data_18277 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of KmAtg10 ; _BMRB_accession_number 18277 _BMRB_flat_file_name bmr18277.str _Entry_type original _Submission_date 2012-02-19 _Accession_date 2012-02-19 _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 Yamaguchi Masaya . . 2 Noda Nobuo N. . 3 Yamamoto Hayashi . . 4 Shima Takayuki . . 5 Kumeta Hiroyuki . . 6 Kobashigawa Yoshihiro . . 7 Akada Rinji . . 8 Ohsumi Yoshinori . . 9 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 909 "13C chemical shifts" 688 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-12 update BMRB 'update entry citation' 2012-06-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insights into Atg10-mediated formation of the autophagy-essential Atg12-Atg5 conjugate.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22682742 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yamaguchi Masaya . . 2 Noda Nobuo N. . 3 Yamamoto Hayashi . . 4 Shima Takayuki . . 5 Kumeta Hiroyuki . . 6 Kobashigawa Yoshihiro . . 7 Akada Rinji . . 8 Ohsumi Yoshinori . . 9 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 20 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1244 _Page_last 1254 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KmAtg10 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KmAtg10 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 17413.861 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; SMLTLPEYNEQIPNVRSLLT KWAKVERIQDVQDGLQLDVR LKTDTLLELHIYYDHVYHVP SIKFRLWSLDTEEDISSLRL LTLSDSELRSILNLGTFSVT LSTDMEMKSVYYYINNCDTD ANVGSDVEHYLTRWISLYIR IFDLNFVP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 SER 2 1 MET 3 2 LEU 4 3 THR 5 4 LEU 6 5 PRO 7 6 GLU 8 7 TYR 9 8 ASN 10 9 GLU 11 10 GLN 12 11 ILE 13 12 PRO 14 13 ASN 15 14 VAL 16 15 ARG 17 16 SER 18 17 LEU 19 18 LEU 20 19 THR 21 20 LYS 22 21 TRP 23 22 ALA 24 23 LYS 25 24 VAL 26 25 GLU 27 26 ARG 28 27 ILE 29 28 GLN 30 29 ASP 31 30 VAL 32 31 GLN 33 32 ASP 34 33 GLY 35 34 LEU 36 35 GLN 37 36 LEU 38 37 ASP 39 38 VAL 40 39 ARG 41 40 LEU 42 41 LYS 43 42 THR 44 43 ASP 45 44 THR 46 45 LEU 47 46 LEU 48 47 GLU 49 48 LEU 50 49 HIS 51 50 ILE 52 51 TYR 53 52 TYR 54 53 ASP 55 54 HIS 56 55 VAL 57 56 TYR 58 57 HIS 59 58 VAL 60 59 PRO 61 60 SER 62 61 ILE 63 62 LYS 64 63 PHE 65 64 ARG 66 65 LEU 67 66 TRP 68 67 SER 69 68 LEU 70 69 ASP 71 70 THR 72 71 GLU 73 72 GLU 74 73 ASP 75 74 ILE 76 75 SER 77 76 SER 78 77 LEU 79 78 ARG 80 79 LEU 81 80 LEU 82 81 THR 83 82 LEU 84 83 SER 85 84 ASP 86 85 SER 87 86 GLU 88 87 LEU 89 88 ARG 90 89 SER 91 90 ILE 92 91 LEU 93 92 ASN 94 93 LEU 95 94 GLY 96 95 THR 97 96 PHE 98 97 SER 99 98 VAL 100 99 THR 101 100 LEU 102 101 SER 103 102 THR 104 103 ASP 105 104 MET 106 105 GLU 107 106 MET 108 107 LYS 109 108 SER 110 109 VAL 111 110 TYR 112 111 TYR 113 112 TYR 114 113 ILE 115 114 ASN 116 115 ASN 117 116 CYS 118 117 ASP 119 118 THR 120 119 ASP 121 120 ALA 122 121 ASN 123 122 VAL 124 123 GLY 125 124 SER 126 125 ASP 127 126 VAL 128 127 GLU 129 128 HIS 130 129 TYR 131 130 LEU 132 131 THR 133 132 ARG 134 133 TRP 135 134 ILE 136 135 SER 137 136 LEU 138 137 TYR 139 138 ILE 140 139 ARG 141 140 ILE 142 141 PHE 143 142 ASP 144 143 LEU 145 144 ASN 146 145 PHE 147 146 VAL 148 147 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2LPU "Solution Structures Of Kmatg10" 100.00 152 100.00 100.00 5.41e-101 PDB 3VX7 "Crystal Structure Of Kluyveromyces Marxianus Atg7ntd-Atg10 Complex" 100.00 152 100.00 100.00 4.49e-101 DBJ BAO42720 "autophagy-related protein 10 [Kluyveromyces marxianus DMKU3-1042]" 99.32 147 100.00 100.00 1.16e-100 DBJ BAP74090 "autophagy-related protein 10 [Kluyveromyces marxianus]" 99.32 147 99.32 99.32 8.00e-100 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity ascomycetes 4911 Eukaryota Fungi Kluyveromyces marxianus 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 $entity 