1841 158 158 PHE HB3 H 2.432 0.020 2 1842 158 158 PHE HD1 H 7.008 0.020 1 1843 158 158 PHE HD2 H 7.008 0.020 1 1844 158 158 PHE HE1 H 7.021 0.020 1 1845 158 158 PHE HE2 H 7.021 0.020 1 1846 158 158 PHE C C 173.923 0.3 1 1847 158 158 PHE CA C 56.591 0.3 1 1848 158 158 PHE CB C 42.073 0.3 1 1849 158 158 PHE CD1 C 131.187 0.3 1 1850 158 158 PHE CD2 C 131.187 0.3 1 1851 158 158 PHE CE1 C 128.375 0.3 1 1852 158 158 PHE CE2 C 128.375 0.3 1 1853 158 158 PHE N N 128.146 0.3 1 1854 159 159 ILE H H 8.884 0.020 1 1855 159 159 ILE HA H 4.957 0.020 1 1856 159 159 ILE HB H 1.516 0.020 1 1857 159 159 ILE HD1 H 0.025 0.020 1 1858 159 159 ILE HG12 H 0.565 0.020 1 1859 159 159 ILE HG13 H 0.565 0.020 1 1860 159 159 ILE HG2 H 0.436 0.020 1 1861 159 159 ILE C C 176.013 0.3 1 1862 159 159 ILE CA C 59.452 0.3 1 1863 159 159 ILE CB C 40.764 0.3 1 1864 159 159 ILE CD1 C 11.626 0.3 1 1865 159 159 ILE CG1 C 28.062 0.3 1 1866 159 159 ILE CG2 C 17.528 0.3 1 1867 159 159 ILE N N 121.508 0.3 1 1868 160 160 VAL H H 10.164 0.020 1 1869 160 160 VAL HA H 4.466 0.020 1 1870 160 160 VAL HB H 2.132 0.020 1 1871 160 160 VAL HG1 H 0.959 0.020 2 1872 160 160 VAL HG2 H 0.867 0.020 2 1873 160 160 VAL C C 174.467 0.3 1 1874 160 160 VAL CA C 62.107 0.3 1 1875 160 160 VAL CB C 33.095 0.3 1 1876 160 160 VAL CG1 C 22.094 0.3 2 1877 160 160 VAL CG2 C 20.810 0.3 2 1878 160 160 VAL N N 132.659 0.3 1 1879 161 161 ASN H H 9.845 0.020 1 1880 161 161 ASN HA H 4.791 0.020 1 1881 161 161 ASN HB2 H 3.330 0.020 2 1882 161 161 ASN HB3 H 2.841 0.020 2 1883 161 161 ASN HD21 H 6.265 0.020 2 1884 161 161 ASN HD22 H 8.803 0.020 2 1885 161 161 ASN C C 176.004 0.3 1 1886 161 161 ASN CA C 54.249 0.3 1 1887 161 161 ASN CB C 36.026 0.3 1 1888 161 161 ASN CG C 174.354 0.3 1 1889 161 161 ASN N N 126.868 0.3 1 1890 161 161 ASN ND2 N 109.817 0.3 1 1891 162 162 ASP H H 9.076 0.020 1 1892 162 162 ASP HA H 4.220 0.020 1 1893 162 162 ASP HB2 H 3.361 0.020 2 1894 162 162 ASP HB3 H 2.590 0.020 2 1895 162 162 ASP C C 176.261 0.3 1 1896 162 162 ASP CA C 57.305 0.3 1 1897 162 162 ASP CB C 40.074 0.3 1 1898 162 162 ASP N N 112.133 0.3 1 1899 163 163 LYS H H 7.312 0.020 1 1900 163 163 LYS HA H 4.433 0.020 1 1901 163 163 LYS HB2 H 1.438 0.020 2 1902 163 163 LYS HB3 H 0.959 0.020 2 1903 163 163 LYS HD2 H 1.537 