data_15574 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of KP-TerB, a tellurite resistance protein from Klebsiella pneumoniae ; _BMRB_accession_number 15574 _BMRB_flat_file_name bmr15574.str _Entry_type original _Submission_date 2007-11-30 _Accession_date 2007-11-30 _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 Sheng-Kuo Chiang . Sr. 2 Yuan-Chao Lou . Sr. 3 Chinpan Chen . Sr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 892 "13C chemical shifts" 684 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-27 original author . stop_ _Original_release_date 2008-06-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR solution structure of KP-TerB, a tellurite-resistance protein from Klebsiella pneumoniae' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18305192 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chiang Sheng-Kuo . Sr. 2 Lou Yuan-Chao . Sr. 3 Chen Chinpan . Sr. stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 17 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 785 _Page_last 789 _Year 2008 _Details . loop_ _Keyword 'Klebsiella pneumoniae' NMR 'tellurite resistance' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KP-TerB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KP-TerB $KP-TerB stop_ _System_molecular_weight 17753.1 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'tellutite resistant protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KP-TerB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KP-TerB _Molecular_mass 17753.1 _Mol_thiol_state 'all free' loop_ _Biological_function 'tellutite resistant protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; MSFFDKVKGALTSGREELTR QVGRYKNKKFMQGTVAVCAR IAVASDGVSSEEKQKMIGFL RSSEELKVFDTAEVIEFFNK LVTSFDFDLEIGKGETMKYI LALKDQPEAAQLALRVGIAV AKSDGNFDDDEKSAVREIAR SLGFDPAEFGLLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 PHE 4 PHE 5 ASP 6 LYS 7 VAL 8 LYS 9 GLY 10 ALA 11 LEU 12 THR 13 SER 14 GLY 15 ARG 16 GLU 17 GLU 18 LEU 19 THR 20 ARG 21 GLN 22 VAL 23 GLY 24 ARG 25 TYR 26 LYS 27 ASN 28 LYS 29 LYS 30 PHE 31 MET 32 GLN 33 GLY 34 THR 35 VAL 36 ALA 37 VAL 38 CYS 39 ALA 40 ARG 41 ILE 42 ALA 43 VAL 44 ALA 45 SER 46 ASP 47 GLY 48 VAL 49 SER 50 SER 51 GLU 52 GLU 53 LYS 54 GLN 55 LYS 56 MET 57 ILE 58 GLY 59 PHE 60 LEU 61 ARG 62 SER 63 SER 64 GLU 65 GLU 66 LEU 67 LYS 68 VAL 69 PHE 70 ASP 71 THR 72 ALA 73 GLU 74 VAL 75 ILE 76 GLU 77 PHE 78 PHE 79 ASN 80 LYS 81 LEU 82 VAL 83 THR 84 SER 85 PHE 86 ASP 87 PHE 88 ASP 89 LEU 90 GLU 91 ILE 92 GLY 93 LYS 94 GLY 95 GLU 96 THR 97 MET 98 LYS 99 TYR 100 ILE 101 LEU 102 ALA 103 LEU 104 LYS 105 ASP 106 GLN 107 PRO 108 GLU 109 ALA 110 ALA 111 GLN 112 LEU 113 ALA 114 LEU 115 ARG 116 VAL 117 GLY 118 ILE 119 ALA 120 VAL 121 ALA 122 LYS 123 SER 124 ASP 125 GLY 126 ASN 127 PHE 128 ASP 129 ASP 130 ASP 131 GLU 132 LYS 133 SER 134 ALA 135 VAL 136 ARG 137 GLU 138 ILE 139 ALA 140 ARG 141 SER 142 LEU 143 GLY 144 PHE 145 ASP 146 PRO 147 ALA 148 GLU 149 PHE 150 GLY 151 LEU 152 LEU 153 GLU 154 HIS 155 HIS 156 HIS 157 HIS 158 HIS 159 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 2JXU "Nmr Solution Structure Of Kp-Terb, A Tellurite Resistance Protein From Klebsiella Pneumoniae" 96.23 153 100.00 100.00 6.76e-104 DBJ BAH66155 "tellurite resistance protein [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 94.97 151 100.00 100.00 1.69e-102 EMBL CDI26599 "Tellurite resistance protein B [Klebsiella pneumoniae subsp. pneumoniae SA1]" 94.97 151 100.00 100.00 1.69e-102 EMBL CDM79665 "Tellurium resistance protein terB [Klebsiella pneumoniae]" 94.97 151 100.00 100.00 1.69e-102 EMBL CEO83280 "protein TerB [Klebsiella pneumoniae]" 94.97 151 99.34 99.34 1.06e-101 EMBL CEP33512 "Tellurite resistance protein [Klebsiella variicola]" 94.97 151 100.00 100.00 1.69e-102 GB AAA98290 "putative [Plasmid pMJ606]" 74.84 122 99.16 99.16 3.04e-77 GB AAR07675 "TerB [Klebsiella pneumoniae CG43]" 94.97 171 100.00 100.00 6.70e-102 GB ACI12150 "tellurite resistance protein TerB [Klebsiella pneumoniae 342]" 94.97 151 100.00 100.00 1.69e-102 GB AFB82882 "TerB [Klebsiella pneumoniae]" 94.97 153 99.34 99.34 1.12e-101 GB AHE47496 "Tellurium resistance protein terB [Klebsiella pneumoniae subsp. pneumoniae Kp13]" 94.97 153 100.00 100.00 1.44e-102 REF NP_943325 "TerB [Klebsiella pneumoniae CG43]" 94.97 171 100.00 100.00 6.70e-102 REF WP_004026604 "MULTISPECIES: tellurium resistance protein TerB [Enterobacteriaceae]" 94.97 151 100.00 100.00 1.69e-102 REF WP_011154616 "tellurium resistance protein TerB [Klebsiella pneumoniae]" 94.97 171 100.00 100.00 6.70e-102 REF WP_014386550 "protein TerB [Klebsiella pneumoniae]" 94.97 153 99.34 99.34 1.12e-101 REF WP_023287202 "hypothetical protein [Klebsiella pneumoniae]" 94.97 151 99.34 100.00 5.76e-102 SP P18779 "RecName: Full=Tellurium resistance protein TerB" 74.84 122 99.16 99.16 3.04e-77 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 $KP-TerB 'Klebsiella pneumoniae' 573 Bacteria . Klebsiella pneumoniae 'Klebsiella pneumoniae NTUH-K2044' pET29b-TerB-His6 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 $KP-TerB 'recombinant technology' . Escherichia coli . pET29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $KP-TerB . mM 1 2 '[U-99% 13C; U-99% 15N]' D2O 10 % . . '[U-100% 2H]' H2O 90 % . . . stop_ save_ ############################ # Computer software used # ############################ save_AURELIA _Saveframe_category software _Name AURELIA _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer' . . 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'chemical shift assignment' collection refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'with a cryogenic probe.' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 . 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 carbons' ppm 0.0 external indirect . . . 1.0 DSS H 1 'methyl carbons' ppm 0.00 external direct . . . 1.0 '[15N] ammonium chloride' N 15 nitrogen ppm 0.0 external indirect . . . 1.0 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 $AURELIA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' 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 KP-TerB _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 3 3 PHE HA H 4.534 0.02 1 2 3 3 PHE HB2 H 2.988 0.02 2 3 3 3 PHE HB3 H 2.942 0.02 2 4 3 3 PHE HD1 H 7.081 0.02 1 5 3 3 PHE HD2 H 7.081 0.02 1 6 3 3 PHE HE1 H 7.253 0.02 1 7 3 3 PHE HE2 H 7.253 0.02 1 8 3 3 PHE HZ H 7.459 0.02 1 9 3 3 PHE C C 175.303 0.2 1 10 3 3 PHE CA C 58.599 0.2 1 11 3 3 PHE CB C 39.315 0.2 1 12 3 3 PHE CD1 C 131.254 0.2 1 13 3 3 PHE CD2 C 131.254 0.2 1 14 3 3 PHE CE1 C 130.822 0.2 1 15 3 3 PHE CE2 C 130.822 0.2 1 16 3 3 PHE CZ C 133.818 0.2 1 17 4 4 PHE H H 8.114 0.02 1 18 4 4 PHE HA H 4.482 0.02 1 19 4 4 PHE HB2 H 3.128 0.02 2 20 4 4 PHE HB3 H 2.933 0.02 2 21 4 4 PHE HD1 H 7.205 0.02 1 22 4 4 PHE HD2 H 7.205 0.02 1 23 4 4 PHE HE1 H 7.342 0.02 1 24 4 4 PHE HE2 H 7.342 0.02 1 25 4 4 PHE HZ H 6.986 0.02 1 26 4 4 PHE C C 175.165 0.2 1 27 4 4 PHE CA C 57.995 0.2 1 28 4 4 PHE CB C 39.209 0.2 1 29 4 4 PHE CD1 C 131.313 0.2 1 30 4 4 PHE CD2 C 131.313 0.2 1 31 4 4 PHE CE1 C 131.342 0.2 1 32 4 4 PHE CE2 C 131.342 0.2 1 33 4 4 PHE CZ C 130.748 0.2 1 34 4 4 PHE N N 119.782 0.1 1 35 5 5 ASP H H 7.979 0.02 1 36 5 5 ASP HA H 4.522 0.02 1 37 5 5 ASP HB2 H 2.655 0.02 1 38 5 5 ASP HB3 H 2.655 0.02 1 39 5 5 ASP C C 176.181 0.2 1 40 5 5 ASP CA C 54.407 0.2 1 41 5 5 ASP CB C 41.405 0.2 1 42 5 5 ASP N N 121.454 0.1 1 43 6 6 LYS H H 8.118 0.02 1 44 6 6 LYS HA H 4.229 0.02 1 45 6 6 LYS HB2 H 1.797 0.02 1 46 6 6 LYS HB3 H 1.797 0.02 1 47 6 6 LYS HD2 H 1.684 0.02 1 48 6 6 LYS HD3 H 1.684 0.02 1 49 6 6 LYS HE2 H 2.998 0.02 1 50 6 6 LYS HE3 H 2.998 0.02 1 51 6 6 LYS HG2 H 1.440 0.02 1 52 6 6 LYS HG3 H 1.440 0.02 1 53 6 6 LYS C C 176.897 0.2 1 54 6 6 LYS CA C 56.940 0.2 1 55 6 6 LYS CB C 32.666 0.2 1 56 6 6 LYS CD C 28.856 0.2 1 57 6 6 LYS CE C 41.828 0.2 1 58 6 6 LYS CG C 24.652 0.2 1 59 6 6 LYS N N 121.238 0.1 1 60 7 7 VAL H H 8.030 0.02 1 61 7 7 VAL HA H 4.026 0.02 1 62 7 7 VAL HB H 2.086 0.02 