'recombinant technology' . Escherichia coli BL21 DE3 pGEX6p stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2010.176.13.55 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' refinement stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version 1.01 loop_ _Vendor _Address _Electronic_address 'Shen, Delaglio, Cornilescu, Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model 'Unity INOVA' _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model 'Unity INOVA' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C_15N save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $13C_15N save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $13C_15N save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $13C_15N save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C_15N save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C_15N save_ save_3D_HN(CA)HA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $13C_15N save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_15N save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C_15N save_ save_3D_HCCH-TOCSY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aliphatic' _Sample_label $13C_15N save_ save_2D_HbCbCgCdHd_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HbCbCgCdHd' _Sample_label $13C_15N save_ save_2D_HbCbCgCdCeHe_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HbCbCgCdCeHe' _Sample_label $13C_15N save_ save_3D_HCCH-TOCSY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aromatic' _Sample_label $13C_15N save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C_15N save_ save_3D_1H-13C_NOESY_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $13C_15N save_ save_3D_1H-13C_NOESY_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13C_15N 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' 150 . mM pH 6.8 . 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $13C_15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name KmAtg10 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 0 1 SER HA H 4.535 0.000 1 2 0 1 SER HB2 H 3.884 0.000 2 3 0 1 SER HB3 H 3.884 0.000 2 4 0 1 SER H H 8.214 0.000 1 5 0 1 SER C C 174.044 0.000 1 6 0 1 SER CA C 58.191 0.000 1 7 0 1 SER CB C 64.225 0.000 1 8 0 1 SER N N 115.612 0.000 1 9 1 2 MET H H 8.431 0.000 1 10 1 2 MET HA H 4.581 0.000 1 11 1 2 MET HB2 H 1.982 0.000 2 12 1 2 MET HB3 H 2.063 0.000 2 13 1 2 MET HG2 H 2.504 0.000 2 14 1 2 MET HG3 H 2.504 0.000 2 15 1 2 MET C C 175.184 0.000 1 16 1 2 MET CA C 55.447 0.000 1 17 1 2 MET CB C 34.107 0.006 1 18 1 2 MET CG C 31.824 0.000 1 19 1 2 MET N N 121.461 0.000 1 20 2 3 LEU H H 8.678 0.000 1 21 2 3 LEU HA H 4.470 0.000 1 22 2 3 LEU HB2 H 1.856 0.000 2 23 2 3 LEU HB3 H 2.098 0.000 2 24 2 3 LEU HG H 1.519 0.000 1 25 2 3 LEU HD1 H 0.641 0.000 . 26 2 3 LEU HD2 H 0.730 0.000 . 27 2 3 LEU C C 176.479 0.000 1 28 2 3 LEU CA C 54.544 0.000 1 29 2 3 LEU CB C 43.200 0.002 1 30 2 3 LEU CG C 26.438 0.000 1 31 2 3 LEU CD1 C 26.390 0.000 2 32 2 3 LEU CD2 C 25.198 0.000 2 33 2 3 LEU N N 123.575 0.000 1 34 3 4 THR H H 8.541 0.000 1 35 3 4 THR HA H 4.398 0.000 1 36 3 4 THR HB H 4.461 0.000 1 37 3 4 THR HG2 H 1.293 0.000 . 38 3 4 THR C C 173.920 0.000 1 39 3 4 THR CA C 61.025 0.000 1 40 3 4 THR CB C 71.090 0.000 1 41 3 4 THR CG2 C 21.917 0.000 1 42 3 4 THR N N 119.326 0.000 1 43 4 5 LEU H H 8.777 0.000 1 44 4 5 LEU HA H 3.288 0.000 1 45 4 5 LEU HB2 H 0.934 0.000 2 46 4 5 LEU HB3 H 1.824 0.000 2 47 4 5 LEU HG H 1.370 0.000 1 48 4 5 LEU HD1 H 0.399 0.000 . 49 4 5 LEU HD2 H 0.896 0.000 . 