0.020 2 1904 163 163 LYS HD3 H 1.443 0.020 2 1905 163 163 LYS HE2 H 2.985 0.020 2 1906 163 163 LYS HE3 H 2.845 0.020 2 1907 163 163 LYS HG2 H 1.061 0.020 2 1908 163 163 LYS HG3 H 0.678 0.020 2 1909 163 163 LYS C C 172.707 0.3 1 1910 163 163 LYS CA C 56.717 0.3 1 1911 163 163 LYS CB C 36.421 0.3 1 1912 163 163 LYS CD C 29.230 0.3 1 1913 163 163 LYS CE C 42.156 0.3 1 1914 163 163 LYS CG C 24.532 0.3 1 1915 163 163 LYS N N 120.498 0.3 1 1916 164 164 TYR H H 7.850 0.020 1 1917 164 164 TYR HA H 5.568 0.020 1 1918 164 164 TYR HB2 H 2.849 0.020 2 1919 164 164 TYR HB3 H 2.757 0.020 2 1920 164 164 TYR HD1 H 6.976 0.020 1 1921 164 164 TYR HD2 H 6.976 0.020 1 1922 164 164 TYR HE1 H 6.961 0.020 1 1923 164 164 TYR HE2 H 6.961 0.020 1 1924 164 164 TYR C C 174.576 0.3 1 1925 164 164 TYR CA C 55.867 0.3 1 1926 164 164 TYR CB C 41.121 0.3 1 1927 164 164 TYR CD1 C 133.064 0.3 1 1928 164 164 TYR CD2 C 133.064 0.3 1 1929 164 164 TYR CE1 C 118.432 0.3 1 1930 164 164 TYR CE2 C 118.432 0.3 1 1931 164 164 TYR N N 117.085 0.3 1 1932 165 165 LYS H H 9.084 0.020 1 1933 165 165 LYS HA H 4.729 0.020 1 1934 165 165 LYS HB2 H 1.904 0.020 2 1935 165 165 LYS HB3 H 1.386 0.020 2 1936 165 165 LYS HD2 H 1.670 0.020 2 1937 165 165 LYS HD3 H 1.482 0.020 2 1938 165 165 LYS HE2 H 2.989 0.020 2 1939 165 165 LYS HE3 H 2.936 0.020 2 1940 165 165 LYS HG2 H 1.315 0.020 2 1941 165 165 LYS HG3 H 1.192 0.020 2 1942 165 165 LYS C C 175.622 0.3 1 1943 165 165 LYS CA C 55.183 0.3 1 1944 165 165 LYS CB C 34.479 0.3 1 1945 165 165 LYS CD C 29.996 0.3 1 1946 165 165 LYS CE C 42.039 0.3 1 1947 165 165 LYS CG C 24.628 0.3 1 1948 165 165 LYS N N 127.542 0.3 1 1949 166 166 ILE H H 8.142 0.020 1 1950 166 166 ILE HA H 3.951 0.020 1 1951 166 166 ILE HB H 1.695 0.020 1 1952 166 166 ILE HD1 H 0.531 0.020 1 1953 166 166 ILE HG12 H 1.561 0.020 2 1954 166 166 ILE HG13 H 0.731 0.020 2 1955 166 166 ILE HG2 H 0.615 0.020 1 1956 166 166 ILE C C 174.727 0.3 1 1957 166 166 ILE CA C 62.454 0.3 1 1958 166 166 ILE CB C 39.416 0.3 1 1959 166 166 ILE CD1 C 13.210 0.3 1 1960 166 166 ILE CG1 C 27.811 0.3 1 1961 166 166 ILE CG2 C 15.969 0.3 1 1962 166 166 ILE N N 126.494 0.3 1 1963 167 167 ASN H H 8.528 0.020 1 1964 167 167 ASN HA H 5.091 0.020 1 1965 167 167 ASN HB2 H 2.814 0.020 2 1966 167 167 ASN HB3 H 