1 63 7 7 VAL HG1 H 0.908 0.02 1 64 7 7 VAL HG2 H 0.908 0.02 1 65 7 7 VAL C C 176.412 0.2 1 66 7 7 VAL CA C 62.639 0.2 1 67 7 7 VAL CB C 32.138 0.2 1 68 7 7 VAL CG1 C 20.808 0.2 1 69 7 7 VAL CG2 C 20.808 0.2 1 70 7 7 VAL N N 120.357 0.1 1 71 8 8 LYS H H 8.267 0.02 1 72 8 8 LYS HA H 4.229 0.02 1 73 8 8 LYS HB2 H 1.797 0.02 1 74 8 8 LYS HB3 H 1.797 0.02 1 75 8 8 LYS HD2 H 1.684 0.02 1 76 8 8 LYS HD3 H 1.684 0.02 1 77 8 8 LYS HE2 H 2.998 0.02 1 78 8 8 LYS HE3 H 2.998 0.02 1 79 8 8 LYS HG2 H 1.440 0.02 1 80 8 8 LYS HG3 H 1.440 0.02 1 81 8 8 LYS C C 177.266 0.2 1 82 8 8 LYS CA C 56.940 0.2 1 83 8 8 LYS CB C 32.138 0.2 1 84 8 8 LYS CD C 28.856 0.2 1 85 8 8 LYS CE C 41.828 0.2 1 86 8 8 LYS CG C 24.652 0.2 1 87 8 8 LYS N N 124.046 0.1 1 88 9 9 GLY H H 8.374 0.02 1 89 9 9 GLY HA2 H 3.930 0.02 1 90 9 9 GLY HA3 H 3.930 0.02 1 91 9 9 GLY C C 173.872 0.2 1 92 9 9 GLY CA C 45.225 0.2 1 93 9 9 GLY N N 109.975 0.2 1 94 10 10 ALA H H 8.064 0.02 1 95 10 10 ALA HA H 4.330 0.02 1 96 10 10 ALA HB H 1.396 0.02 1 97 10 10 ALA C C 177.913 0.2 1 98 10 10 ALA CA C 52.567 0.2 1 99 10 10 ALA CB C 19.262 0.2 1 100 10 10 ALA N N 123.306 0.1 1 101 11 11 LEU H H 8.319 0.02 1 102 11 11 LEU HA H 4.404 0.02 1 103 11 11 LEU HB2 H 1.669 0.02 1 104 11 11 LEU HB3 H 1.669 0.02 1 105 11 11 LEU HD1 H 0.927 0.02 2 106 11 11 LEU HD2 H 0.874 0.02 2 107 11 11 LEU HG H 1.676 0.02 1 108 11 11 LEU C C 177.774 0.2 1 109 11 11 LEU CA C 55.779 0.2 1 110 11 11 LEU CB C 42.164 0.2 1 111 11 11 LEU CD1 C 24.772 0.2 1 112 11 11 LEU CD2 C 23.210 0.2 1 113 11 11 LEU CG C 26.694 0.2 1 114 11 11 LEU N N 120.756 0.1 1 115 12 12 THR H H 8.038 0.02 1 116 12 12 THR HA H 4.393 0.02 1 117 12 12 THR HB H 4.295 0.02 1 118 12 12 THR HG2 H 1.207 0.02 1 119 12 12 THR C C 174.703 0.2 1 120 12 12 THR CA C 61.689 0.2 1 121 12 12 THR CB C 70.027 0.2 1 122 12 12 THR CG2 C 21.529 0.2 1 123 12 12 THR N N 113.416 0.1 1 124 13 13 SER H H 8.401 0.02 1 125 13 13 SER HA H 4.500 0.02 1 126 13 13 SER HB2 H 3.930 0.02 1 127 13 13 SER HB3 H 3.930 0.02 1 128 13 13 SER C C 175.257 0.2 1 129 13 13 SER CA C 58.734 0.2 1 130 13 13 SER CB C 64.011 0.2 1 131 13 13 SER N N 117.564 0.1 1 132 14 14 GLY H H 8.588 0.02 1 133 14 14 GLY HA2 H 4.075 0.02 1 134 14 14 GLY HA3 H 4.075 0.02 1 135 14 14 GLY C C 175.488 0.2 1 136 14 14 GLY CA C 45.858 0.2 1 137 14 14 GLY N N 110.735 0.1 1 138 15 15 ARG H H 8.438 0.02 1 139 15 15 ARG HA H 4.164 0.02 1 140 15 15 ARG HB2 H 2.179 0.02 2 141 15 15 ARG HB3 H 1.784 0.02 2 142 15 15 ARG HD2 H 3.237 0.02 1 143 15 15 ARG HD3 H 3.237 0.02 1 144 15 15 ARG HG2 H 1.891 0.02 2 145 15 15 ARG HG3 H 1.559 0.02 2 146 15 15 ARG C C 178.282 0.2 1 147 15 15 ARG CA C 58.734 0.2 1 148 15 15 ARG CB C 30.027 0.2 1 149 15 15 ARG CD C 42.788 0.2 1 150 15 15 ARG CG C 27.174 0.2 1 151 15 15 ARG N N 121.063 0.1 1 152 16 16 GLU H H 8.829 0.02 1 153 16 16 GLU HA H 4.150 0.02 1 154 16 16 GLU HB2 H 2.124 0.02 1 155 16 16 GLU HB3 H 2.124 0.02 1 156 16 16 GLU HG2 H 2.369 0.02 1 157 16 16 GLU HG3 H 2.369 0.02 1 158 16 16 GLU C C 178.559 0.2 1 159 16 16 GLU CA C 58.945 0.2 1 160 16 16 GLU CB C 28.866 0.2 1 161 16 16 GLU CG C 36.204 0.2 1 162 16 16 GLU N N 121.900 0.1 1 163 17 17 GLU H H 8.030 0.02 1 164 17 17 GLU HA H 4.224 0.02 1 165 17 17 GLU HB2 H 2.075 0.02 1 166 17 17 GLU HB3 H 2.075 0.02 1 167 17 17 GLU HG2 H 2.328 0.02 1 168 17 17 GLU HG3 H 2.328 0.02 1 169 17 17 GLU C C 176.897 0.2 1 170 17 17 GLU CA C 58.101 0.2 1 171 17 17 GLU CB C 28.761 0.2 1 172 17 17 GLU CG C 36.182 0.2 1 173 17 17 GLU N N 120.357 0.1 1 174 18 18 LEU H H 7.995 0.02 1 175 18 18 LEU HA H 4.075 0.02 1 176 18 18 LEU HB2 H 2.152 0.02 2 177 18 18 LEU HB3 H 1.478 0.02 2 178 18 18 LEU HD1 H 0.904 0.02 2 179 18 18 LEU HD2 H 0.842 0.02 2 180 18 18 LEU HG H 1.860 0.02 1 181 18 18 LEU C C 178.721 0.2 1 182 18 18 LEU CA C 57.890 0.2 1 183 18 18 LEU CB C 41.425 0.2 1 184 18 18 LEU CD1 C 25.613 0.2 1 185 18 18 LEU CD2 C 22.730 0.2 1 186 18 18 LEU CG C 26.222 0.2 1 187 18 18 LEU N N 119.905 0.1 1 188 19 19 THR H H 8.191 0.02 1 189 19 19 THR HA H 3.732 0.02 1 190 19 19 THR HB H 4.280 0.02 1 191 19 19 THR HG2 H 1.175 0.02 1 192 19 19 THR C C 176.620 0.2 1 193 19 19 THR CA C 66.966 0.2 1 194 19 19 THR CB C 68.328 0.2 1 195 19 19 THR CG2 C 21.769 0.2 1 196 19 19 THR N N 114.414 0.1 1 197 20 20 ARG H H 7.669 0.02 1 198 20 20 ARG HA H 4.075 0.02 1 199 20 20 ARG HB2 H 1.968 0.02 1 200 20 20 ARG HB3 H 1.968 0.02 1 201 20 20 ARG HD2 H 3.238 0.02 1 202 20 20 ARG HD3 H 3.238 0.02 1 203 20 20 ARG HG2 H 1.769 0.02 2 204 20 20 ARG HG3 H 1.596 0.02 2 205 20 20 ARG C C 179.298 0.2 1 206 20 20 ARG CA C 59.156 0.2 1 207 20 20 ARG CB C 30.027 0.2 1 208 20 20 ARG CD C 43.029 0.2 1 209 20 20 ARG CG C 27.534 0.2 1 210 20 20 ARG N N 120.472 0.1 1 211 21 21 GLN H H 7.966 0.02 1 212 21 21 GLN HA H 4.060 0.02 1 213 21 21 GLN HB2 H 2.268 0.02 1 214 21 21 GLN HB3 H 2.268 0.02 1 215 21 21 GLN HE21 H 7.461 0.02 2 216 21 21 GLN HE22 H 6.847 0.02 2 217 21 21 GLN HG2 H 2.580 0.02 1 218 21 21 GLN HG3 H 2.580 0.02 1 219 21 21 GLN C C 178.213 0.2 1 220 21 21 GLN CA C 58.417 0.2 1 221 21 21 GLN CB C 29.077 0.2 1 222 21 21 GLN CG C 34.020 0.2 1 223 21 21 GLN N N 118.745 0.1 1 224 21 21 GLN NE2 N 111.244 0.1 1 225 22 22 VAL H H 8.129 0.02 1 226 22 22 VAL HA H 3.406 0.02 1 227 22 22 VAL HB H 2.216 0.02 1 228 22 22 VAL HG1 H 1.235 0.02 2 229 22 22 VAL HG2 H 1.088 0.02 2 230 22 22 VAL C C 176.804 0.2 1 231 22 22 VAL CA C 66.227 0.2 1 232 22 22 VAL CB C 31.399 0.2 1 233 22 22 VAL CG1 C 23.811 0.2 1 234 22 22 VAL CG2 C 21.889 0.2 1 235 22 22 VAL N N 119.024 0.1 1 236 23 23 GLY H H 7.469 0.02 1 237 23 23 GLY HA2 H 3.856 0.02 2 238 23 23 GLY HA3 H 3.607 0.02 2 239 23 23 GLY C C 174.749 0.2 1 240 23 23 GLY CA C 46.491 0.2 1 241 23 23 GLY N N 103.365 0.1 1 242 24 24 ARG H H 7.287 0.02 1 243 24 24 ARG HA H 4.059 0.02 1 244 24 24 ARG HB2 H 1.488 0.02 2 245 24 24 ARG HB3 H 1.422 0.02 2 246 24 24 ARG HD2 H 3.103 0.02 1 247 24 24 ARG HD3 H 3.103 0.02 1 248 24 24 ARG HG2 H 1.327 0.02 1 249 24 24 ARG HG3 H 1.327 0.02 1 250 24 24 ARG C C 175.950 0.2 1 251 24 24 ARG CA C 56.834 0.2 1 252 24 24 ARG CB C 29.922 0.2 1 253 24 24 ARG CD C 43.149 0.2 1 254 24 24 ARG CG C 27.174 0.2 1 255 24 24 ARG N N 118.184 0.1 1 256 25 25 TYR H H 7.878 0.02 1 257 25 25 TYR HA H 4.449 0.02 1 258 25 25 TYR HB2 H 2.895 0.02 2 259 25 25 TYR HB3 H 1.693 0.02 2 260 25 25 TYR HD1 H 6.928 0.02 1 261 25 25 TYR HD2 H 6.928 0.02 1 262 25 25 TYR HE1 H 6.721 0.02 1 263 25 25 TYR HE2 H 6.721 0.02 1 264 25 25 TYR C C 173.964 0.2 1 265 25 25 TYR CA C 56.834 0.2 1 266 25 25 TYR CB C 38.048 0.2 1 267 25 25 TYR CD1 C 133.230 0.2 1 268 25 25 TYR CD2 C 133.230 0.2 1 269 25 25 TYR CE1 C 117.080 0.2 1 270 25 25 TYR CE2 C 117.080 0.2 1 271 25 25 TYR N N 121.293 0.1 1 272 26 26 LYS H H 7.341 0.02 1 273 26 26 LYS HA H 4.317 0.02 1 274 26 26 LYS HB2 H 1.834 0.02 2 275 26 26 LYS HB3 H 1.581 0.02 2 276 26 26 LYS HD2 H 1.581 0.02 1 277 26 26 LYS HD3 H 1.581 0.02 1 278 26 26 LYS HE2 H 3.019 0.02 1 279 26 26 LYS HE3 H 3.019 0.02 1 280 26 26 LYS HG2 H 1.214 0.02 2 281 26 26 LYS HG3 H 1.116 0.02 2 282 26 26 LYS C C 175.026 0.2 1 283 26 26 LYS CA C 55.884 0.2 1 284 26 26 LYS CB C 29.922 0.2 1 285 26 26 LYS CD C 29.696 0.2 1 286 26 26 LYS CE C 41.467 0.2 1 287 26 26 LYS CG C 24.412 0.2 1 288 26 26 LYS N N 118.694 0.1 1 289 27 27 ASN H H 8.711 0.02 1 290 27 27 ASN HA H 5.079 0.02 1 291 27 27 ASN HB2 H 3.082 0.02 1 292 27 27 ASN HB3 H 3.082 0.02 1 293 27 27 ASN HD21 H 7.741 0.02 2 294 27 27 ASN HD22 H 6.919 0.02 2 295 27 27 ASN C C 174.310 0.2 1 296 27 27 ASN CA C 52.191 0.2 1 297 27 27 ASN CB C 40.898 0.2 1 298 27 27 ASN N N 120.386 0.1 1 299 27 27 ASN ND2 N 114.068 0.1 1 300 28 28 LYS H H 8.794 0.02 1 301 28 28 LYS HA H 3.929 0.02 1 302 28 28 LYS HB2 H 1.934 0.02 2 303 28 28 LYS HB3 H 1.767 0.02 2 304 28 28 LYS HD2 H 1.655 0.02 1 305 28 28 LYS HD3 H 1.655 0.02 1 306 28 28 LYS HE2 H 2.976 0.02 1 307 28 28 LYS HE3 H 2.976 0.02 1 308 28 28 LYS HG2 H 1.340 0.02 1 309 28 28 LYS HG3 H 1.340 0.02 1 310 28 28 LYS C C 177.405 0.2 1 311 28 28 LYS CA C 59.367 0.2 1 312 28 28 LYS CB