50 4 5 LEU CA C 59.092 0.000 1 51 4 5 LEU CB C 38.806 0.002 1 52 4 5 LEU CG C 26.835 0.000 1 53 4 5 LEU CD1 C 23.002 0.000 2 54 4 5 LEU CD2 C 25.895 0.000 2 55 4 5 LEU N N 122.107 0.000 1 56 5 6 PRO HA H 4.346 0.000 1 57 5 6 PRO HB2 H 2.329 0.000 2 58 5 6 PRO HB3 H 1.767 0.000 2 59 5 6 PRO HG2 H 1.919 0.000 2 60 5 6 PRO HG3 H 2.106 0.000 2 61 5 6 PRO HD2 H 3.750 0.000 2 62 5 6 PRO HD3 H 3.750 0.000 2 63 5 6 PRO C C 179.812 0.000 1 64 5 6 PRO CA C 66.260 0.000 1 65 5 6 PRO CB C 31.059 0.003 1 66 5 6 PRO CG C 28.467 0.003 1 67 5 6 PRO CD C 49.458 0.000 1 68 6 7 GLU H H 7.088 0.000 1 69 6 7 GLU HA H 4.026 0.000 1 70 6 7 GLU HB2 H 1.876 0.000 2 71 6 7 GLU HB3 H 2.214 0.000 2 72 6 7 GLU HG2 H 2.172 0.000 2 73 6 7 GLU HG3 H 2.246 0.000 2 74 6 7 GLU C C 178.359 0.000 1 75 6 7 GLU CA C 59.103 0.000 1 76 6 7 GLU CB C 30.270 0.002 1 77 6 7 GLU CG C 37.043 0.002 1 78 6 7 GLU N N 117.744 0.000 1 79 7 8 TYR H H 8.310 0.000 1 80 7 8 TYR HA H 3.895 0.000 1 81 7 8 TYR HB2 H 2.564 0.000 2 82 7 8 TYR HB3 H 3.144 0.000 2 83 7 8 TYR HD1 H 6.750 0.015 3 84 7 8 TYR HD2 H 6.750 0.015 3 85 7 8 TYR HE1 H 6.423 0.003 3 86 7 8 TYR HE2 H 6.423 0.003 3 87 7 8 TYR C C 176.641 0.000 1 88 7 8 TYR CA C 61.519 0.000 1 89 7 8 TYR CB C 37.727 0.022 1 90 7 8 TYR CD1 C 132.810 0.000 3 91 7 8 TYR CE1 C 117.387 0.000 3 92 7 8 TYR N N 120.825 0.000 1 93 8 9 ASN H H 8.791 0.000 1 94 8 9 ASN HA H 4.318 0.000 1 95 8 9 ASN HB2 H 2.639 0.000 2 96 8 9 ASN HB3 H 2.777 0.000 2 97 8 9 ASN HD21 H 7.335 0.000 2 98 8 9 ASN HD22 H 7.154 0.001 2 99 8 9 ASN C C 179.060 0.000 1 100 8 9 ASN CA C 55.774 0.000 1 101 8 9 ASN CB C 38.309 0.003 1 102 8 9 ASN CG C 175.010 0.020 1 103 8 9 ASN N N 118.086 0.000 1 104 8 9 ASN ND2 N 110.886 0.012 1 105 9 10 GLU H H 8.013 0.000 1 106 9 10 GLU HA H 4.113 0.000 1 107 9 10 GLU HB2 H 2.184 0.000 2 108 9 10 GLU HB3 H 2.255 0.000 2 109 9 10 GLU HG2 H 2.413 0.000 2 110 9 10 GLU HG3 H 2.413 0.000 2 111 9 10 GLU C C 177.853 0.000 1 112 9 10 GLU CA C 58.506 0.000 1 113 9 10 GLU CB C 29.641 0.002 1 114 9 10 GLU CG C 36.309 0.000 1 115 9 10 GLU N N 120.057 0.000 1 116 10 11 GLN H H 7.488 0.000 1 117 10 11 GLN HA H 4.450 0.000 1 118 10 11 GLN HB2 H 1.855 0.000 2 119 10 11 GLN HB3 H 2.515 0.000 2 120 10 11 GLN HG2 H 2.359 0.000 2 121 10 11 GLN HG3 H 2.811 0.000 2 122 10 11 GLN HE21 H 7.902 0.001 2 123 10 11 GLN HE22 H 7.249 0.001 2 124 10 11 GLN C C 177.470 0.000 1 125 10 11 GLN CA C 56.997 0.000 1 126 10 11 GLN CB C 30.725 0.008 1 127 10 11 GLN CG C 34.825 0.004 1 128 10 11 GLN CD C 179.569 0.005 1 129 10 11 GLN N N 116.468 0.000 1 130 10 11 GLN NE2 N 113.572 0.004 1 131 11 12 ILE H H 7.605 0.000 1 132 11 12 ILE HA H 3.828 0.000 1 133 11 12 ILE HB H 2.153 0.000 1 134 11 12 ILE HG12 H 0.876 0.000 2 135 11 12 ILE HG13 H 1.045 0.000 2 136 11 12 ILE HG2 H 0.843 0.000 . 137 11 12 ILE HD1 H 0.457 0.000 . 138 11 12 ILE CA C 63.506 0.000 1 139 11 12 ILE CB C 34.258 0.000 1 140 11 12 ILE CG1 C 27.370 0.002 1 141 11 12 ILE CG2 C 17.029 0.000 1 142 11 12 ILE CD1 C 8.792 0.000 1 143 11 12 ILE N N 124.393 0.000 1 144 12 13 PRO HA H 4.237 0.000 1 145 12 13 PRO HB2 H 2.392 0.000 2 146 12 13 PRO HB3 H 1.837 0.000 2 147 12 13 PRO HG2 H 1.951 0.000 2 148 12 13 PRO HG3 H 2.142 0.000 2 149 12 13 PRO HD2 H 3.543 0.000 2 150 12 13 PRO HD3 H 3.708 0.000 2 151 12 13 PRO C C 179.113 0.000 1 152 12 13 PRO CA C 66.427 0.000 1 153 12 13 PRO CB C 31.077 0.002 1 154 12 13 PRO CG C 28.478 0.006 1 155 12 13 PRO CD C 50.427 0.000 1 156 13 14 ASN H H 7.793 0.000 1 157 13 14 ASN HA H 4.592 0.000 1 158 13 14 ASN HB2 H 2.906 0.000 2 159 13 14 ASN HB3 H 3.085 0.000 2 160 13 14 ASN HD21 H 7.710 0.002 2 161 13 14 ASN HD22 H 7.194 0.001 2 162 13 14 ASN C C 178.208 0.000 1 163 13 14 ASN CA C 55.791 0.000 1 164 13 14 ASN CB C 38.044 0.004 1 165 13 14 ASN N N 115.499 0.000 1 166 13 14 ASN ND2 N 113.063 0.000 1 167 14 15 VAL H H 7.704 0.000 1 168 14 15 VAL HA H 3.700 0.000 1 169 14 15 VAL HB H 2.443 0.000 1 170 14 15 VAL HG1 H 1.013 0.000 . 171 14 15 VAL HG2 H 1.139 0.000 . 