2.738 0.020 2 1967 167 167 ASN HD21 H 6.616 0.020 2 1968 167 167 ASN HD22 H 7.002 0.020 2 1969 167 167 ASN C C 175.085 0.3 1 1970 167 167 ASN CA C 51.459 0.3 1 1971 167 167 ASN CB C 36.859 0.3 1 1972 167 167 ASN CG C 176.451 0.3 1 1973 167 167 ASN N N 126.784 0.3 1 1974 167 167 ASN ND2 N 111.342 0.3 1 1975 168 168 LEU H H 8.366 0.020 1 1976 168 168 LEU HA H 3.711 0.020 1 1977 168 168 LEU HB2 H 1.659 0.020 2 1978 168 168 LEU HB3 H 1.523 0.020 2 1979 168 168 LEU HD1 H 0.608 0.020 2 1980 168 168 LEU HD2 H 0.583 0.020 2 1981 168 168 LEU HG H 1.699 0.020 1 1982 168 168 LEU C C 177.602 0.3 1 1983 168 168 LEU CA C 57.783 0.3 1 1984 168 168 LEU CB C 42.115 0.3 1 1985 168 168 LEU CD1 C 24.342 0.3 2 1986 168 168 LEU CD2 C 22.278 0.3 2 1987 168 168 LEU CG C 26.428 0.3 1 1988 168 168 LEU N N 126.135 0.3 1 1989 169 169 ASN H H 8.605 0.020 1 1990 169 169 ASN HA H 4.484 0.020 1 1991 169 169 ASN HB2 H 2.806 0.020 2 1992 169 169 ASN HB3 H 2.733 0.020 2 1993 169 169 ASN HD21 H 6.918 0.020 2 1994 169 169 ASN HD22 H 7.572 0.020 2 1995 169 169 ASN C C 175.745 0.3 1 1996 169 169 ASN CA C 55.026 0.3 1 1997 169 169 ASN CB C 37.032 0.3 1 1998 169 169 ASN CG C 176.897 0.3 1 1999 169 169 ASN N N 113.846 0.3 1 2000 169 169 ASN ND2 N 113.935 0.3 1 2001 170 170 THR H H 7.488 0.020 1 2002 170 170 THR HA H 4.315 0.020 1 2003 170 170 THR HB H 4.320 0.020 1 2004 170 170 THR HG2 H 1.118 0.020 1 2005 170 170 THR C C 174.193 0.3 1 2006 170 170 THR CA C 62.221 0.3 1 2007 170 170 THR CB C 70.055 0.3 1 2008 170 170 THR CG2 C 21.609 0.3 1 2009 170 170 THR N N 108.220 0.3 1 2010 171 171 ILE H H 7.091 0.020 1 2011 171 171 ILE HA H 4.285 0.020 1 2012 171 171 ILE HB H 2.027 0.020 1 2013 171 171 ILE HD1 H 0.641 0.020 1 2014 171 171 ILE HG12 H 1.583 0.020 2 2015 171 171 ILE HG13 H 1.139 0.020 2 2016 171 171 ILE HG2 H 0.893 0.020 1 2017 171 171 ILE C C 177.124 0.3 1 2018 171 171 ILE CA C 58.399 0.3 1 2019 171 171 ILE CB C 37.062 0.3 1 2020 171 171 ILE CD1 C 10.567 0.3 1 2021 171 171 ILE CG1 C 26.351 0.3 1 2022 171 171 ILE CG2 C 19.322 0.3 1 2023 171 171 ILE N N 122.168 0.3 1 2024 172 172 LYS H H 9.109 0.020 1 2025 172 172 LYS HA H 4.364 0.020 1 2026 172 172 LYS HB2 H 1.871 0.020 2 2027 172 172 LYS HB3 H 1.784 0.020 2 2028 172 172 LYS HD2 H 1.605 0.020 1 2029 172 172 LYS HD3 H 