C 32.349 0.2 1 313 28 28 LYS CD C 28.615 0.2 1 314 28 28 LYS CE C 41.227 0.2 1 315 28 28 LYS CG C 24.291 0.2 1 316 28 28 LYS N N 121.576 0.1 1 317 29 29 LYS H H 8.285 0.02 1 318 29 29 LYS HA H 4.094 0.02 1 319 29 29 LYS HB2 H 1.962 0.02 2 320 29 29 LYS HB3 H 1.856 0.02 2 321 29 29 LYS HD2 H 1.752 0.02 1 322 29 29 LYS HD3 H 1.752 0.02 1 323 29 29 LYS HE2 H 3.037 0.02 1 324 29 29 LYS HE3 H 3.037 0.02 1 325 29 29 LYS HG2 H 1.647 0.02 2 326 29 29 LYS HG3 H 1.460 0.02 2 327 29 29 LYS C C 179.945 0.2 1 328 29 29 LYS CA C 59.578 0.2 1 329 29 29 LYS CB C 32.032 0.2 1 330 29 29 LYS CD C 29.456 0.2 1 331 29 29 LYS CE C 41.828 0.2 1 332 29 29 LYS CG C 24.892 0.2 1 333 29 29 LYS N N 119.222 0.1 1 334 30 30 PHE H H 8.630 0.02 1 335 30 30 PHE HA H 4.108 0.02 1 336 30 30 PHE HB2 H 3.608 0.02 2 337 30 30 PHE HB3 H 3.360 0.02 2 338 30 30 PHE HD1 H 7.304 0.02 1 339 30 30 PHE HD2 H 7.304 0.02 1 340 30 30 PHE HE1 H 6.843 0.02 1 341 30 30 PHE HE2 H 6.843 0.02 1 342 30 30 PHE HZ H 6.986 0.02 1 343 30 30 PHE C C 177.844 0.2 1 344 30 30 PHE CA C 62.850 0.2 1 345 30 30 PHE CB C 39.948 0.2 1 346 30 30 PHE CD1 C 131.328 0.2 1 347 30 30 PHE CD2 C 131.328 0.2 1 348 30 30 PHE CE1 C 128.851 0.2 1 349 30 30 PHE CE2 C 128.851 0.2 1 350 30 30 PHE CZ C 130.734 0.2 1 351 30 30 PHE N N 121.608 0.1 1 352 31 31 MET H H 7.824 0.02 1 353 31 31 MET HA H 3.012 0.02 1 354 31 31 MET HB2 H 1.618 0.02 2 355 31 31 MET HB3 H 0.478 0.02 2 356 31 31 MET HG2 H 1.706 0.02 1 357 31 31 MET HG3 H 1.706 0.02 1 358 31 31 MET C C 177.289 0.2 1 359 31 31 MET CA C 61.056 0.2 1 360 31 31 MET CB C 30.977 0.2 1 361 31 31 MET CG C 32.459 0.2 1 362 31 31 MET N N 121.551 0.1 1 363 32 32 GLN H H 8.576 0.02 1 364 32 32 GLN HA H 3.345 0.02 1 365 32 32 GLN HB2 H 2.037 0.02 2 366 32 32 GLN HB3 H 1.290 0.02 2 367 32 32 GLN HE21 H 7.430 0.02 2 368 32 32 GLN HE22 H 6.799 0.02 2 369 32 32 GLN HG2 H 2.089 0.02 2 370 32 32 GLN HG3 H 0.096 0.02 2 371 32 32 GLN C C 178.698 0.2 1 372 32 32 GLN CA C 58.101 0.2 1 373 32 32 GLN CB C 27.494 0.2 1 374 32 32 GLN CG C 33.660 0.2 1 375 32 32 GLN N N 115.209 0.1 1 376 32 32 GLN NE2 N 111.985 0.1 1 377 33 33 GLY H H 8.089 0.02 1 378 33 33 GLY HA2 H 3.533 0.02 2 379 33 33 GLY HA3 H 3.463 0.02 2 380 33 33 GLY C C 173.872 0.2 1 381 33 33 GLY CA C 47.230 0.2 1 382 33 33 GLY N N 105.679 0.1 1 383 34 34 THR H H 7.876 0.02 1 384 34 34 THR HA H 3.766 0.02 1 385 34 34 THR HB H 3.631 0.02 1 386 34 34 THR HG2 H 1.091 0.02 1 387 34 34 THR C C 176.781 0.2 1 388 34 34 THR CA C 67.599 0.2 1 389 34 34 THR CB C 71.714 0.2 1 390 34 34 THR CG2 C 21.169 0.2 1 391 34 34 THR N N 117.500 0.1 1 392 35 35 VAL H H 8.522 0.02 1 393 35 35 VAL HA H 3.532 0.02 1 394 35 35 VAL HB H 2.314 0.02 1 395 35 35 VAL HG1 H 1.218 0.02 2 396 35 35 VAL HG2 H 1.323 0.02 2 397 35 35 VAL C C 177.636 0.2 1 398 35 35 VAL CA C 67.494 0.2 1 399 35 35 VAL CB C 30.977 0.2 1 400 35 35 VAL CG1 C 25.132 0.2 1 401 35 35 VAL CG2 C 23.331 0.2 1 402 35 35 VAL N N 121.252 0.1 1 403 36 36 ALA H H 8.509 0.02 1 404 36 36 ALA HA H 4.136 0.02 1 405 36 36 ALA HB H 1.850 0.02 1 406 36 36 ALA C C 179.391 0.2 1 407 36 36 ALA CA C 55.779 0.2 1 408 36 36 ALA CB C 19.051 0.2 1 409 36 36 ALA N N 122.431 0.1 1 410 37 37 VAL H H 7.880 0.02 1 411 37 37 VAL HA H 3.489 0.02 1 412 37 37 VAL HB H 2.775 0.02 1 413 37 37 VAL HG1 H 1.050 0.02 1 414 37 37 VAL HG2 H 1.050 0.02 1 415 37 37 VAL C C 177.543 0.2 1 416 37 37 VAL CA C 67.705 0.2 1 417 37 37 VAL CB C 30.766 0.2 1 418 37 37 VAL CG1 C 22.250 0.2 1 419 37 37 VAL CG2 C 22.250 0.2 1 420 37 37 VAL N N 119.550 0.1 1 421 38 38 CYS H H 7.624 0.02 1 422 38 38 CYS HA H 3.928 0.02 1 423 38 38 CYS HB2 H 3.437 0.02 2 424 38 38 CYS HB3 H 3.137 0.02 2 425 38 38 CYS C C 176.758 0.2 1 426 38 38 CYS CA C 64.539 0.2 1 427 38 38 CYS CB C 26.122 0.2 1 428 38 38 CYS N N 116.447 0.1 1 429 39 39 ALA H H 8.833 0.02 1 430 39 39 ALA HA H 4.104 0.02 1 431 39 39 ALA HB H 1.470 0.02 1 432 39 39 ALA C C 177.543 0.2 1 433 39 39 ALA CA C 55.673 0.2 1 434 39 39 ALA CB C 18.418 0.2 1 435 39 39 ALA N N 120.656 0.1 1 436 40 40 ARG H H 8.608 0.02 1 437 40 40 ARG HA H 4.054 0.02 1 438 40 40 ARG HB2 H 1.802 0.02 1 439 40 40 ARG HB3 H 1.802 0.02 1 440 40 40 ARG HD2 H 3.093 0.02 1 441 40 40 ARG HD3 H 3.093 0.02 1 442 40 40 ARG HG2 H 1.470 0.02 1 443 40 40 ARG HG3 H 1.470 0.02 1 444 40 40 ARG C C 178.559 0.2 1 445 40 40 ARG CA C 57.045 0.2 1 446 40 40 ARG CB C 31.821 0.2 1 447 40 40 ARG CD C 42.239 0.2 1 448 40 40 ARG CG C 28.135 0.2 1 449 40 40 ARG N N 115.992 0.1 1 450 41 41 ILE H H 8.129 0.02 1 451 41 41 ILE HA H 3.474 0.02 1 452 41 41 ILE HB H 1.842 0.02 1 453 41 41 ILE HD1 H 0.663 0.02 1 454 41 41 ILE HG12 H 0.768 0.02 1 455 41 41 ILE HG13 H 0.768 0.02 1 456 41 41 ILE HG2 H 0.824 0.02 1 457 41 41 ILE C C 176.804 0.2 1 458 41 41 ILE CA C 65.206 0.2 1 459 41 41 ILE CB C 38.154 0.2 1 460 41 41 ILE CD1 C 14.825 0.2 1 461 41 41 ILE CG1 C 27.655 0.2 1 462 41 41 ILE CG2 C 17.085 0.2 1 463 41 41 ILE N N 119.024 0.1 1 464 42 42 ALA H H 8.179 0.02 1 465 42 42 ALA HA H 4.333 0.02 1 466 42 42 ALA HB H 1.642 0.02 1 467 42 42 ALA C C 177.774 0.2 1 468 42 42 ALA CA C 54.090 0.2 1 469 42 42 ALA CB C 18.101 0.2 1 470 42 42 ALA N N 120.979 0.1 1 471 43 43 VAL H H 7.272 0.02 1 472 43 43 VAL HA H 3.915 0.02 1 473 43 43 VAL HB H 1.467 0.02 1 474 43 43 VAL HG1 H 0.237 0.02 2 475 43 43 VAL HG2 H 0.515 0.02 2 476 43 43 VAL C C 175.858 0.2 1 477 43 43 VAL CA C 61.267 0.2 1 478 43 43 VAL CB C 31.716 0.2 1 479 43 43 VAL CG1 C 21.289 0.2 1 480 43 43 VAL CG2 C 19.727 0.2 1 481 43 43 VAL N N 112.773 0.1 1 482 44 44 ALA H H 7.556 0.02 1 483 44 44 ALA HA H 4.119 0.02 1 484 44 44 ALA HB H 1.469 0.02 1 485 44 44 ALA C C 177.705 0.2 1 486 44 44 ALA CA C 53.668 0.2 1 487 44 44 ALA CB C 19.157 0.2 1 488 44 44 ALA N N 125.815 0.1 1 489 45 45 SER H H 8.415 0.02 1 490 45 45 SER HA H 4.475 0.02 1 491 45 45 SER HB2 H 3.935 0.02 1 492 45 45 SER HB3 H 3.935 0.02 1 493 45 45 SER C C 174.657 0.2 1 494 45 45 SER CA C 59.156 0.2 1 495 45 45 SER CB C 63.272 0.2 1 496 45 45 SER N N 112.889 0.1 1 497 46 46 ASP H H 8.433 0.02 1 498 46 46 ASP HA H 4.529 0.02 1 499 46 46 ASP HB2 H 2.832 0.02 1 500 46 46 ASP HB3 H 2.832 0.02 1 501 46 46 ASP C C 175.442 0.2 1 502 46 46 ASP CA C 54.829 0.2 1 503 46 46 ASP CB C 39.948 0.2 1 504 46 46 ASP N N 118.286 0.1 1 505 47 47 GLY H H 7.729 0.02 1 506 47 47 GLY HA2 H 4.153 0.02 2 507 47 47 GLY HA3 H 3.678 0.02 2 508 47 47 GLY C C 172.324 0.2 1 509 47 47 GLY CA C 44.803 0.2 1 510 47 47 GLY N N 106.647 0.1 1 511 48 48 VAL H H 8.635 0.02 1 512 48 48 VAL HA H 4.336 0.02 1 513 48 48 VAL HB H 2.085 0.02 1 514 48 48 VAL HG1 H 0.893 0.02 1 515 48 48 VAL HG2 H 0.893 0.02 1 516 48 48 VAL C C 175.511 0.2 1 517 48 48 VAL CA C 61.267 0.2 1 518 48 48 VAL CB C 32.243 0.2 1 519 48 48 VAL CG1 C 21.048 0.2 1 520 48 48 VAL CG2 C 21.048 0.2 1 521 48 48 VAL N N 120.191 0.1 1 522 49 49 SER H H 8.784 0.02 1 523 49 49 SER HA H 4.537 0.02 1 524 49 49 SER HB2 H 4.389 0.02 2 525 49 49 SER HB3 H 4.086 0.02 2 526 49 49 SER C C 175.096 0.2 1 527 49 49 SER CA C 57.784 0.2 1 528 49 49 SER CB C 65.066 0.2 1 529 49 49 SER N N 123.892 0.1 1 530 50 50 SER H H 8.707 0.02 1 531 50 50 SER HA H 4.392 0.02 1 532 50 50 SER HB2 H 4.098 0.02 2 533 50 50 SER HB3 H 4.015 0.02 2 534 50 50 SER C C 176.828 0.2 1 535 50 50 SER CA C 62.006 0.2 1 536 50 50 SER CB C 64.961 0.2 1 537 50 50 SER N N 120.608 0.1 1 538 51 51 GLU H H 8.426 0.02 1 539 51 51 GLU HA H 4.502 0.02 1 540 51 51 GLU HB2 H 2.281 0.02 2 541 51 51 GLU HB3 H 2.087 0.02 2 542 51 51 GLU C C 175.927 0.2 1 543 51 51 GLU CA C 56.201 0.2 1 544 51 51 GLU CB C 30.449 0.2 1 545 51 51 GLU CG C 36.302 0.2 1 546 51 51 GLU N N 121.943 0.1 1 547 52 52 GLU H H 8.115 0.02 1 548 52 52 GLU HA H 4.100 0.02 1 549 52 52 GLU HB2 H 2.271 0.02 2 550 52 52 GLU HB3 H 2.202 0.02 2 551 52 52 GLU HG2 H 2.747 0.02 1 552 52 52 GLU HG3 H 2.747 0.02 1 553 52 52 GLU C C 178.744 0.2 1 554 52 52 GLU CA C 58.840 0.2 1 555 52 52 GLU CB C 28.550 0.2 1 556 52 52 GLU CG C 34.141 0.2 1 557 52 52 GLU N N 121.846 0.1 1 558 53 53 LYS H H 8.115 0.02 1 559 53 53 LYS HA H 3.871 0.02 