172 14 15 VAL C C 176.999 0.000 1 173 14 15 VAL CA C 66.544 0.000 1 174 14 15 VAL CB C 31.425 0.000 1 175 14 15 VAL CG1 C 22.096 0.000 2 176 14 15 VAL CG2 C 24.528 0.000 2 177 14 15 VAL N N 121.205 0.000 1 178 15 16 ARG H H 8.855 0.000 1 179 15 16 ARG HA H 3.714 0.000 1 180 15 16 ARG HB2 H 1.850 0.000 2 181 15 16 ARG HB3 H 2.076 0.000 2 182 15 16 ARG HG2 H 1.464 0.000 2 183 15 16 ARG HG3 H 1.728 0.000 2 184 15 16 ARG HD2 H 3.137 0.000 2 185 15 16 ARG HD3 H 3.286 0.000 2 186 15 16 ARG HE H 8.241 0.000 1 187 15 16 ARG C C 178.150 0.000 1 188 15 16 ARG CA C 60.520 0.000 1 189 15 16 ARG CB C 30.215 0.025 1 190 15 16 ARG CG C 28.014 0.009 1 191 15 16 ARG CD C 43.091 0.004 1 192 15 16 ARG CZ C 159.866 0.000 1 193 15 16 ARG N N 121.067 0.000 1 194 15 16 ARG NE N 85.881 0.000 1 195 16 17 SER H H 7.987 0.000 1 196 16 17 SER HA H 4.245 0.000 1 197 16 17 SER HB2 H 4.026 0.000 2 198 16 17 SER HB3 H 4.054 0.000 2 199 16 17 SER C C 177.177 0.000 1 200 16 17 SER CA C 61.756 0.000 1 201 16 17 SER CB C 62.785 0.002 1 202 16 17 SER N N 112.741 0.000 1 203 17 18 LEU H H 7.728 0.000 1 204 17 18 LEU HA H 4.257 0.000 1 205 17 18 LEU HB2 H 1.760 0.000 2 206 17 18 LEU HB3 H 1.987 0.000 2 207 17 18 LEU HG H 1.930 0.000 1 208 17 18 LEU HD1 H 0.914 0.000 . 209 17 18 LEU HD2 H 0.964 0.000 . 210 17 18 LEU C C 179.350 0.000 1 211 17 18 LEU CA C 58.484 0.000 1 212 17 18 LEU CB C 42.475 0.001 1 213 17 18 LEU CG C 26.927 0.000 1 214 17 18 LEU CD1 C 24.397 0.000 2 215 17 18 LEU CD2 C 25.672 0.000 2 216 17 18 LEU N N 122.703 0.000 1 217 18 19 LEU H H 8.367 0.000 1 218 18 19 LEU HA H 4.231 0.000 1 219 18 19 LEU HB2 H 1.548 0.000 2 220 18 19 LEU HB3 H 2.021 0.000 2 221 18 19 LEU HG H 2.016 0.000 1 222 18 19 LEU HD1 H 0.786 0.000 . 223 18 19 LEU HD2 H 0.840 0.000 . 224 18 19 LEU C C 178.556 0.000 1 225 18 19 LEU CA C 57.275 0.000 1 226 18 19 LEU CB C 41.716 0.008 1 227 18 19 LEU CG C 26.758 0.000 1 228 18 19 LEU CD1 C 22.420 0.000 2 229 18 19 LEU CD2 C 26.927 0.000 2 230 18 19 LEU N N 116.536 0.000 1 231 19 20 THR H H 7.926 0.000 1 232 19 20 THR HA H 4.072 0.000 1 233 19 20 THR HB H 4.380 0.000 1 234 19 20 THR HG2 H 1.399 0.000 . 235 19 20 THR C C 175.433 0.000 1 236 19 20 THR CA C 65.421 0.000 1 237 19 20 THR CB C 69.541 0.000 1 238 19 20 THR CG2 C 21.546 0.000 1 239 19 20 THR N N 111.172 0.000 1 240 20 21 LYS H H 7.350 0.000 1 241 20 21 LYS HA H 4.351 0.000 1 242 20 21 LYS HB2 H 2.201 0.000 2 243 20 21 LYS HB3 H 2.201 0.000 2 244 20 21 LYS HG2 H 1.603 0.000 2 245 20 21 LYS HG3 H 1.730 0.000 2 246 20 21 LYS HD2 H 1.813 0.000 2 247 20 21 LYS HD3 H 1.813 0.000 2 248 20 21 LYS HE2 H 3.071 0.000 2 249 20 21 LYS HE3 H 3.071 0.000 2 250 20 21 LYS C C 176.229 0.000 1 251 20 21 LYS CA C 56.514 0.000 1 252 20 21 LYS CB C 32.349 0.000 1 253 20 21 LYS CG C 25.184 0.000 1 254 20 21 LYS CD C 29.239 0.000 1 255 20 21 LYS CE C 42.224 0.000 1 256 20 21 LYS N N 117.696 0.000 1 257 21 22 TRP H H 7.710 0.000 1 258 21 22 TRP HA H 4.768 0.000 1 259 21 22 TRP HB2 H 2.292 0.000 2 260 21 22 TRP HB3 H 3.800 0.000 2 261 21 22 TRP HD1 H 7.351 0.000 1 262 21 22 TRP HE1 H 11.732 0.000 1 263 21 22 TRP HE3 H 7.093 0.000 1 264 21 22 TRP HZ2 H 7.128 0.000 1 265 21 22 TRP HZ3 H 6.469 0.000 1 266 21 22 TRP HH2 H 6.588 0.000 1 267 21 22 TRP C C 177.333 0.000 1 268 21 22 TRP CA C 54.466 0.000 1 269 21 22 TRP CB C 28.882 0.007 1 270 21 22 TRP CD1 C 123.462 0.000 1 271 21 22 TRP CE3 C 121.653 0.000 1 272 21 22 TRP CZ2 C 113.381 0.000 1 273 21 22 TRP CZ3 C 120.337 0.000 1 274 21 22 TRP CH2 C 123.765 0.000 1 275 21 22 TRP N N 123.258 0.000 1 276 21 22 TRP NE1 N 130.779 0.000 1 277 22 23 ALA H H 9.658 0.000 1 278 22 23 ALA HA H 4.146 0.000 1 279 22 23 ALA HB H 1.575 0.000 . 