1.605 0.020 1 2030 172 172 LYS HE2 H 2.941 0.020 2 2031 172 172 LYS HE3 H 2.851 0.020 2 2032 172 172 LYS HG2 H 1.473 0.020 2 2033 172 172 LYS HG3 H 1.386 0.020 2 2034 172 172 LYS C C 176.125 0.3 1 2035 172 172 LYS CA C 56.648 0.3 1 2036 172 172 LYS CB C 33.322 0.3 1 2037 172 172 LYS CD C 28.296 0.3 1 2038 172 172 LYS CE C 41.807 0.3 1 2039 172 172 LYS CG C 24.511 0.3 1 2040 172 172 LYS N N 124.917 0.3 1 2041 173 173 SER H H 7.358 0.020 1 2042 173 173 SER HA H 4.629 0.020 1 2043 173 173 SER HB2 H 4.139 0.020 2 2044 173 173 SER HB3 H 3.923 0.020 2 2045 173 173 SER C C 173.641 0.3 1 2046 173 173 SER CA C 56.861 0.3 1 2047 173 173 SER CB C 66.036 0.3 1 2048 173 173 SER N N 111.333 0.3 1 2049 174 174 GLN H H 8.794 0.020 1 2050 174 174 GLN HA H 3.643 0.020 1 2051 174 174 GLN HB2 H 2.096 0.020 2 2052 174 174 GLN HB3 H 1.740 0.020 2 2053 174 174 GLN HE21 H 8.244 0.020 2 2054 174 174 GLN HE22 H 5.147 0.020 2 2055 174 174 GLN HG2 H 2.268 0.020 2 2056 174 174 GLN HG3 H 2.103 0.020 2 2057 174 174 GLN C C 176.696 0.3 1 2058 174 174 GLN CA C 57.753 0.3 1 2059 174 174 GLN CB C 27.723 0.3 1 2060 174 174 GLN CD C 179.329 0.3 1 2061 174 174 GLN CG C 32.352 0.3 1 2062 174 174 GLN N N 119.432 0.3 1 2063 174 174 GLN NE2 N 113.778 0.3 1 2064 175 175 GLU H H 8.684 0.020 1 2065 175 175 GLU HA H 4.057 0.020 1 2066 175 175 GLU HB2 H 1.970 0.020 2 2067 175 175 GLU HB3 H 1.851 0.020 2 2068 175 175 GLU HG2 H 2.318 0.020 2 2069 175 175 GLU HG3 H 2.215 0.020 2 2070 175 175 GLU C C 179.288 0.3 1 2071 175 175 GLU CA C 60.054 0.3 1 2072 175 175 GLU CB C 28.507 0.3 1 2073 175 175 GLU CG C 36.689 0.3 1 2074 175 175 GLU N N 118.214 0.3 1 2075 176 176 GLU H H 7.770 0.020 1 2076 176 176 GLU HA H 4.127 0.020 1 2077 176 176 GLU HB2 H 2.140 0.020 2 2078 176 176 GLU HB3 H 2.003 0.020 2 2079 176 176 GLU HG2 H 2.377 0.020 2 2080 176 176 GLU HG3 H 2.289 0.020 2 2081 176 176 GLU C C 177.639 0.3 1 2082 176 176 GLU CA C 58.922 0.3 1 2083 176 176 GLU CB C 30.240 0.3 1 2084 176 176 GLU CG C 37.199 0.3 1 2085 176 176 GLU N N 121.145 0.3 1 2086 177 177 LEU H H 7.682 0.020 1 2087 177 177 LEU HA H 3.816 0.020 1 2088 177 177 LEU HB2 H 1.987 0.020 2 2089 177 177 LEU HB3 H 1.334 0.020 2 2090 177 177 LEU HD1 H 0.638 0.020 2 2091 177 177 LEU HD2 H 0.553 0.020 2 2092 177 177 LEU HG H 1.258 