1 560 53 53 LYS HB2 H 2.055 0.02 2 561 53 53 LYS HB3 H 1.956 0.02 2 562 53 53 LYS HD2 H 1.670 0.02 1 563 53 53 LYS HD3 H 1.670 0.02 1 564 53 53 LYS HE2 H 2.886 0.02 1 565 53 53 LYS HE3 H 2.886 0.02 1 566 53 53 LYS HG2 H 1.503 0.02 1 567 53 53 LYS HG3 H 1.503 0.02 1 568 53 53 LYS C C 177.659 0.2 1 569 53 53 LYS CA C 61.056 0.2 1 570 53 53 LYS CB C 32.138 0.2 1 571 53 53 LYS CD C 29.456 0.2 1 572 53 53 LYS CE C 41.587 0.2 1 573 53 53 LYS CG C 25.733 0.2 1 574 53 53 LYS N N 121.846 0.1 1 575 54 54 GLN H H 7.855 0.02 1 576 54 54 GLN HA H 3.991 0.02 1 577 54 54 GLN HB2 H 2.139 0.02 1 578 54 54 GLN HB3 H 2.139 0.02 1 579 54 54 GLN HE21 H 7.805 0.02 2 580 54 54 GLN HE22 H 6.755 0.02 2 581 54 54 GLN HG2 H 2.498 0.02 1 582 54 54 GLN HG3 H 2.498 0.02 1 583 54 54 GLN C C 179.068 0.2 1 584 54 54 GLN CA C 58.419 0.2 1 585 54 54 GLN CB C 28.022 0.2 1 586 54 54 GLN CG C 33.540 0.2 1 587 54 54 GLN N N 115.672 0.1 1 588 54 54 GLN NE2 N 111.241 0.1 1 589 55 55 LYS H H 8.029 0.02 1 590 55 55 LYS HA H 3.707 0.02 1 591 55 55 LYS HB2 H 1.712 0.02 1 592 55 55 LYS HB3 H 1.712 0.02 1 593 55 55 LYS HD2 H 1.724 0.02 1 594 55 55 LYS HD3 H 1.724 0.02 1 595 55 55 LYS HE2 H 2.911 0.02 1 596 55 55 LYS HE3 H 2.911 0.02 1 597 55 55 LYS HG2 H 1.225 0.02 2 598 55 55 LYS HG3 H 0.789 0.02 2 599 55 55 LYS C C 178.375 0.2 1 600 55 55 LYS CA C 58.840 0.2 1 601 55 55 LYS CB C 31.399 0.2 1 602 55 55 LYS CD C 27.294 0.2 1 603 55 55 LYS CE C 41.898 0.2 1 604 55 55 LYS CG C 24.171 0.2 1 605 55 55 LYS N N 121.524 0.1 1 606 56 56 MET H H 8.122 0.02 1 607 56 56 MET HA H 4.186 0.02 1 608 56 56 MET HB2 H 2.158 0.02 2 609 56 56 MET HB3 H 1.806 0.02 2 610 56 56 MET HG2 H 2.493 0.02 1 611 56 56 MET HG3 H 2.493 0.02 1 612 56 56 MET C C 178.144 0.2 1 613 56 56 MET CA C 56.412 0.2 1 614 56 56 MET CB C 30.238 0.2 1 615 56 56 MET CG C 32.459 0.2 1 616 56 56 MET N N 117.744 0.1 1 617 57 57 ILE H H 8.168 0.02 1 618 57 57 ILE HA H 3.312 0.02 1 619 57 57 ILE HB H 1.868 0.02 1 620 57 57 ILE HD1 H 1.012 0.02 1 621 57 57 ILE HG12 H 0.953 0.02 1 622 57 57 ILE HG13 H 0.953 0.02 1 623 57 57 ILE HG2 H 0.900 0.02 1 624 57 57 ILE C C 177.774 0.2 1 625 57 57 ILE CA C 66.333 0.2 1 626 57 57 ILE CB C 37.415 0.2 1 627 57 57 ILE CD1 C 13.361 0.2 1 628 57 57 ILE CG1 C 30.898 0.2 1 629 57 57 ILE CG2 C 16.484 0.2 1 630 57 57 ILE N N 119.918 0.1 1 631 58 58 GLY H H 7.686 0.02 1 632 58 58 GLY HA2 H 3.848 0.02 2 633 58 58 GLY HA3 H 3.795 0.02 2 634 58 58 GLY C C 177.266 0.2 1 635 58 58 GLY CA C 47.019 0.2 1 636 58 58 GLY N N 106.405 0.1 1 637 59 59 PHE H H 7.955 0.02 1 638 59 59 PHE HA H 4.715 0.02 1 639 59 59 PHE HB2 H 3.418 0.02 2 640 59 59 PHE HB3 H 3.321 0.02 2 641 59 59 PHE HD1 H 7.340 0.02 1 642 59 59 PHE HD2 H 7.340 0.02 1 643 59 59 PHE HE1 H 7.378 0.02 1 644 59 59 PHE HE2 H 7.378 0.02 1 645 59 59 PHE HZ H 7.264 0.02 1 646 59 59 PHE C C 179.760 0.2 1 647 59 59 PHE CA C 58.417 0.2 1 648 59 59 PHE CB C 36.782 0.2 1 649 59 59 PHE CD1 C 131.284 0.2 1 650 59 59 PHE CD2 C 131.284 0.2 1 651 59 59 PHE CE1 C 131.284 0.2 1 652 59 59 PHE CE2 C 131.284 0.2 1 653 59 59 PHE CZ C 129.053 0.2 1 654 59 59 PHE N N 122.717 0.1 1 655 60 60 LEU H H 8.771 0.02 1 656 60 60 LEU HA H 3.904 0.02 1 657 60 60 LEU HB2 H 1.947 0.02 2 658 60 60 LEU HB3 H 1.069 0.02 2 659 60 60 LEU HD1 H 0.182 0.02 2 660 60 60 LEU HD2 H 0.782 0.02 2 661 60 60 LEU HG H 1.516 0.02 1 662 60 60 LEU C C 179.021 0.2 1 663 60 60 LEU CA C 58.417 0.2 1 664 60 60 LEU CB C 41.848 0.2 1 665 60 60 LEU CD1 C 25.012 0.2 1 666 60 60 LEU CD2 C 23.811 0.2 1 667 60 60 LEU CG C 26.453 0.2 1 668 60 60 LEU N N 122.290 0.1 1 669 61 61 ARG H H 8.467 0.02 1 670 61 61 ARG HA H 3.899 0.02 1 671 61 61 ARG HB2 H 1.924 0.02 1 672 61 61 ARG HB3 H 1.924 0.02 1 673 61 61 ARG HD2 H 3.172 0.02 1 674 61 61 ARG HD3 H 3.172 0.02 1 675 61 61 ARG HG2 H 1.873 0.02 2 676 61 61 ARG HG3 H 1.560 0.02 2 677 61 61 ARG C C 177.289 0.2 1 678 61 61 ARG CA C 59.473 0.2 1 679 61 61 ARG CB C 30.344 0.2 1 680 61 61 ARG CD C 43.269 0.2 1 681 61 61 ARG CG C 28.255 0.2 1 682 61 61 ARG N N 116.808 0.1 1 683 62 62 SER H H 7.721 0.02 1 684 62 62 SER HA H 4.489 0.02 1 685 62 62 SER HB2 H 4.092 0.02 2 686 62 62 SER HB3 H 3.998 0.02 2 687 62 62 SER C C 174.588 0.2 1 688 62 62 SER CA C 59.051 0.2 1 689 62 62 SER CB C 64.220 0.2 1 690 62 62 SER N N 110.227 0.1 1 691 63 63 SER H H 7.099 0.02 1 692 63 63 SER HA H 4.365 0.02 1 693 63 63 SER HB2 H 4.180 0.02 2 694 63 63 SER HB3 H 4.001 0.02 2 695 63 63 SER C C 176.250 0.2 1 696 63 63 SER CA C 58.206 0.2 1 697 63 63 SER CB C 63.905 0.2 1 698 63 63 SER N N 115.952 0.1 1 699 64 64 GLU H H 9.343 0.02 1 700 64 64 GLU HA H 4.074 0.02 1 701 64 64 GLU HB2 H 2.066 0.02 2 702 64 64 GLU HB3 H 1.981 0.02 2 703 64 64 GLU HG2 H 2.360 0.02 1 704 64 64 GLU HG3 H 2.360 0.02 1 705 64 64 GLU C C 179.021 0.2 1 706 64 64 GLU CA C 58.523 0.2 1 707 64 64 GLU CB C 29.288 0.2 1 708 64 64 GLU CG C 35.822 0.2 1 709 64 64 GLU N N 131.949 0.1 1 710 65 65 GLU H H 9.639 0.02 1 711 65 65 GLU HA H 3.988 0.02 1 712 65 65 GLU HB2 H 1.945 0.02 2 713 65 65 GLU HB3 H 1.820 0.02 2 714 65 65 GLU HG2 H 2.564 0.02 2 715 65 65 GLU HG3 H 2.376 0.02 2 716 65 65 GLU C C 177.451 0.2 1 717 65 65 GLU CA C 60.845 0.2 1 718 65 65 GLU CB C 29.077 0.2 1 719 65 65 GLU CG C 36.182 0.2 1 720 65 65 GLU N N 118.898 0.1 1 721 66 66 LEU H H 7.331 0.02 1 722 66 66 LEU HA H 4.702 0.02 1 723 66 66 LEU HB2 H 2.007 0.02 1 724 66 66 LEU HB3 H 2.007 0.02 1 725 66 66 LEU HD1 H 0.964 0.02 2 726 66 66 LEU HD2 H 1.020 0.02 2 727 66 66 LEU HG H 1.797 0.02 1 728 66 66 LEU C C 178.190 0.2 1 729 66 66 LEU CA C 55.774 0.2 1 730 66 66 LEU CB C 41.425 0.2 1 731 66 66 LEU CD1 C 26.453 0.2 1 732 66 66 LEU CD2 C 22.009 0.2 1 733 66 66 LEU CG C 26.453 0.2 1 734 66 66 LEU N N 110.546 0.1 1 735 67 67 LYS H H 7.452 0.02 1 736 67 67 LYS HA H 4.304 0.02 1 737 67 67 LYS HB2 H 2.017 0.02 1 738 67 67 LYS HB3 H 2.017 0.02 1 739 67 67 LYS HD2 H 1.750 0.02 1 740 67 67 LYS HD3 H 1.750 0.02 1 741 67 67 LYS HE2 H 2.998 0.02 1 742 67 67 LYS HE3 H 2.998 0.02 1 743 67 67 LYS HG2 H 1.738 0.02 1 744 67 67 LYS HG3 H 1.738 0.02 1 745 67 67 LYS C C 176.666 0.2 1 746 67 67 LYS CA C 58.206 0.2 1 747 67 67 LYS CB C 31.716 0.2 1 748 67 67 LYS CD C 28.615 0.2 1 749 67 67 LYS CE C 41.948 0.2 1 750 67 67 LYS CG C 25.012 0.2 1 751 67 67 LYS N N 120.197 0.1 1 752 68 68 VAL H H 6.685 0.02 1 753 68 68 VAL HA H 3.945 0.02 1 754 68 68 VAL HB H 1.804 0.02 1 755 68 68 VAL HG1 H 0.643 0.02 2 756 68 68 VAL HG2 H 0.170 0.02 2 757 68 68 VAL C C 174.911 0.2 1 758 68 68 VAL CA C 62.533 0.2 1 759 68 68 VAL CB C 30.870 0.2 1 760 68 68 VAL CG1 C 20.928 0.2 1 761 68 68 VAL CG2 C 18.406 0.2 1 762 68 68 VAL N N 109.547 0.1 1 763 69 69 PHE H H 7.933 0.02 1 764 69 69 PHE HA H 4.737 0.02 1 765 69 69 PHE HB2 H 3.243 0.02 2 766 69 69 PHE HB3 H 2.816 0.02 2 767 69 69 PHE HD1 H 7.187 0.02 1 768 69 69 PHE HD2 H 7.187 0.02 1 769 69 69 PHE HE1 H 7.316 0.02 1 770 69 69 PHE HE2 H 7.316 0.02 1 771 69 69 PHE HZ H 7.393 0.02 1 772 69 69 PHE C C 174.126 0.2 1 773 69 69 PHE CA C 56.095 0.2 1 774 69 69 PHE CB C 40.476 0.2 1 775 69 69 PHE CD1 C 131.328 0.2 1 776 69 69 PHE CD2 C 131.328 0.2 1 777 69 69 PHE CE1 C 131.328 0.2 1 778 69 69 PHE CE2 C 131.328 0.2 1 779 69 69 PHE CZ C 130.792 0.2 1 780 69 69 PHE N N 120.538 0.1 1 781 70 70 ASP H H 8.846 0.02 1 782 70 70 ASP HA H 4.569 0.02 1 783 70 70 ASP HB2 H 2.943 0.02 2 784 70 70 ASP HB3 H 2.746 0.02 2 785 70 70 ASP C C 177.497 0.2 1 786 70 70 ASP CA C 54.512 0.2 1 787 70 70 ASP CB C 41.531 0.2 1 788 70 70 ASP N N 121.349 0.1 1 789 71 71 THR H H 8.460 0.02 1 790 71 71 THR HA H 3.999 0.02 1 791 71 71 THR HB H 3.999 0.02 1 792 71 71 THR HG2 H 1.352 0.02 1 793 71 71 THR C C 175.534 0.2 1 794 71 71 THR CA C 66.333 0.2 1 795 71 71 THR CB C 68.971 0.2 1 796 71 71 THR CG2 C 23.090 0.2 1 797 71 71 THR N N 125.716 0.1 1 798 72 72 ALA H H 8.308 0.02 1 799 72 72 ALA HA H 4.128 0.02 1 800 72 72 ALA HB H 1.530 0.02 1 801 72 72 ALA C C 180.823 0.2 1 802 72 72 ALA CA C 55.568 0.2 1 803 72 72 ALA CB C 17.468 0.2 1 804 72 72 ALA N N 121.733 0.1 1 805 73 73 GLU H H 7.834 0.02 1 806 73 73 