280 22 23 ALA C C 177.467 0.000 1 281 22 23 ALA CA C 54.855 0.000 1 282 22 23 ALA CB C 18.964 0.000 1 283 22 23 ALA N N 133.336 0.000 1 284 23 24 LYS H H 5.756 0.000 1 285 23 24 LYS HA H 4.000 0.000 1 286 23 24 LYS HB2 H -0.193 0.000 2 287 23 24 LYS HB3 H 1.550 0.000 2 288 23 24 LYS HG2 H 1.256 0.000 2 289 23 24 LYS HG3 H 1.409 0.000 2 290 23 24 LYS HD2 H 1.755 0.000 2 291 23 24 LYS HD3 H 1.755 0.000 2 292 23 24 LYS HE2 H 3.223 0.000 2 293 23 24 LYS HE3 H 3.223 0.000 2 294 23 24 LYS C C 175.467 0.000 1 295 23 24 LYS CA C 56.522 0.000 1 296 23 24 LYS CB C 33.306 0.000 1 297 23 24 LYS CG C 26.755 0.006 1 298 23 24 LYS CD C 29.477 0.000 1 299 23 24 LYS CE C 42.615 0.000 1 300 23 24 LYS N N 111.352 0.000 1 301 24 25 VAL H H 7.179 0.000 1 302 24 25 VAL HA H 3.378 0.000 1 303 24 25 VAL HB H 2.164 0.000 1 304 24 25 VAL HG1 H 0.765 0.000 . 305 24 25 VAL HG2 H 0.920 0.000 . 306 24 25 VAL C C 175.634 0.000 1 307 24 25 VAL CA C 64.463 0.000 1 308 24 25 VAL CB C 32.021 0.000 1 309 24 25 VAL CG1 C 22.092 0.000 2 310 24 25 VAL CG2 C 25.696 0.000 2 311 24 25 VAL N N 119.937 0.000 1 312 25 26 GLU H H 9.017 0.000 1 313 25 26 GLU HA H 4.408 0.000 1 314 25 26 GLU HB2 H 1.660 0.000 2 315 25 26 GLU HB3 H 1.973 0.000 2 316 25 26 GLU HG2 H 2.072 0.000 2 317 25 26 GLU HG3 H 2.145 0.000 2 318 25 26 GLU C C 176.448 0.000 1 319 25 26 GLU CA C 56.976 0.000 1 320 25 26 GLU CB C 31.406 0.010 1 321 25 26 GLU CG C 36.654 0.000 1 322 25 26 GLU N N 127.218 0.000 1 323 26 27 ARG H H 7.521 0.000 1 324 26 27 ARG HA H 4.527 0.000 1 325 26 27 ARG HB2 H 1.841 0.000 2 326 26 27 ARG HB3 H 1.841 0.000 2 327 26 27 ARG HG2 H 1.446 0.000 2 328 26 27 ARG HG3 H 1.599 0.000 2 329 26 27 ARG HD2 H 3.074 0.000 2 330 26 27 ARG HD3 H 3.143 0.000 2 331 26 27 ARG HE H 7.199 0.000 1 332 26 27 ARG C C 173.508 0.000 1 333 26 27 ARG CA C 56.216 0.000 1 334 26 27 ARG CB C 33.963 0.000 1 335 26 27 ARG CG C 27.114 0.004 1 336 26 27 ARG CD C 43.360 0.001 1 337 26 27 ARG N N 117.397 0.000 1 338 26 27 ARG NE N 83.908 0.000 1 339 27 28 ILE H H 8.662 0.000 1 340 27 28 ILE HA H 4.681 0.000 1 341 27 28 ILE HB H 1.644 0.000 1 342 27 28 ILE HG12 H 0.865 0.000 2 343 27 28 ILE HG13 H 1.594 0.000 2 344 27 28 ILE HG2 H 0.835 0.000 . 345 27 28 ILE HD1 H 0.874 0.000 . 346 27 28 ILE C C 173.872 0.000 1 347 27 28 ILE CA C 61.090 0.000 1 348 27 28 ILE CB C 40.685 0.000 1 349 27 28 ILE CG1 C 28.057 0.010 1 350 27 28 ILE CG2 C 16.734 0.000 1 351 27 28 ILE CD1 C 14.752 0.000 1 352 27 28 ILE N N 123.297 0.000 1 353 28 29 GLN H H 9.282 0.000 1 354 28 29 GLN HA H 4.752 0.000 1 355 28 29 GLN HB2 H 1.866 0.000 2 356 28 29 GLN HB3 H 1.994 0.000 2 357 28 29 GLN HG2 H 2.180 0.000 2 358 28 29 GLN HG3 H 2.233 0.000 2 359 28 29 GLN HE21 H 7.655 0.001 2 360 28 29 GLN HE22 H 6.771 0.000 2 361 28 29 GLN C C 174.329 0.000 1 362 28 29 GLN CA C 54.069 0.000 1 363 28 29 GLN CB C 32.942 0.001 1 364 28 29 GLN CG C 33.914 0.004 1 365 28 29 GLN CD C 180.139 0.005 1 366 28 29 GLN N N 125.810 0.000 1 367 28 29 GLN NE2 N 111.946 0.013 1 368 29 30 ASP H H 8.666 0.000 1 369 29 30 ASP HA H 4.886 0.000 1 370 29 30 ASP HB2 H 2.547 0.000 2 371 29 30 ASP HB3 H 2.719 0.000 2 372 29 30 ASP C C 175.522 0.000 1 373 29 30 ASP CA C 55.456 0.000 1 374 29 30 ASP CB C 41.323 0.006 1 375 29 30 ASP N N 125.001 0.000 1 376 30 31 VAL H H 7.784 0.000 1 377 30 31 VAL HA H 4.644 0.000 1 378 30 31 VAL HB H 2.287 0.000 1 379 30 31 VAL HG1 H 0.661 0.000 . 380 30 31 VAL HG2 H 0.870 0.000 . 381 30 31 VAL C C 175.448 0.000 1 382 30 31 VAL CA C 59.178 0.000 1 383 30 31 VAL CB C 35.124 0.000 1 384 30 31 VAL CG1 C 18.746 0.000 2 385 30 31 VAL CG2 C 22.014 0.000 2 386 30 31 VAL N N 116.978 0.000 1 387 31 32 GLN H H 8.515 0.000 1 388 31 32 GLN HA H 4.033 0.000 1 389 31 32 GLN HB2 H 1.996 0.000 2 390 31 32 GLN HB3 H 2.115 0.000 2 391 31 32 GLN HG2 H 2.356 0.000 2 392 31 32 GLN HG3 H 2.392 0.000 2 393 31 32 GLN HE21 H 7.640 0.000 2 394 31 32 GLN HE22 H 6.890 0.000 2 395 31 32 GLN C C 176.620 0.000 1 396 31 32 GLN CA C 58.183 0.000 1 397 31 32 GLN CB C 28.042 0.003 1 398 31 32 GLN CG C 33.291 0.001 1 399 31 32 GLN CD C 180.192 0.014 1 400 31 32 GLN N N 121.763 0.000 1 401 31 32 GLN NE2 N 113.495 0.001 1 402 32 33 ASP H H 9.134 0.000 1 403 32 33 ASP HA H 4.975 0.000 1 404 32 33 ASP HB2 H 3.097 0.000 2 405 32 33 ASP HB3 H 3.237 0.000 2 406 32 33 ASP C C 176.998 0.000 1 407 32 33 ASP CA C 55.528 0.000 1 408 32 33 ASP CB C 40.659 0.001 1 409 32 33 ASP N N 121.199 0.000 1 410 33 34 GLY H H 8.104 0.000 1 411 33 34 GLY HA2 H 4.948 0.000 2 412 33 34 GLY HA3 H 4.037 0.000 . 