0.020 1 2093 177 177 LEU C C 177.671 0.3 1 2094 177 177 LEU CA C 57.657 0.3 1 2095 177 177 LEU CB C 40.712 0.3 1 2096 177 177 LEU CD1 C 22.943 0.3 2 2097 177 177 LEU CD2 C 26.317 0.3 2 2098 177 177 LEU CG C 26.652 0.3 1 2099 177 177 LEU N N 121.228 0.3 1 2100 178 178 ASP H H 8.797 0.020 1 2101 178 178 ASP HA H 4.188 0.020 1 2102 178 178 ASP HB2 H 2.583 0.020 2 2103 178 178 ASP HB3 H 2.510 0.020 2 2104 178 178 ASP C C 179.687 0.3 1 2105 178 178 ASP CA C 57.628 0.3 1 2106 178 178 ASP CB C 40.102 0.3 1 2107 178 178 ASP N N 119.395 0.3 1 2108 179 179 GLU H H 7.933 0.020 1 2109 179 179 GLU HA H 3.985 0.020 1 2110 179 179 GLU HB2 H 2.269 0.020 2 2111 179 179 GLU HB3 H 2.224 0.020 2 2112 179 179 GLU HG2 H 2.490 0.020 2 2113 179 179 GLU HG3 H 2.266 0.020 2 2114 179 179 GLU C C 179.033 0.3 1 2115 179 179 GLU CA C 59.286 0.3 1 2116 179 179 GLU CB C 29.218 0.3 1 2117 179 179 GLU CG C 36.387 0.3 1 2118 179 179 GLU N N 121.839 0.3 1 2119 180 180 LEU H H 8.503 0.020 1 2120 180 180 LEU HA H 3.317 0.020 1 2121 180 180 LEU HB2 H 1.777 0.020 2 2122 180 180 LEU HB3 H 0.615 0.020 2 2123 180 180 LEU HD1 H 0.959 0.020 2 2124 180 180 LEU HD2 H -0.136 0.020 2 2125 180 180 LEU HG H 0.613 0.020 1 2126 180 180 LEU C C 177.866 0.3 1 2127 180 180 LEU CA C 57.446 0.3 1 2128 180 180 LEU CB C 39.929 0.3 1 2129 180 180 LEU CD1 C 26.055 0.3 2 2130 180 180 LEU CD2 C 21.502 0.3 2 2131 180 180 LEU CG C 28.458 0.3 1 2132 180 180 LEU N N 123.280 0.3 1 2133 181 181 VAL H H 8.684 0.020 1 2134 181 181 VAL HA H 3.132 0.020 1 2135 181 181 VAL HB H 2.124 0.020 1 2136 181 181 VAL HG1 H 0.770 0.020 2 2137 181 181 VAL HG2 H 0.716 0.020 2 2138 181 181 VAL C C 177.037 0.3 1 2139 181 181 VAL CA C 68.001 0.3 1 2140 181 181 VAL CB C 31.140 0.3 1 2141 181 181 VAL CG1 C 23.243 0.3 2 2142 181 181 VAL CG2 C 21.847 0.3 2 2143 181 181 VAL N N 119.930 0.3 1 2144 182 182 SER H H 7.805 0.020 1 2145 182 182 SER HA H 3.902 0.020 1 2146 182 182 SER HB2 H 3.849 0.020 1 2147 182 182 SER HB3 H 3.849 0.020 1 2148 182 182 SER C C 177.290 0.3 1 2149 182 182 SER CA C 62.611 0.3 1 2150 182 182 SER CB C 62.615 0.3 1 2151 182 182 SER N N 112.691 0.3 1 2152 183 183 PHE H H 8.137 0.020 1 2153 183 183 PHE HA H 4.095 0.020 1 2154 183 183 PHE HB2 H 3.290 0.020 2 2155 183 183 PHE HB3 H 3.106 0.020 2 2156 