GLU HA H 4.102 0.02 1 807 73 73 GLU HB2 H 2.235 0.02 1 808 73 73 GLU HB3 H 2.235 0.02 1 809 73 73 GLU HG2 H 2.491 0.02 1 810 73 73 GLU HG3 H 2.491 0.02 1 811 73 73 GLU C C 179.506 0.2 1 812 73 73 GLU CA C 59.473 0.2 1 813 73 73 GLU CB C 29.605 0.2 1 814 73 73 GLU CG C 36.302 0.2 1 815 73 73 GLU N N 119.498 0.1 1 816 74 74 VAL H H 8.066 0.02 1 817 74 74 VAL HA H 3.765 0.02 1 818 74 74 VAL HB H 2.539 0.02 1 819 74 74 VAL HG1 H 1.132 0.02 2 820 74 74 VAL HG2 H 0.987 0.02 2 821 74 74 VAL C C 177.543 0.2 1 822 74 74 VAL CA C 66.755 0.2 1 823 74 74 VAL CB C 32.032 0.2 1 824 74 74 VAL CG1 C 22.370 0.2 1 825 74 74 VAL CG2 C 22.370 0.2 1 826 74 74 VAL N N 122.032 0.1 1 827 75 75 ILE H H 8.347 0.02 1 828 75 75 ILE HA H 3.731 0.02 1 829 75 75 ILE HB H 2.066 0.02 1 830 75 75 ILE HD1 H 0.800 0.02 1 831 75 75 ILE HG12 H 1.556 0.02 1 832 75 75 ILE HG13 H 1.556 0.02 1 833 75 75 ILE HG2 H 0.993 0.02 1 834 75 75 ILE C C 178.098 0.2 1 835 75 75 ILE CA C 63.589 0.2 1 836 75 75 ILE CB C 36.465 0.2 1 837 75 75 ILE CD1 C 12.290 0.2 1 838 75 75 ILE CG1 C 28.255 0.2 1 839 75 75 ILE CG2 C 17.685 0.2 1 840 75 75 ILE N N 117.770 0.1 1 841 76 76 GLU H H 8.489 0.02 1 842 76 76 GLU HA H 4.153 0.02 1 843 76 76 GLU HB2 H 2.242 0.02 2 844 76 76 GLU HB3 H 2.121 0.02 2 845 76 76 GLU HG2 H 2.366 0.02 1 846 76 76 GLU HG3 H 2.366 0.02 1 847 76 76 GLU C C 179.137 0.2 1 848 76 76 GLU CA C 59.684 0.2 1 849 76 76 GLU CB C 30.133 0.2 1 850 76 76 GLU CG C 36.062 0.2 1 851 76 76 GLU N N 120.608 0.1 1 852 77 77 PHE H H 8.268 0.02 1 853 77 77 PHE HA H 4.316 0.02 1 854 77 77 PHE HB2 H 3.367 0.02 2 855 77 77 PHE HB3 H 2.994 0.02 2 856 77 77 PHE HD1 H 7.470 0.02 1 857 77 77 PHE HD2 H 7.470 0.02 1 858 77 77 PHE HE1 H 6.846 0.02 1 859 77 77 PHE HE2 H 6.846 0.02 1 860 77 77 PHE HZ H 7.099 0.02 1 861 77 77 PHE C C 176.504 0.2 1 862 77 77 PHE CA C 61.900 0.2 1 863 77 77 PHE CB C 38.470 0.2 1 864 77 77 PHE CD1 C 133.840 0.2 1 865 77 77 PHE CD2 C 133.840 0.2 1 866 77 77 PHE CE1 C 128.887 0.2 1 867 77 77 PHE CE2 C 128.887 0.2 1 868 77 77 PHE CZ C 130.340 0.2 1 869 77 77 PHE N N 120.854 0.1 1 870 78 78 PHE H H 8.442 0.02 1 871 78 78 PHE HA H 3.627 0.02 1 872 78 78 PHE HB2 H 3.160 0.02 2 873 78 78 PHE HB3 H 3.060 0.02 2 874 78 78 PHE HD1 H 7.060 0.02 1 875 78 78 PHE HD2 H 7.060 0.02 1 876 78 78 PHE HE1 H 7.060 0.02 1 877 78 78 PHE HE2 H 7.060 0.02 1 878 78 78 PHE HZ H 6.993 0.02 1 879 78 78 PHE C C 176.504 0.2 1 880 78 78 PHE CA C 62.111 0.2 1 881 78 78 PHE CB C 38.681 0.2 1 882 78 78 PHE CD1 C 131.254 0.2 1 883 78 78 PHE CD2 C 131.254 0.2 1 884 78 78 PHE CE1 C 131.254 0.2 1 885 78 78 PHE CE2 C 131.254 0.2 1 886 78 78 PHE CZ C 130.730 0.2 1 887 78 78 PHE N N 119.319 0.1 1 888 79 79 ASN H H 8.789 0.02 1 889 79 79 ASN HA H 4.188 0.02 1 890 79 79 ASN HB2 H 2.880 0.02 2 891 79 79 ASN HB3 H 2.687 0.02 2 892 79 79 ASN HD21 H 7.210 0.02 2 893 79 79 ASN HD22 H 6.414 0.02 2 894 79 79 ASN C C 178.190 0.2 1 895 79 79 ASN CA C 55.854 0.2 1 896 79 79 ASN CB C 38.259 0.2 1 897 79 79 ASN N N 116.018 0.1 1 898 79 79 ASN ND2 N 110.274 0.1 1 899 80 80 LYS H H 8.104 0.02 1 900 80 80 LYS HA H 3.888 0.02 1 901 80 80 LYS HB2 H 1.897 0.02 1 902 80 80 LYS HB3 H 1.897 0.02 1 903 80 80 LYS HD2 H 1.676 0.02 1 904 80 80 LYS HD3 H 1.676 0.02 1 905 80 80 LYS HE2 H 2.973 0.02 1 906 80 80 LYS HE3 H 2.973 0.02 1 907 80 80 LYS HG2 H 1.393 0.02 2 908 80 80 LYS HG3 H 1.197 0.02 2 909 80 80 LYS C C 179.252 0.2 1 910 80 80 LYS CA C 59.684 0.2 1 911 80 80 LYS CB C 31.716 0.2 1 912 80 80 LYS CD C 29.456 0.2 1 913 80 80 LYS CE C 42.068 0.2 1 914 80 80 LYS CG C 24.532 0.2 1 915 80 80 LYS N N 123.770 0.1 1 916 81 81 LEU H H 7.525 0.02 1 917 81 81 LEU HA H 3.737 0.02 1 918 81 81 LEU HB2 H 1.451 0.02 2 919 81 81 LEU HB3 H 0.869 0.02 2 920 81 81 LEU HD1 H 0.556 0.02 2 921 81 81 LEU HD2 H 0.516 0.02 2 922 81 81 LEU HG H 0.960 0.02 1 923 81 81 LEU C C 179.645 0.2 1 924 81 81 LEU CA C 57.573 0.2 1 925 81 81 LEU CB C 40.370 0.2 1 926 81 81 LEU CD1 C 26.917 0.2 1 927 81 81 LEU CD2 C 21.649 0.2 1 928 81 81 LEU CG C 25.012 0.2 1 929 81 81 LEU N N 119.122 0.1 1 930 82 82 VAL H H 8.111 0.02 1 931 82 82 VAL HA H 3.560 0.02 1 932 82 82 VAL HB H 1.804 0.02 1 933 82 82 VAL HG1 H 0.697 0.02 2 934 82 82 VAL HG2 H 0.395 0.02 2 935 82 82 VAL C C 178.398 0.2 1 936 82 82 VAL CA C 66.333 0.2 1 937 82 82 VAL CB C 30.766 0.2 1 938 82 82 VAL CG1 C 22.009 0.2 1 939 82 82 VAL CG2 C 22.009 0.2 1 940 82 82 VAL N N 116.808 0.1 1 941 83 83 THR H H 8.111 0.02 1 942 83 83 THR HA H 4.000 0.02 1 943 83 83 THR HB H 4.210 0.02 1 944 83 83 THR HG2 H 1.255 0.02 1 945 83 83 THR C C 176.574 0.2 1 946 83 83 THR CA C 66.333 0.2 1 947 83 83 THR CB C 68.866 0.2 1 948 83 83 THR CG2 C 21.409 0.2 1 949 83 83 THR N N 116.808 0.1 1 950 84 84 SER H H 7.386 0.02 1 951 84 84 SER HA H 3.943 0.02 1 952 84 84 SER HB2 H 3.779 0.02 1 953 84 84 SER HB3 H 3.779 0.02 1 954 84 84 SER C C 174.934 0.2 1 955 84 84 SER CA C 62.217 0.2 1 956 84 84 SER CB C 66.646 0.2 1 957 84 84 SER N N 117.968 0.1 1 958 85 85 PHE H H 7.428 0.02 1 959 85 85 PHE HA H 4.422 0.02 1 960 85 85 PHE HB2 H 3.210 0.02 1 961 85 85 PHE HB3 H 3.210 0.02 1 962 85 85 PHE HD1 H 7.284 0.02 1 963 85 85 PHE HD2 H 7.284 0.02 1 964 85 85 PHE HE1 H 7.297 0.02 1 965 85 85 PHE HE2 H 7.297 0.02 1 966 85 85 PHE HZ H 7.196 0.02 1 967 85 85 PHE C C 176.989 0.2 1 968 85 85 PHE CA C 59.684 0.2 1 969 85 85 PHE CB C 38.259 0.2 1 970 85 85 PHE CD1 C 129.604 0.2 1 971 85 85 PHE CD2 C 129.604 0.2 1 972 85 85 PHE CE1 C 129.589 0.2 1 973 85 85 PHE CE2 C 129.589 0.2 1 974 85 85 PHE CZ C 130.835 0.2 1 975 85 85 PHE N N 118.617 0.1 1 976 86 86 ASP H H 7.835 0.02 1 977 86 86 ASP HA H 4.353 0.02 1 978 86 86 ASP HB2 H 2.783 0.02 2 979 86 86 ASP HB3 H 2.583 0.02 2 980 86 86 ASP C C 177.405 0.2 1 981 86 86 ASP CA C 56.412 0.2 1 982 86 86 ASP CB C 40.581 0.2 1 983 86 86 ASP N N 117.190 0.1 1 984 87 87 PHE H H 7.651 0.02 1 985 87 87 PHE HA H 4.464 0.02 1 986 87 87 PHE HB2 H 3.213 0.02 1 987 87 87 PHE HB3 H 3.213 0.02 1 988 87 87 PHE HD1 H 7.344 0.02 1 989 87 87 PHE HD2 H 7.344 0.02 1 990 87 87 PHE HE1 H 7.394 0.02 1 991 87 87 PHE HE2 H 7.394 0.02 1 992 87 87 PHE HZ H 7.256 0.02 1 993 87 87 PHE C C 176.135 0.2 1 994 87 87 PHE CA C 59.789 0.2 1 995 87 87 PHE CB C 39.315 0.2 1 996 87 87 PHE CD1 C 131.299 0.2 1 997 87 87 PHE CD2 C 131.299 0.2 1 998 87 87 PHE CE1 C 130.806 0.2 1 999 87 87 PHE CE2 C 130.806 0.2 1 1000 87 87 PHE CZ C 128.794 0.2 1 1001 87 87 PHE N N 119.023 0.2 1 1002 88 88 ASP H H 7.818 0.1 1 1003 88 88 ASP HA H 4.546 0.02 1 1004 88 88 ASP HB2 H 2.646 0.02 1 1005 88 88 ASP HB3 H 2.646 0.02 1 1006 88 88 ASP C C 175.188 0.2 1 1007 88 88 ASP CA C 55.251 0.2 1 1008 88 88 ASP CB C 43.642 0.2 1 1009 88 88 ASP N N 117.388 0.1 1 1010 89 89 LEU H H 8.828 0.02 1 1011 89 89 LEU HA H 4.315 0.02 1 1012 89 89 LEU HB2 H 1.802 0.02 1 1013 89 89 LEU HB3 H 1.802 0.02 1 1014 89 89 LEU HD1 H 0.960 0.02 2 1015 89 89 LEU HD2 H 0.910 0.02 2 1016 89 89 LEU HG H 1.670 0.02 1 1017 89 89 LEU C C 178.444 0.2 1 1018 89 89 LEU CA C 59.156 0.2 1 1019 89 89 LEU CB C 42.481 0.2 1 1020 89 89 LEU CD1 C 25.100 0.2 1 1021 89 89 LEU CD2 C 24.171 0.2 1 1022 89 89 LEU CG C 26.694 0.2 1 1023 89 89 LEU N N 128.757 0.1 1 1024 90 90 GLU H H 8.252 0.02 1 1025 90 90 GLU HA H 4.076 0.02 1 1026 90 90 GLU HB2 H 2.138 0.02 1 1027 90 90 GLU HB3 H 2.138 0.02 1 1028 90 90 GLU HG2 H 2.364 0.02 1 1029 90 90 GLU HG3 H 2.364 0.02 1 1030 90 90 GLU C C 180.892 0.2 1 1031 90 90 GLU CA C 59.156 0.2 1 1032 90 90 GLU CB C 28.655 0.2 1 1033 90 90 GLU CG C 35.942 0.2 1 1034 90 90 GLU N N 116.912 0.1 1 1035 91 91 ILE H H 8.512 0.02 1 1036 91 91 ILE HA H 3.850 0.02 1 1037 91 91 ILE HB H 2.041 0.02 1 1038 91 91 ILE HD1 H 0.912 0.02 1 1039 91 91 ILE HG12 H 1.670 0.02 2 1040 91 91 ILE HG13 H 1.254 0.02 2 1041 91 91 ILE HG2 H 0.970 0.02 1 1042 91 91 ILE C C 179.599 0.2 1 1043 91 91 ILE CA C 64.433 0.2 1 1044 91 91 ILE CB C 36.782 0.2 1 1045 91 91 ILE CD1 C 11.800 0.2 1 1046 91 91 ILE CG1 C 28.615 0.2 1 1047 91 91 ILE CG2 C 16.604 0.2 1 1048 91 91 ILE N N 123.484 0.1 1 1049 92 92 GLY H H 8.535 0.02 1 1050 92 92 GLY HA2 