413 33 34 GLY C C 171.453 0.000 1 414 33 34 GLY CA C 47.365 0.002 1 415 33 34 GLY N N 106.691 0.000 1 416 34 35 LEU H H 8.491 0.000 1 417 34 35 LEU HA H 5.283 0.000 1 418 34 35 LEU HB2 H 1.339 0.000 2 419 34 35 LEU HB3 H 1.566 0.000 2 420 34 35 LEU HG H 1.564 0.000 1 421 34 35 LEU HD1 H 0.826 0.000 . 422 34 35 LEU HD2 H 1.011 0.000 . 423 34 35 LEU C C 174.568 0.000 1 424 34 35 LEU CA C 53.568 0.000 1 425 34 35 LEU CB C 49.272 0.002 1 426 34 35 LEU CG C 27.037 0.000 1 427 34 35 LEU CD1 C 25.977 0.000 2 428 34 35 LEU CD2 C 24.305 0.000 2 429 34 35 LEU N N 119.801 0.000 1 430 35 36 GLN H H 8.992 0.000 1 431 35 36 GLN HA H 5.217 0.000 1 432 35 36 GLN HB2 H 1.732 0.000 2 433 35 36 GLN HB3 H 1.779 0.000 2 434 35 36 GLN HG2 H 1.617 0.000 2 435 35 36 GLN HG3 H 1.726 0.000 2 436 35 36 GLN HE21 H 7.018 0.001 2 437 35 36 GLN HE22 H 6.782 0.001 2 438 35 36 GLN C C 174.530 0.000 1 439 35 36 GLN CA C 54.764 0.000 1 440 35 36 GLN CB C 31.480 0.001 1 441 35 36 GLN CG C 33.457 0.001 1 442 35 36 GLN CD C 178.756 0.006 1 443 35 36 GLN N N 121.349 0.000 1 444 35 36 GLN NE2 N 112.152 0.022 1 445 36 37 LEU H H 9.826 0.000 1 446 36 37 LEU HA H 5.358 0.000 1 447 36 37 LEU HB2 H 1.621 0.000 2 448 36 37 LEU HB3 H 1.621 0.000 2 449 36 37 LEU HG H 1.873 0.000 1 450 36 37 LEU HD1 H 0.915 0.000 . 451 36 37 LEU HD2 H 0.980 0.000 . 452 36 37 LEU C C 174.519 0.000 1 453 36 37 LEU CA C 54.931 0.000 1 454 36 37 LEU CB C 45.251 0.000 1 455 36 37 LEU CG C 29.486 0.000 1 456 36 37 LEU CD1 C 26.331 0.000 2 457 36 37 LEU CD2 C 28.689 0.000 2 458 36 37 LEU N N 126.882 0.000 1 459 37 38 ASP H H 8.556 0.000 1 460 37 38 ASP HA H 5.449 0.000 1 461 37 38 ASP HB2 H 2.436 0.000 2 462 37 38 ASP HB3 H 2.540 0.000 2 463 37 38 ASP C C 175.197 0.000 1 464 37 38 ASP CA C 53.379 0.000 1 465 37 38 ASP CB C 42.062 0.000 1 466 37 38 ASP N N 122.748 0.000 1 467 38 39 VAL H H 9.495 0.000 1 468 38 39 VAL HA H 4.141 0.000 1 469 38 39 VAL HB H 1.854 0.000 1 470 38 39 VAL HG1 H -0.115 0.000 . 471 38 39 VAL HG2 H 0.450 0.000 . 472 38 39 VAL C C 174.081 0.000 1 473 38 39 VAL CA C 60.442 0.000 1 474 38 39 VAL CB C 34.594 0.000 1 475 38 39 VAL CG1 C 20.597 0.000 2 476 38 39 VAL CG2 C 21.359 0.000 2 477 38 39 VAL N N 124.835 0.000 1 478 39 40 ARG H H 9.046 0.000 1 479 39 40 ARG HA H 4.516 0.000 1 480 39 40 ARG HB2 H 1.649 0.000 2 481 39 40 ARG HB3 H 2.036 0.000 2 482 39 40 ARG HG2 H 1.322 0.000 2 483 39 40 ARG HG3 H 1.515 0.000 2 484 39 40 ARG HD2 H 3.051 0.000 2 485 39 40 ARG HD3 H 3.201 0.000 2 486 39 40 ARG HE H 7.347 0.000 1 487 39 40 ARG C C 174.144 0.000 1 488 39 40 ARG CA C 53.504 0.000 1 489 39 40 ARG CB C 28.119 0.004 1 490 39 40 ARG CG C 26.322 0.002 1 491 39 40 ARG CD C 42.162 0.007 1 492 39 40 ARG CZ C 159.650 0.000 1 493 39 40 ARG N N 131.221 0.000 1 494 39 40 ARG NE N 83.439 0.000 1 495 40 41 LEU H H 7.786 0.000 1 496 40 41 LEU HA H 4.026 0.000 1 497 40 41 LEU HB2 H 1.425 0.000 2 498 40 41 LEU HB3 H 1.716 0.000 2 499 40 41 LEU HG H 1.728 0.000 1 500 40 41 LEU HD1 H 0.938 0.000 . 501 40 41 LEU HD2 H 1.082 0.000 . 502 40 41 LEU C C 176.934 0.000 1 503 40 41 LEU CA C 57.863 0.000 1 504 40 41 LEU CB C 43.748 0.001 1 505 40 41 LEU CG C 26.795 0.000 1 506 40 41 LEU CD1 C 24.296 0.000 2 507 40 41 LEU CD2 C 25.016 0.000 2 508 40 41 LEU N N 129.501 0.000 1 509 41 42 LYS H H 8.313 0.000 1 510 41 42 LYS HA H 4.694 0.000 1 511 41 42 LYS HB2 H 1.834 0.000 2 512 41 42 LYS HB3 H 2.253 0.000 2 513 41 42 LYS HG2 H 1.443 0.000 2 514 41 42 LYS HG3 H 1.514 0.000 2 515 41 42 LYS HD2 H 1.798 0.000 2 516 41 42 LYS HD3 H 1.843 0.000 2 517 41 42 LYS HE2 H 3.044 0.000 2 518 41 42 LYS HE3 H 3.087 0.000 2 519 41 42 LYS CA C 54.179 0.000 1 520 41 42 LYS CB C 36.003 0.001 1 521 41 42 LYS CG C 24.408 0.000 1 522 41 42 LYS CD C 29.306 0.004 1 523 41 42 LYS CE C 41.857 0.004 1 524 41 42 LYS N N 112.553 0.000 1 525 42 43 THR HA H 3.860 0.000 1 526 42 43 THR HB H 4.149 0.000 1 527 42 43 THR HG2 H 1.291 0.000 . 