183 183 PHE HD1 H 6.904 0.020 1 2157 183 183 PHE HD2 H 6.904 0.020 1 2158 183 183 PHE HE1 H 7.117 0.020 1 2159 183 183 PHE HE2 H 7.117 0.020 1 2160 183 183 PHE HZ H 7.344 0.020 1 2161 183 183 PHE C C 177.290 0.3 1 2162 183 183 PHE CA C 60.647 0.3 1 2163 183 183 PHE CB C 39.221 0.3 1 2164 183 183 PHE CD1 C 131.602 0.3 1 2165 183 183 PHE CD2 C 131.602 0.3 1 2166 183 183 PHE CE1 C 131.374 0.3 1 2167 183 183 PHE CE2 C 131.374 0.3 1 2168 183 183 PHE CZ C 130.108 0.3 1 2169 183 183 PHE N N 123.267 0.3 1 2170 184 184 LEU H H 8.532 0.020 1 2171 184 184 LEU HA H 3.276 0.020 1 2172 184 184 LEU HB2 H 1.664 0.020 2 2173 184 184 LEU HB3 H 0.748 0.020 2 2174 184 184 LEU HD1 H 0.376 0.020 2 2175 184 184 LEU HD2 H -0.557 0.020 2 2176 184 184 LEU HG H 1.572 0.020 1 2177 184 184 LEU C C 179.140 0.3 1 2178 184 184 LEU CA C 56.529 0.3 1 2179 184 184 LEU CB C 41.568 0.3 1 2180 184 184 LEU CD1 C 25.712 0.3 2 2181 184 184 LEU CD2 C 20.220 0.3 2 2182 184 184 LEU CG C 25.512 0.3 1 2183 184 184 LEU N N 118.253 0.3 1 2184 185 185 LEU H H 8.253 0.020 1 2185 185 185 LEU HA H 3.824 0.020 1 2186 185 185 LEU HB2 H 1.775 0.020 1 2187 185 185 LEU HB3 H 1.260 0.020 1 2188 185 185 LEU HD1 H 0.557 0.020 2 2189 185 185 LEU HD2 H 0.679 0.020 2 2190 185 185 LEU HG H 1.594 0.020 1 2191 185 185 LEU C C 177.294 0.3 1 2192 185 185 LEU CA C 56.542 0.3 1 2193 185 185 LEU CB C 42.339 0.3 1 2194 185 185 LEU CD1 C 27.024 0.3 1 2195 185 185 LEU CD2 C 23.921 0.3 1 2196 185 185 LEU CG C 26.964 0.3 1 2197 185 185 LEU N N 119.016 0.3 1 2198 186 186 ALA H H 6.800 0.020 1 2199 186 186 ALA HA H 4.210 0.020 1 2200 186 186 ALA HB H 1.263 0.020 1 2201 186 186 ALA C C 177.180 0.3 1 2202 186 186 ALA CA C 51.443 0.3 1 2203 186 186 ALA CB C 19.177 0.3 1 2204 186 186 ALA N N 118.634 0.3 1 2205 187 187 LEU H H 6.627 0.020 1 2206 187 187 LEU HA H 3.687 0.020 1 2207 187 187 LEU HB2 H 1.254 0.020 2 2208 187 187 LEU HB3 H 1.100 0.020 2 2209 187 187 LEU HD1 H -0.006 0.020 2 2210 187 187 LEU HD2 H 0.212 0.020 2 2211 187 187 LEU HG H 1.088 0.020 1 2212 187 187 LEU C C 183.360 0.3 1 2213 187 187 LEU CA C 57.331 0.3 1 2214 187 187 LEU CB C 41.740 0.3 1 2215 187 187 LEU CD1 C 24.892 0.3 2 2216 187 187 LEU CD2 C 22.482 0.3 2 2217 187 187 LEU CG C 25.491 0.3 1 2218 187 187 LEU N N 125.674 0.3 1 stop_ save_