H 3.610 0.02 1 1051 92 92 GLY HA3 H 3.610 0.02 1 1052 92 92 GLY C C 177.151 0.2 1 1053 92 92 GLY CA C 47.125 0.2 1 1054 92 92 GLY N N 108.625 0.1 1 1055 93 93 LYS H H 8.784 0.02 1 1056 93 93 LYS HA H 3.875 0.02 1 1057 93 93 LYS HB2 H 2.011 0.02 2 1058 93 93 LYS HB3 H 1.941 0.02 2 1059 93 93 LYS HD2 H 1.682 0.02 1 1060 93 93 LYS HD3 H 1.682 0.02 1 1061 93 93 LYS HE2 H 2.765 0.02 1 1062 93 93 LYS HE3 H 2.765 0.02 1 1063 93 93 LYS HG2 H 1.788 0.02 1 1064 93 93 LYS HG3 H 1.788 0.02 1 1065 93 93 LYS C C 178.698 0.2 1 1066 93 93 LYS CA C 61.584 0.2 1 1067 93 93 LYS CB C 32.138 0.2 1 1068 93 93 LYS CD C 29.576 0.2 1 1069 93 93 LYS CE C 40.867 0.2 1 1070 93 93 LYS CG C 26.814 0.2 1 1071 93 93 LYS N N 123.892 0.1 1 1072 94 94 GLY H H 8.018 0.02 1 1073 94 94 GLY HA2 H 4.003 0.02 2 1074 94 94 GLY HA3 H 3.827 0.02 2 1075 94 94 GLY C C 176.689 0.2 1 1076 94 94 GLY CA C 47.125 0.2 1 1077 94 94 GLY N N 107.418 0.1 1 1078 95 95 GLU H H 8.407 0.02 1 1079 95 95 GLU HA H 4.070 0.02 1 1080 95 95 GLU HB2 H 2.145 0.02 1 1081 95 95 GLU HB3 H 2.145 0.02 1 1082 95 95 GLU HG2 H 2.360 0.02 1 1083 95 95 GLU HG3 H 2.360 0.02 1 1084 95 95 GLU C C 178.583 0.2 1 1085 95 95 GLU CA C 59.156 0.2 1 1086 95 95 GLU CB C 29.288 0.2 1 1087 95 95 GLU CG C 35.702 0.2 1 1088 95 95 GLU N N 122.786 0.1 1 1089 96 96 THR H H 8.061 0.02 1 1090 96 96 THR HA H 4.134 0.02 1 1091 96 96 THR HB H 4.340 0.02 1 1092 96 96 THR HG2 H 1.450 0.02 1 1093 96 96 THR C C 176.828 0.2 1 1094 96 96 THR CA C 67.283 0.2 1 1095 96 96 THR CB C 68.866 0.2 1 1096 96 96 THR CG2 C 24.291 0.2 1 1097 96 96 THR N N 111.681 0.1 1 1098 97 97 MET H H 8.066 0.02 1 1099 97 97 MET HA H 4.505 0.02 1 1100 97 97 MET HB2 H 2.278 0.02 2 1101 97 97 MET HB3 H 2.078 0.02 2 1102 97 97 MET HG2 H 2.840 0.02 1 1103 97 97 MET HG3 H 2.840 0.02 1 1104 97 97 MET C C 178.421 0.2 1 1105 97 97 MET CA C 56.095 0.2 1 1106 97 97 MET CB C 28.972 0.2 1 1107 97 97 MET CG C 31.858 0.2 1 1108 97 97 MET N N 117.021 0.1 1 1109 98 98 LYS H H 7.676 0.02 1 1110 98 98 LYS HA H 3.885 0.02 1 1111 98 98 LYS HB2 H 1.755 0.02 1 1112 98 98 LYS HB3 H 1.755 0.02 1 1113 98 98 LYS HD2 H 1.539 0.02 1 1114 98 98 LYS HD3 H 1.539 0.02 1 1115 98 98 LYS HE2 H 2.982 0.02 1 1116 98 98 LYS HE3 H 2.982 0.02 1 1117 98 98 LYS HG2 H 1.391 0.02 2 1118 98 98 LYS HG3 H 1.140 0.02 2 1119 98 98 LYS C C 179.391 0.2 1 1120 98 98 LYS CA C 59.684 0.2 1 1121 98 98 LYS CB C 31.294 0.2 1 1122 98 98 LYS CD C 28.976 0.2 1 1123 98 98 LYS CE C 41.587 0.2 1 1124 98 98 LYS CG C 24.412 0.2 1 1125 98 98 LYS N N 119.804 0.1 1 1126 99 99 TYR H H 7.162 0.02 1 1127 99 99 TYR HA H 4.122 0.02 1 1128 99 99 TYR HB2 H 2.957 0.02 1 1129 99 99 TYR HB3 H 2.957 0.02 1 1130 99 99 TYR HD1 H 6.999 0.02 1 1131 99 99 TYR HD2 H 6.999 0.02 1 1132 99 99 TYR HE1 H 6.850 0.02 1 1133 99 99 TYR HE2 H 6.850 0.02 1 1134 99 99 TYR C C 177.636 0.2 1 1135 99 99 TYR CA C 61.795 0.2 1 1136 99 99 TYR CB C 38.470 0.2 1 1137 99 99 TYR CD1 C 130.736 0.2 1 1138 99 99 TYR CD2 C 130.736 0.2 1 1139 99 99 TYR CE1 C 118.713 0.2 1 1140 99 99 TYR CE2 C 118.713 0.2 1 1141 99 99 TYR N N 115.471 0.1 1 1142 100 100 ILE H H 7.562 0.02 1 1143 100 100 ILE HA H 3.708 0.02 1 1144 100 100 ILE HB H 2.006 0.02 1 1145 100 100 ILE HD1 H 0.860 0.02 1 1146 100 100 ILE HG12 H 1.124 0.02 1 1147 100 100 ILE HG13 H 1.124 0.02 1 1148 100 100 ILE HG2 H 0.839 0.02 1 1149 100 100 ILE C C 177.543 0.2 1 1150 100 100 ILE CA C 65.383 0.2 1 1151 100 100 ILE CB C 38.787 0.2 1 1152 100 100 ILE CD1 C 13.722 0.2 1 1153 100 100 ILE CG1 C 29.216 0.2 1 1154 100 100 ILE CG2 C 17.445 0.2 1 1155 100 100 ILE N N 119.754 0.1 1 1156 101 101 LEU H H 8.781 0.02 1 1157 101 101 LEU HA H 3.908 0.02 1 1158 101 101 LEU HB2 H 1.839 0.02 2 1159 101 101 LEU HB3 H 1.512 0.02 2 1160 101 101 LEU HD1 H 0.875 0.02 2 1161 101 101 LEU HD2 H 0.786 0.02 2 1162 101 101 LEU HG H 1.540 0.02 1 1163 101 101 LEU C C 179.529 0.2 1 1164 101 101 LEU CA C 57.045 0.2 1 1165 101 101 LEU CB C 40.581 0.2 1 1166 101 101 LEU CD1 C 24.772 0.2 1 1167 101 101 LEU CD2 C 22.490 0.2 1 1168 101 101 LEU CG C 26.814 0.2 1 1169 101 101 LEU N N 116.747 0.1 1 1170 102 102 ALA H H 7.351 0.02 1 1171 102 102 ALA HA H 4.238 0.02 1 1172 102 102 ALA HB H 1.554 0.02 1 1173 102 102 ALA C C 178.490 0.2 1 1174 102 102 ALA CA C 53.985 0.2 1 1175 102 102 ALA CB C 17.996 0.2 1 1176 102 102 ALA N N 121.524 0.1 1 1177 103 103 LEU H H 7.546 0.02 1 1178 103 103 LEU HA H 4.454 0.02 1 1179 103 103 LEU HB2 H 1.949 0.02 2 1180 103 103 LEU HB3 H 1.616 0.02 2 1181 103 103 LEU HD1 H 0.872 0.02 1 1182 103 103 LEU HD2 H 0.872 0.02 1 1183 103 103 LEU HG H 0.894 0.02 1 1184 103 103 LEU C C 177.451 0.2 1 1185 103 103 LEU CA C 54.407 0.2 1 1186 103 103 LEU CB C 42.375 0.2 1 1187 103 103 LEU CD1 C 22.490 0.2 1 1188 103 103 LEU CD2 C 22.490 0.2 1 1189 103 103 LEU CG C 26.453 0.2 1 1190 103 103 LEU N N 114.068 0.1 1 1191 104 104 LYS H H 7.675 0.02 1 1192 104 104 LYS HA H 3.724 0.02 1 1193 104 104 LYS HB2 H 1.896 0.02 1 1194 104 104 LYS HB3 H 1.896 0.02 1 1195 104 104 LYS HD2 H 1.721 0.02 1 1196 104 104 LYS HD3 H 1.721 0.02 1 1197 104 104 LYS HE2 H 2.916 0.02 1 1198 104 104 LYS HE3 H 2.916 0.02 1 1199 104 104 LYS HG2 H 1.518 0.02 2 1200 104 104 LYS HG3 H 1.409 0.02 2 1201 104 104 LYS C C 176.273 0.2 1 1202 104 104 LYS CA C 59.895 0.2 1 1203 104 104 LYS CB C 32.982 0.2 1 1204 104 104 LYS CD C 29.456 0.2 1 1205 104 104 LYS CE C 41.828 0.2 1 1206 104 104 LYS CG C 24.892 0.2 1 1207 104 104 LYS N N 118.317 0.1 1 1208 105 105 ASP H H 8.105 0.02 1 1209 105 105 ASP HA H 4.582 0.02 1 1210 105 105 ASP HB2 H 2.825 0.02 1 1211 105 105 ASP HB3 H 2.825 0.02 1 1212 105 105 ASP C C 175.534 0.2 1 1213 105 105 ASP CA C 54.407 0.2 1 1214 105 105 ASP CB C 39.842 0.2 1 1215 105 105 ASP N N 114.300 0.1 1 1216 106 106 GLN H H 8.030 0.02 1 1217 106 106 GLN HA H 4.226 0.02 1 1218 106 106 GLN HB2 H 2.077 0.02 1 1219 106 106 GLN HB3 H 2.077 0.02 1 1220 106 106 GLN HE21 H 6.581 0.02 2 1221 106 106 GLN HE22 H 6.553 0.02 2 1222 106 106 GLN HG2 H 2.356 0.02 1 1223 106 106 GLN HG3 H 2.356 0.02 1 1224 106 106 GLN C C 172.763 0.2 1 1225 106 106 GLN CA C 58.945 0.2 1 1226 106 106 GLN CB C 28.761 0.2 1 1227 106 106 GLN CG C 36.515 0.2 1 1228 106 106 GLN N N 120.357 0.1 1 1229 106 106 GLN NE2 N 109.527 0.1 1 1230 107 107 PRO HA H 4.497 0.02 1 1231 107 107 PRO HB2 H 2.661 0.02 2 1232 107 107 PRO HB3 H 2.187 0.02 2 1233 107 107 PRO HD2 H 3.908 0.02 2 1234 107 107 PRO HD3 H 3.621 0.02 2 1235 107 107 PRO HG2 H 2.235 0.02 1 1236 107 107 PRO HG3 H 2.235 0.02 1 1237 107 107 PRO C C 178.592 0.2 1 1238 107 107 PRO CA C 66.016 0.2 1 1239 107 107 PRO CB C 31.927 0.2 1 1240 107 107 PRO CD C 50.065 0.2 1 1241 107 107 PRO CG C 27.414 0.2 1 1242 108 108 GLU H H 8.707 0.02 1 1243 108 108 GLU HA H 4.150 0.02 1 1244 108 108 GLU HB2 H 2.142 0.02 1 1245 108 108 GLU HB3 H 2.142 0.02 1 1246 108 108 GLU HG2 H 2.380 0.02 1 1247 108 108 GLU HG3 H 2.380 0.02 1 1248 108 108 GLU C C 179.091 0.2 1 1249 108 108 GLU CA C 59.771 0.2 1 1250 108 108 GLU CB C 28.848 0.2 1 1251 108 108 GLU CG C 36.903 0.2 1 1252 108 108 GLU N N 116.739 0.1 1 1253 109 109 ALA H H 7.531 0.02 1 1254 109 109 ALA HA H 3.690 0.02 1 1255 109 109 ALA HB H 1.412 0.02 1 1256 109 109 ALA C C 179.021 0.2 1 1257 109 109 ALA CA C 54.618 0.2 1 1258 109 109 ALA CB C 18.629 0.2 1 1259 109 109 ALA N N 122.779 0.1 1 1260 110 110 ALA H H 8.590 0.02 1 1261 110 110 ALA HA H 3.969 0.02 1 1262 110 110 ALA HB H 1.654 0.02 1 1263 110 110 ALA C C 178.814 0.2 1 1264 110 110 ALA CA C 55.990 0.2 1 1265 110 110 ALA CB C 18.418 0.2 1 1266 110 110 ALA N N 119.942 0.1 1 1267 111 111 GLN H H 8.501 0.02 1 1268 111 111 GLN HA H 3.802 0.02 1 1269 111 111 GLN HB2 H 2.098 0.02 2 1270 111 111 GLN HB3 H 2.005 0.02 2 1271 111 111 GLN HE21 H 6.818 0.02 2 1272 111 111 GLN HE22 H 6.553 0.02 2 1273 111 111 GLN HG2 H 2.294 0.02 2 1274 111 111 GLN HG3 H 1.943 0.02 2 1275 111 111 GLN C C 177.590 0.2 1 1276 111 111 GLN CA C 59.473 0.2 1 1277 111 111 GLN CB C 27.811 0.2 1 1278 111 111 GLN CG C 34.020 0.2 1 1279 111 111 GLN N N 114.401 0.1 1 1280 111 111 GLN NE2 N 110.488 0.1 1 1281 112 112 