528 42 43 THR C C 174.883 0.000 1 529 42 43 THR CA C 66.494 0.000 1 530 42 43 THR CB C 68.508 0.000 1 531 42 43 THR CG2 C 22.111 0.000 1 532 43 44 ASP H H 7.759 0.000 1 533 43 44 ASP HA H 4.829 0.000 1 534 43 44 ASP HB2 H 2.624 0.000 2 535 43 44 ASP HB3 H 3.360 0.000 2 536 43 44 ASP C C 176.791 0.000 1 537 43 44 ASP CA C 52.921 0.000 1 538 43 44 ASP CB C 42.070 0.004 1 539 43 44 ASP N N 114.795 0.000 1 540 44 45 THR H H 7.551 0.000 1 541 44 45 THR HA H 5.303 0.000 1 542 44 45 THR HB H 3.782 0.000 1 543 44 45 THR HG2 H 1.116 0.000 . 544 44 45 THR C C 171.480 0.000 1 545 44 45 THR CA C 62.732 0.000 1 546 44 45 THR CB C 72.378 0.000 1 547 44 45 THR CG2 C 20.959 0.000 1 548 44 45 THR N N 115.323 0.000 1 549 45 46 LEU H H 9.590 0.000 1 550 45 46 LEU HA H 4.954 0.000 1 551 45 46 LEU HB2 H 1.410 0.000 2 552 45 46 LEU HB3 H 1.870 0.000 2 553 45 46 LEU HG H 1.494 0.000 1 554 45 46 LEU HD1 H 0.688 0.000 . 555 45 46 LEU HD2 H 0.738 0.000 . 556 45 46 LEU C C 174.048 0.000 1 557 45 46 LEU CA C 53.357 0.000 1 558 45 46 LEU CB C 45.735 0.000 1 559 45 46 LEU CG C 27.548 0.000 1 560 45 46 LEU CD1 C 25.034 0.000 2 561 45 46 LEU CD2 C 24.241 0.000 2 562 45 46 LEU N N 130.323 0.000 1 563 46 47 LEU H H 9.673 0.000 1 564 46 47 LEU HA H 5.150 0.000 1 565 46 47 LEU HB2 H 1.273 0.000 2 566 46 47 LEU HB3 H 1.927 0.000 2 567 46 47 LEU HG H 1.359 0.000 1 568 46 47 LEU HD1 H 0.293 0.000 . 569 46 47 LEU HD2 H 0.717 0.000 . 570 46 47 LEU C C 173.309 0.000 1 571 46 47 LEU CA C 53.587 0.000 1 572 46 47 LEU CB C 45.122 0.001 1 573 46 47 LEU CG C 27.487 0.000 1 574 46 47 LEU CD1 C 26.461 0.000 2 575 46 47 LEU CD2 C 26.077 0.000 2 576 46 47 LEU N N 127.468 0.000 1 577 47 48 GLU H H 9.400 0.000 1 578 47 48 GLU HA H 5.222 0.000 1 579 47 48 GLU HB2 H 2.292 0.000 2 580 47 48 GLU HB3 H 2.474 0.000 2 581 47 48 GLU HG2 H 2.081 0.000 2 582 47 48 GLU HG3 H 2.666 0.000 2 583 47 48 GLU C C 173.970 0.000 1 584 47 48 GLU CA C 54.673 0.000 1 585 47 48 GLU CB C 31.910 0.006 1 586 47 48 GLU CG C 36.120 0.003 1 587 47 48 GLU N N 131.371 0.000 1 588 48 49 LEU H H 9.433 0.000 1 589 48 49 LEU HA H 4.987 0.000 1 590 48 49 LEU HB2 H 1.125 0.000 2 591 48 49 LEU HB3 H 1.907 0.000 2 592 48 49 LEU HG H 1.506 0.000 1 593 48 49 LEU HD1 H 0.682 0.000 . 594 48 49 LEU HD2 H 0.710 0.000 . 595 48 49 LEU C C 174.115 0.000 1 596 48 49 LEU CA C 54.673 0.000 1 597 48 49 LEU CB C 45.638 0.003 1 598 48 49 LEU CG C 27.471 0.000 1 599 48 49 LEU CD1 C 25.883 0.000 2 600 48 49 LEU CD2 C 25.488 0.000 2 601 48 49 LEU N N 129.742 0.000 1 602 49 50 HIS H H 9.575 0.000 1 603 49 50 HIS HA H 5.420 0.000 1 604 49 50 HIS HB2 H 3.048 0.000 2 605 49 50 HIS HB3 H 3.336 0.000 2 606 49 50 HIS HD2 H 7.005 0.001 1 607 49 50 HIS HE1 H 7.729 0.000 1 608 49 50 HIS C C 174.293 0.000 1 609 49 50 HIS CA C 55.626 0.000 1 610 49 50 HIS CB C 33.850 0.011 1 611 49 50 HIS CD2 C 115.944 0.000 1 612 49 50 HIS CE1 C 138.350 0.000 1 613 49 50 HIS N N 126.356 0.000 1 614 50 51 ILE H H 8.991 0.000 1 615 50 51 ILE HA H 5.246 0.000 1 616 50 51 ILE HB H 1.818 0.000 1 617 50 51 ILE HG12 H 1.328 0.000 2 618 50 51 ILE HG13 H 1.729 0.000 2 619 50 51 ILE HG2 H 1.303 0.000 . 620 50 51 ILE HD1 H 0.937 0.000 . 