LEU H H 7.534 0.02 1 1282 112 112 LEU HA H 4.223 0.02 1 1283 112 112 LEU HB2 H 2.051 0.02 2 1284 112 112 LEU HB3 H 1.711 0.02 2 1285 112 112 LEU HD1 H 0.786 0.02 2 1286 112 112 LEU HD2 H 1.063 0.02 2 1287 112 112 LEU HG H 2.082 0.02 1 1288 112 112 LEU C C 177.566 0.2 1 1289 112 112 LEU CA C 57.679 0.2 1 1290 112 112 LEU CB C 41.214 0.2 1 1291 112 112 LEU CD1 C 26.934 0.2 1 1292 112 112 LEU CD2 C 23.931 0.2 1 1293 112 112 LEU CG C 29.576 0.2 1 1294 112 112 LEU N N 119.989 0.1 1 1295 113 113 ALA H H 8.832 0.02 1 1296 113 113 ALA HA H 3.987 0.02 1 1297 113 113 ALA HB H 1.042 0.02 1 1298 113 113 ALA C C 180.268 0.2 1 1299 113 113 ALA CA C 55.146 0.2 1 1300 113 113 ALA CB C 17.996 0.2 1 1301 113 113 ALA N N 122.571 0.1 1 1302 114 114 LEU H H 7.696 0.02 1 1303 114 114 LEU HA H 4.154 0.02 1 1304 114 114 LEU HB2 H 1.779 0.02 2 1305 114 114 LEU HB3 H 1.248 0.02 2 1306 114 114 LEU HD1 H 0.784 0.02 2 1307 114 114 LEU HD2 H 0.176 0.02 2 1308 114 114 LEU HG H 1.274 0.02 1 1309 114 114 LEU C C 177.867 0.2 1 1310 114 114 LEU CA C 57.995 0.2 1 1311 114 114 LEU CB C 41.320 0.2 1 1312 114 114 LEU CD1 C 24.051 0.2 1 1313 114 114 LEU CD2 C 24.051 0.2 1 1314 114 114 LEU CG C 27.174 0.2 1 1315 114 114 LEU N N 116.756 0.1 1 1316 115 115 ARG H H 8.388 0.02 1 1317 115 115 ARG HA H 4.028 0.02 1 1318 115 115 ARG HB2 H 2.068 0.02 2 1319 115 115 ARG HB3 H 1.958 0.02 2 1320 115 115 ARG HD2 H 3.176 0.02 1 1321 115 115 ARG HD3 H 3.176 0.02 1 1322 115 115 ARG HG2 H 1.820 0.02 1 1323 115 115 ARG HG3 H 1.820 0.02 1 1324 115 115 ARG C C 179.899 0.2 1 1325 115 115 ARG CA C 61.161 0.2 1 1326 115 115 ARG CB C 30.660 0.2 1 1327 115 115 ARG CD C 43.149 0.2 1 1328 115 115 ARG CG C 29.096 0.2 1 1329 115 115 ARG N N 117.144 0.1 1 1330 116 116 VAL H H 9.485 0.02 1 1331 116 116 VAL HA H 3.618 0.02 1 1332 116 116 VAL HB H 2.255 0.02 1 1333 116 116 VAL HG1 H 1.152 0.02 2 1334 116 116 VAL HG2 H 0.814 0.02 2 1335 116 116 VAL C C 176.712 0.2 1 1336 116 116 VAL CA C 66.861 0.2 1 1337 116 116 VAL CB C 30.871 0.2 1 1338 116 116 VAL CG1 C 24.532 0.2 1 1339 116 116 VAL CG2 C 22.610 0.2 1 1340 116 116 VAL N N 120.616 0.1 1 1341 117 117 GLY H H 8.748 0.02 1 1342 117 117 GLY HA2 H 3.673 0.02 1 1343 117 117 GLY HA3 H 3.673 0.02 1 1344 117 117 GLY C C 175.234 0.2 1 1345 117 117 GLY CA C 47.652 0.2 1 1346 117 117 GLY N N 108.081 0.1 1 1347 118 118 ILE H H 8.375 0.02 1 1348 118 118 ILE HA H 3.501 0.02 1 1349 118 118 ILE HB H 1.882 0.02 1 1350 118 118 ILE HD1 H 0.657 0.02 1 1351 118 118 ILE HG12 H 1.933 0.02 2 1352 118 118 ILE HG13 H 0.893 0.02 2 1353 118 118 ILE HG2 H 0.928 0.02 1 1354 118 118 ILE C C 176.336 0.2 1 1355 118 118 ILE CA C 66.544 0.2 1 1356 118 118 ILE CB C 38.681 0.2 1 1357 118 118 ILE CD1 C 15.043 0.2 1 1358 118 118 ILE CG1 C 29.817 0.2 1 1359 118 118 ILE CG2 C 17.085 0.2 1 1360 118 118 ILE N N 119.265 0.1 1 1361 119 119 ALA H H 7.772 0.02 1 1362 119 119 ALA HA H 3.857 0.02 1 1363 119 119 ALA HB H 1.389 0.02 1 1364 119 119 ALA C C 180.499 0.2 1 1365 119 119 ALA CA C 55.040 0.2 1 1366 119 119 ALA CB C 17.573 0.2 1 1367 119 119 ALA N N 120.970 0.1 1 1368 120 120 VAL H H 8.602 0.02 1 1369 120 120 VAL HA H 3.480 0.02 1 1370 120 120 VAL HB H 2.059 0.02 1 1371 120 120 VAL HG1 H 0.976 0.02 2 1372 120 120 VAL HG2 H 0.880 0.02 2 1373 120 120 VAL C C 178.559 0.2 1 1374 120 120 VAL CA C 65.485 0.2 1 1375 120 120 VAL CB C 31.027 0.2 1 1376 120 120 VAL CG1 C 22.250 0.2 1 1377 120 120 VAL CG2 C 22.250 0.2 1 1378 120 120 VAL N N 116.018 0.1 1 1379 121 121 ALA H H 8.264 0.02 1 1380 121 121 ALA HA H 4.200 0.02 1 1381 121 121 ALA HB H 1.649 0.02 1 1382 121 121 ALA C C 177.613 0.2 1 1383 121 121 ALA CA C 54.723 0.2 1 1384 121 121 ALA CB C 19.684 0.2 1 1385 121 121 ALA N N 119.636 0.1 1 1386 122 122 LYS H H 8.126 0.02 1 1387 122 122 LYS HA H 4.186 0.02 1 1388 122 122 LYS HB2 H 1.570 0.02 2 1389 122 122 LYS HB3 H 1.410 0.02 2 1390 122 122 LYS HD2 H 1.245 0.02 1 1391 122 122 LYS HD3 H 1.245 0.02 1 1392 122 122 LYS HE2 H 2.572 0.02 1 1393 122 122 LYS HE3 H 2.572 0.02 1 1394 122 122 LYS HG2 H 0.947 0.02 2 1395 122 122 LYS HG3 H 0.690 0.02 2 1396 122 122 LYS C C 177.797 0.2 1 1397 122 122 LYS CA C 55.146 0.2 1 1398 122 122 LYS CB C 31.821 0.2 1 1399 122 122 LYS CD C 27.183 0.2 1 1400 122 122 LYS CE C 40.923 0.2 1 1401 122 122 LYS CG C 23.090 0.2 1 1402 122 122 LYS N N 115.130 0.1 1 1403 123 123 SER H H 7.405 0.02 1 1404 123 123 SER HA H 3.824 0.02 1 1405 123 123 SER HB2 H 3.477 0.02 2 1406 123 123 SER HB3 H 2.669 0.02 1 1407 123 123 SER C C 174.495 0.2 1 1408 123 123 SER CA C 61.161 0.2 1 1409 123 123 SER CB C 62.850 0.2 1 1410 123 123 SER N N 116.172 0.1 1 1411 124 124 ASP H H 8.072 0.02 1 1412 124 124 ASP HA H 4.677 0.02 1 1413 124 124 ASP HB2 H 2.862 0.02 2 1414 124 124 ASP HB3 H 2.724 0.02 2 1415 124 124 ASP C C 176.458 0.2 1 1416 124 124 ASP CA C 53.563 0.2 1 1417 124 124 ASP CB C 41.063 0.2 1 1418 124 124 ASP N N 118.973 0.1 1 1419 125 125 GLY H H 7.914 0.02 1 1420 125 125 GLY HA2 H 4.069 0.02 2 1421 125 125 GLY HA3 H 3.857 0.02 2 1422 125 125 GLY C C 172.809 0.2 1 1423 125 125 GLY CA C 44.908 0.2 1 1424 125 125 GLY N N 107.545 0.1 1 1425 126 126 ASN H H 8.147 0.02 1 1426 126 126 ASN HA H 4.805 0.02 1 1427 126 126 ASN HB2 H 2.800 0.02 2 1428 126 126 ASN HB3 H 2.673 0.02 2 1429 126 126 ASN HD21 H 7.631 0.02 2 1430 126 126 ASN HD22 H 6.877 0.02 2 1431 126 126 ASN C C 174.403 0.2 1 1432 126 126 ASN CA C 52.085 0.2 1 1433 126 126 ASN CB C 40.159 0.2 1 1434 126 126 ASN N N 118.015 0.1 1 1435 126 126 ASN ND2 N 114.068 0.1 1 1436 127 127 PHE H H 8.490 0.02 1 1437 127 127 PHE HA H 5.146 0.02 1 1438 127 127 PHE HB2 H 3.351 0.02 2 1439 127 127 PHE HB3 H 2.910 0.02 2 1440 127 127 PHE HD1 H 7.274 0.02 1 1441 127 127 PHE HD2 H 7.274 0.02 1 1442 127 127 PHE HE1 H 7.150 0.02 1 1443 127 127 PHE HE2 H 7.150 0.02 1 1444 127 127 PHE HZ H 7.190 0.02 1 1445 127 127 PHE C C 176.296 0.2 1 1446 127 127 PHE CA C 55.884 0.2 1 1447 127 127 PHE CB C 40.687 0.2 1 1448 127 127 PHE CD1 C 129.593 0.2 1 1449 127 127 PHE CD2 C 129.593 0.2 1 1450 127 127 PHE CE1 C 131.031 0.2 1 1451 127 127 PHE CE2 C 131.031 0.2 1 1452 127 127 PHE CZ C 130.835 0.2 1 1453 127 127 PHE N N 121.794 0.1 1 1454 128 128 ASP H H 9.229 0.02 1 1455 128 128 ASP HA H 4.846 0.02 1 1456 128 128 ASP HB2 H 3.251 0.02 2 1457 128 128 ASP HB3 H 2.795 0.02 2 1458 128 128 ASP C C 176.574 0.2 1 1459 128 128 ASP CA C 52.296 0.2 1 1460 128 128 ASP CB C 40.898 0.2 1 1461 128 128 ASP N N 124.246 0.1 1 1462 129 129 ASP H H 8.547 0.02 1 1463 129 129 ASP HA H 4.366 0.02 1 1464 129 129 ASP HB2 H 2.707 0.02 2 1465 129 129 ASP HB3 H 2.675 0.02 2 1466 129 129 ASP C C 179.091 0.2 1 1467 129 129 ASP CA C 58.417 0.2 1 1468 129 129 ASP CB C 40.687 0.2 1 1469 129 129 ASP N N 117.303 0.1 1 1470 130 130 ASP H H 8.361 0.02 1 1471 130 130 ASP HA H 4.509 0.02 1 1472 130 130 ASP HB2 H 2.778 0.02 2 1473 130 130 ASP HB3 H 2.605 0.02 2 1474 130 130 ASP C C 179.506 0.2 1 1475 130 130 ASP CA C 57.784 0.2 1 1476 130 130 ASP CB C 40.053 0.2 1 1477 130 130 ASP N N 121.629 0.1 1 1478 131 131 GLU H H 8.810 0.02 1 1479 131 131 GLU HA H 4.069 0.02 1 1480 131 131 GLU HB2 H 2.072 0.02 2 1481 131 131 GLU HB3 H 1.994 0.02 2 1482 131 131 GLU HG2 H 2.292 0.02 1 1483 131 131 GLU HG3 H 2.292 0.02 1 1484 131 131 GLU C C 178.606 0.2 1 1485 131 131 GLU CA C 59.578 0.2 1 1486 131 131 GLU CB C 28.972 0.2 1 1487 131 131 GLU CG C 35.702 0.2 1 1488 131 131 GLU N N 124.222 0.1 1 1489 132 132 LYS H H 7.985 0.02 1 1490 132 132 LYS HA H 4.074 0.02 1 1491 132 132 LYS HB2 H 2.142 0.02 1 1492 132 132 LYS HB3 H 2.142 0.02 1 1493 132 132 LYS HD2 H 1.776 0.02 2 1494 132 132 LYS HD3 H 1.594 0.02 2 1495 132 132 LYS HE2 H 3.238 0.02 1 1496 132 132 LYS HE3 H 3.238 0.02 1 1497 132 132 LYS HG2 H 0.902 0.02 1 1498 132 132 LYS HG3 H 0.902 0.02 1 1499 132 132 LYS C C 179.275 0.2 1 1500 132 132 LYS CA C 59.156 0.2 1 1501 132 132 LYS CB C 29.077 0.2 1 1502 132 132 LYS CD C 27.114 0.2 1 1503 132 132 LYS CE C 43.178 0.2 1 1504 132 132 LYS CG C 25.493 0.2 1 1505 132 132 LYS N N 119.331 0.1 1 1506 133 133 SER H H 8.319 0.02 1 1507 133 133 SER HA H 4.137 0.02 1 1508 133 133 SER HB2 H 4.020 0.02 1 1509 133 133 SER HB3 H 4.020 0.02 1 1510 133 133 SER C C 177.844 0.2 1 1511 133 133 SER CA C 61.900 0.2 1 1512 133 133 SER CB C 63.483 0.2 1 1513 133 133 SER N N 120.756 0.1 1 1514 134 134 ALA H H 7.807 0.02 1 1515 134 134 ALA HA H 4.099 0.02 1 1516 134 134 ALA HB H 1.464 0.02 1 1517 134 134 ALA C C 179.252 0.2 1 1518 134 134 ALA CA C 55.462 0.2 1 1519 134 134 ALA CB C 18.207 0.2 1 1520 134 134 ALA N N 124.208 0.1 1 1521 135 135 VAL H H 7.966 0.02 1 1522 135 135 VAL HA H 3.364 0.02 1 1523 135 135 VAL HB H 2.129 0.02 1 1524 135 135 VAL HG1 H 0.888 0.02 2 1525 135 135 VAL HG2 H 0.856 0.02 2 1526 135 135 VAL C C 177.543 0.2 1 1527 135 135 VAL CA C 67.177 0.2 1 1528 135 135 VAL CB C 30.871 0.2 1 1529 135 135 VAL CG1 C 23.331 0.2 1 1530 135 135 VAL CG2 C 22.370 0.2 1 1531 135 135 VAL N N 116.931 0.1 1 1532 136 136 ARG H H 8.404 0.02 1 1533 136 136 ARG HA H 3.743 0.02 1 1534 136 136 ARG HB2 H 1.934 0.02 1 1535 136 136 ARG HB3 H 1.934 0.02 1 1536 136 136 ARG HD2 H 3.245 0.02 1 1537 136 136 ARG HD3 H 3.245 0.02 1 1538 136 136 ARG HG2 H 1.578 0.02 1 1539 136 136 ARG HG3 H 1.578 0.02 1 1540 136 136 ARG C C 177.797 0.2 1 1541 136 136 ARG CA C 61.056 0.2 1 1542 136 136 ARG CB C 30.344 0.2 1 1543 136 136 ARG CD C 43.029 0.2 1 1544 136 136 ARG CG C 27.414 0.2 1 1545 136 136 ARG N N 119.229 0.1 1 1546 137 137 GLU H H 7.967 0.02 1 1547 137 137 GLU HA H 4.067 0.02 1 1548 137 137 GLU HB2 H 2.146 0.02 1 1549 137 137 GLU HB3 H 2.146 0.02 1 1550 137 137 GLU HG2 H 2.356 0.02 1 1551 137 137 GLU HG3 H 2.356 0.02 1 1552 137 137 GLU C C 179.830 0.2 1 1553 137 137 GLU CA C 59.156 0.2 1 1554 137 137 GLU CB C 29.288 0.2 1 1555 137 137 GLU CG C 35.942 0.2 1 1556 137 137 GLU N N 118.287 0.1 1 1557 138 138 ILE H H 8.268 0.02 1 1558 138 138 ILE C C 177.497 0.2 1 1559 138 138 ILE CA C 66.216 0.2 1 1560 138 138 ILE CB C 38.470 0.2 1 1561 138 138 ILE CD1 C 15.643 0.2 1 1562 138 138 ILE CG1 C 28.135 0.2 1 1563 138 138 ILE CG2 C 19.847 0.2 1 1564 138 138 ILE N N 120.854 0.1 1 1565 139 139 ALA H H 8.635 0.02 1 1566 139 139 ALA HA H 3.710 0.02 1 1567 139 139 ALA HB H 1.283 0.02 1 1568 139 139 ALA C C 179.114 0.2 1 1569 139 139 ALA CA C 55.990 0.2 1 1570 139 139 ALA CB C 17.066 0.2 1 1571 139 139 ALA N N 120.191 0.1 1 1572 140 140 ARG H H 8.450 0.02 1 1573 140 140 ARG HA H 4.296 0.02 1 1574 140 140 ARG HB2 H 1.960 0.02 1 1575 140 140 ARG HB3 H 1.960 0.02 1 1576 140 140 ARG HD2 H 3.262 0.02 1 1577 140 140 ARG HD3 H 3.262 0.02 1 1578 140 140 ARG HG2 H 1.736 0.02 1 1579 140 140 ARG HG3 H 1.736 0.02 1 1580 140 140 ARG C C 181.007 0.2 1 1581 140 140 ARG CA C 59.473 0.2 1 1582 140 140 ARG CB C 29.816 0.2 1 1583 140 140 ARG CD C 43.029 0.2 1 1584 140 140 ARG CG C 27.534 0.2 1 1585 140 140 ARG N N 115.846 0.1 1 1586 141 141 SER H H 8.262 0.02 1 1587 141 141 SER HA H 4.108 0.02 1 1588 141 141 SER HB2 H 3.937 0.02 1 1589 141 141 SER HB3 H 3.937 0.02 1 1590 141 141 SER C C 174.541 0.2 1 1591 141 141 SER CA C 58.978 0.2 1 1592 141 141 SER CB C 63.255 0.2 1 1593 141 141 SER N N 118.138 0.1 1 1594 142 142 LEU H H 7.420 0.02 1 1595 142 142 LEU HA H 3.947 0.02 1 1596 142 142 LEU HB2 H 1.509 0.02 2 1597 142 142 LEU HB3 H 1.091 0.02 2 1598 142 142 LEU HD1 H 0.730 0.02 1 1599 142 142 LEU HD2 H 0.730 0.02 1 1600 142 142 LEU HG H 0.701 0.02 1 1601 142 142 LEU C C 175.234 0.2 1 1602 142 142 LEU CA C 54.512 0.2 1 1603 142 142 LEU CB C 43.536 0.2 1 1604 142 142 LEU CD1 C 22.490 0.2 1 1605 142 142 LEU CD2 C 22.490 0.2 1 1606 142 142 LEU CG C 25.493 0.2 1 1607 142 142 LEU N N 119.471 0.1 1 1608 143 143 GLY H H 7.680 0.02 1 1609 143 143 GLY HA2 H 4.049 0.02 2 1610 143 143 GLY HA3 H 3.698 0.02 2 1611 143 143 GLY C C 174.495 0.2 1 1612 143 143 GLY CA C 44.697 0.2 1 1613 143 143 GLY N N 105.484 0.1 1 1614 144 144 PHE H H 8.129 0.02 1 1615 144 144 PHE HA H 5.132 0.02 1 1616 144 144 PHE HB2 H 3.415 0.02 2 1617 144 144 PHE HB3 H 2.670 0.02 2 1618 144 144 PHE HD1 H 7.119 0.02 1 1619 144 144 PHE HD2 H 7.119 0.02 1 1620 144 144 PHE HE1 H 7.260 0.02 1 1621 144 144 PHE HE2 H 7.260 0.02 1 1622 144 144 PHE HZ H 7.192 0.02 1 1623 144 144 PHE C C 174.722 0.2 1 1624 144 144 PHE CA C 53.985 0.2 1 1625 144 144 PHE CB C 41.003 0.2 1 1626 144 144 PHE CD1 C 131.024 0.2 1 1627 144 144 PHE CD2 C 131.024 0.2 1 1628 144 144 PHE CE1 C 129.039 0.2 1 1629 144 144 PHE CE2 C 129.039 0.2 1 1630 144 144 PHE CZ C 130.835 0.2 1 1631 144 144 PHE N N 119.024 0.1 1 1632 145 145 ASP H H 8.986 0.02 1 1633 145 145 ASP HA H 4.955 0.02 1 1634 145 145 ASP HB2 H 3.015 0.02 2 1635 145 145 ASP HB3 H 2.751 0.02 2 1636 145 145 ASP C C 176.574 0.2 1 1637 145 145 ASP CA C 50.818 0.2 1 1638 145 145 ASP CB C 41.953 0.2 1 1639 145 145 ASP N N 122.365 0.1 1 1640 146 146 PRO HA H 4.218 0.02 1 1641 146 146 PRO HB2 H 2.160 0.02 1 1642 146 146 PRO HB3 H 2.160 0.02 1 1643 146 146 PRO HD2 H 4.248 0.02 2 1644 146 146 PRO HD3 H 4.101 0.02 2 1645 146 146 PRO HG2 H 2.266 0.02 2 1646 146 146 PRO HG3 H 2.064 0.02 2 1647 146 146 PRO C C 177.602 0.2 1 1648 146 146 PRO CA C 64.649 0.2 1 1649 146 146 PRO CB C 32.099 0.2 1 1650 146 146 PRO CD C 50.476 0.2 1 1651 146 146 PRO CG C 27.534 0.2 1 1652 147 147 ALA H H 8.768 0.02 1 1653 147 147 ALA HA H 4.164 0.02 1 1654 147 147 ALA HB H 1.439 0.02 1 1655 147 147 ALA C C 180.569 0.2 1 1656 147 147 ALA CA C 54.618 0.2 1 1657 147 147 ALA CB C 18.312 0.2 1 1658 147 147 ALA N N 120.224 0.1 1 1659 148 148 GLU H H 8.066 0.02 1 1660 148 148 GLU HA H 3.993 0.02 1 1661 148 148 GLU HB2 H 1.820 0.02 2 1662 148 148 GLU HB3 H 1.675 0.02 2 1663 148 148 GLU HG2 H 2.107 0.02 1 1664 148 148 GLU HG3 H 2.107 0.02 1 1665 148 148 GLU C C 178.421 0.2 1 1666 148 148 GLU CA C 57.679 0.2 1 1667 148 148 GLU CB C 28.972 0.2 1 1668 148 148 GLU CG C 36.423 0.2 1 1669 148 148 GLU N N 117.021 0.1 1 1670 149 149 PHE H H 7.572 0.02 1 1671 149 149 PHE HA H 4.495 0.02 1 1672 149 149 PHE HB2 H 3.374 0.02 2 1673 149 149 PHE HB3 H 2.602 0.02 2 1674 149 149 PHE HD1 H 7.108 0.02 1 1675 149 149 PHE HD2 H 7.108 0.02 1 1676 149 149 PHE HE1 H 7.138 0.02 1 1677 149 149 PHE HE2 H 7.138 0.02 1 1678 149 149 PHE HZ H 7.122 0.02 1 1679 149 149 PHE C C 175.234 0.2 1 1680 149 149 PHE CA C 57.468 0.2 1 1681 149 149 PHE CB C 38.787 0.2 1 1682 149 149 PHE CD1 C 130.966 0.2 1 1683 149 149 PHE CD2 C 130.966 0.2 1 1684 149 149 PHE CE1 C 131.053 0.2 1 1685 149 149 PHE CE2 C 131.053 0.2 1 1686 149 149 PHE CZ C 131.070 0.2 1 1687 149 149 PHE N N 116.286 0.1 1 1688 150 150 GLY H H 7.686 0.02 1 1689 150 150 GLY HA2 H 4.074 0.02 2 1690 150 150 GLY HA3 H 3.853 0.02 2 1691 150 150 GLY C C 174.541 0.2 1 1692 150 150 GLY CA C 46.069 0.2 1 1693 150 150 GLY N N 106.405 0.1 1 1694 151 151 LEU H H 7.420 0.02 1 1695 151 151 LEU HA H 4.478 0.02 1 1696 151 151 LEU HB2 H 1.554 0.02 1 1697 151 151 LEU HB3 H 1.554 0.02 1 1698 151 151 LEU HD1 H 0.880 0.02 2 1699 151 151 LEU HD2 H 0.861 0.02 2 1700 151 151 LEU HG H 1.610 0.02 1 1701 151 151 LEU C C 176.004 0.2 1 1702 151 151 LEU CA C 54.512 0.2 1 1703 151 151 LEU CB C 41.742 0.2 1 1704 151 151 LEU CD1 C 25.457 0.2 1 1705 151 151 LEU CD2 C 23.342 0.2 1 1706 151 151 LEU CG C 26.744 0.2 1 1707 151 151 LEU N N 119.471 0.1 1 1708 152 152 LEU H H 8.157 0.02 1 1709 152 152 LEU HA H 4.345 0.02 1 1710 152 152 LEU HB2 H 1.560 0.02 1 1711 152 152 LEU HB3 H 1.560 0.02 1 1712 152 152 LEU HD1 H 0.902 0.02 2 1713 152 152 LEU HD2 H 0.830 0.02 2 1714 152 152 LEU HG H 1.528 0.02 1 1715 152 152 LEU C C 176.833 0.2 1 1716 152 152 LEU CA C 54.423 0.2 1 1717 152 152 LEU CB C 42.036 0.2 1 1718 152 152 LEU CD1 C 24.598 0.2 1 1719 152 152 LEU CD2 C 23.205 0.2 1 1720 152 152 LEU CG C 26.898 0.2 1 1721 152 152 LEU N N 121.977 0.1 1 1722 153 153 GLU H H 8.426 0.02 1 1723 153 153 GLU HA H 4.248 0.02 1 1724 153 153 GLU HB2 H 1.892 0.02 1 1725 153 153 GLU HB3 H 1.892 0.02 1 1726 153 153 GLU HG2 H 2.182 0.02 1 1727 153 153 GLU HG3 H 2.182 0.02 1 1728 153 153 GLU C C 175.914 0.2 1 1729 153 153 GLU CA C 55.812 0.2 1 1730 153 153 GLU CB C 30.163 0.2 1 1731 153 153 GLU CG C 35.843 0.2 1 1732 153 153 GLU N N 121.943 0.1 1 stop_ save_