621 50 51 ILE C C 175.021 0.000 1 622 50 51 ILE CA C 60.592 0.000 1 623 50 51 ILE CB C 40.771 0.000 1 624 50 51 ILE CG1 C 28.490 0.006 1 625 50 51 ILE CG2 C 16.343 0.000 1 626 50 51 ILE CD1 C 14.871 0.000 1 627 50 51 ILE N N 123.679 0.000 1 628 51 52 TYR H H 9.189 0.000 1 629 51 52 TYR HA H 5.471 0.000 1 630 51 52 TYR HB2 H 2.969 0.000 2 631 51 52 TYR HB3 H 3.162 0.000 2 632 51 52 TYR HD1 H 6.887 0.001 3 633 51 52 TYR HD2 H 6.887 0.001 3 634 51 52 TYR HE1 H 6.601 0.001 3 635 51 52 TYR HE2 H 6.601 0.001 3 636 51 52 TYR C C 171.145 0.000 1 637 51 52 TYR CA C 55.612 0.000 1 638 51 52 TYR CB C 41.121 0.026 1 639 51 52 TYR CD1 C 134.015 0.000 3 640 51 52 TYR CE1 C 117.491 0.000 3 641 51 52 TYR N N 126.281 0.000 1 642 52 53 TYR H H 7.985 0.000 1 643 52 53 TYR HA H 3.807 0.000 1 644 52 53 TYR HB2 H 1.016 0.000 2 645 52 53 TYR HB3 H 2.118 0.000 2 646 52 53 TYR HD1 H 5.580 0.001 3 647 52 53 TYR HD2 H 5.580 0.001 3 648 52 53 TYR HE1 H 6.134 0.004 3 649 52 53 TYR HE2 H 6.134 0.004 3 650 52 53 TYR C C 173.874 0.000 1 651 52 53 TYR CA C 56.962 0.000 1 652 52 53 TYR CB C 39.544 0.015 1 653 52 53 TYR CD2 C 132.698 0.000 3 654 52 53 TYR CE2 C 116.274 0.000 3 655 52 53 TYR N N 120.025 0.000 1 656 53 54 ASP H H 7.449 0.000 1 657 53 54 ASP HA H 4.693 0.000 1 658 53 54 ASP HB2 H 2.332 0.000 2 659 53 54 ASP HB3 H 2.575 0.000 2 660 53 54 ASP C C 175.962 0.000 1 661 53 54 ASP CA C 52.977 0.000 1 662 53 54 ASP CB C 43.028 0.007 1 663 53 54 ASP N N 127.411 0.000 1 664 54 55 HIS H H 8.512 0.000 1 665 54 55 HIS HA H 3.979 0.000 1 666 54 55 HIS HB2 H 3.024 0.000 2 667 54 55 HIS HB3 H 3.239 0.000 2 668 54 55 HIS HD2 H 7.343 0.000 1 669 54 55 HIS HE1 H 7.788 0.000 1 670 54 55 HIS C C 175.406 0.000 1 671 54 55 HIS CA C 58.617 0.000 1 672 54 55 HIS CB C 31.417 0.004 1 673 54 55 HIS CD2 C 118.766 0.000 1 674 54 55 HIS CE1 C 138.241 0.000 1 675 54 55 HIS N N 124.486 0.000 1 676 55 56 VAL H H 8.397 0.000 1 677 55 56 VAL HA H 3.536 0.000 1 678 55 56 VAL HB H 2.017 0.000 1 679 55 56 VAL HG1 H 0.265 0.000 . 680 55 56 VAL HG2 H 0.826 0.000 . 681 55 56 VAL C C 177.379 0.000 1 682 55 56 VAL CA C 65.174 0.000 1 683 55 56 VAL CB C 31.274 0.000 1 684 55 56 VAL CG1 C 20.250 0.000 2 685 55 56 VAL CG2 C 21.857 0.000 2 686 55 56 VAL N N 120.625 0.000 1 687 56 57 TYR H H 7.641 0.000 1 688 56 57 TYR HA H 4.266 0.000 1 689 56 57 TYR HB2 H 2.235 0.000 2 690 56 57 TYR HB3 H 3.117 0.000 2 691 56 57 TYR HD1 H 7.220 0.002 3 692 56 57 TYR HD2 H 7.220 0.002 3 693 56 57 TYR HE1 H 6.845 0.002 3 694 56 57 TYR HE2 H 6.845 0.002 3 695 56 57 TYR C C 174.645 0.000 1 696 56 57 TYR CA C 58.726 0.000 1 697 56 57 TYR CB C 39.566 0.027 1 698 56 57 TYR CD2 C 132.927 0.000 3 699 56 57 TYR CE2 C 118.237 0.000 3 700 56 57 TYR N N 115.771 0.000 1 701 57 58 HIS H H 7.764 0.000 1 702 57 58 HIS HA H 3.747 0.000 1 703 57 58 HIS HB2 H 3.439 0.000 2 704 57 58 HIS HB3 H 3.548 0.000 2 705 57 58 HIS HD2 H 7.144 0.003 1 706 57 58 HIS HE1 H 8.478 0.000 1 707 57 58 HIS C C 172.860 0.000 1 708 57 58 HIS CA C 56.648 0.000 1 709 57 58 HIS CB C 25.302 0.025 1 710 57 58 HIS CD2 C 120.141 0.000 1 711 57 58 HIS CE1 C 136.361 0.000 1 712 57 58 HIS N N 116.177 0.000 1 713 58 59 VAL H H 6.310 0.000 1 714 58 59 VAL HA H 4.700 0.000 1 715 58 59 VAL HB H 1.993 0.000 1 716 58 59 VAL HG1 H 0.622 0.000 . 717 58 59 VAL HG2 H 0.969 0.000 . 718 58 59 VAL CA C 56.332 0.000 1 719 58 59 VAL CB C 34.213 0.000 1 720 58 59 VAL CG1 C 18.069 0.000 2 721 58 59 VAL CG2 C 22.835 0.000 2 722 58 59 VAL N N 104.729 0.000 1 723 59 60 PRO HA H 4.345 0.000 1 724 59 60 PRO HB2 H 1.239 0.000 2 725 59 60 PRO HB3 H -0.047 0.000 2 726 59 60 PRO HG2 H 0.563 0.000 2 727 59 60 PRO HG3 H 1.052 0.000 2 728 59 60 PRO HD2 H 3.081 0.000 2 729 59 60 PRO HD3 H 3.446 0.000 2 730 59 60 PRO C C 174.254 0.000 1 731 59 60 PRO CA C 61.590 0.000 1 732 59 60 PRO CB C 29.776 0.006 1 733 59 60 PRO CG C 26.321 0.006 1 734 59 60 PRO CD C 50.123 0.005 1 735 60 61 SER H H 8.854 0.000 1 736 60 61 SER HA H 4.899 0.000 1 737 60 61 SER HB2 H 2.059 0.000 2 738 60 61 SER HB3 H 3.521 0.000 2 739 60 61 SER CA C 57.691 0.000 1 740 60 61 SER CB C 66.483 0.003 1 741 60 61 SER N N 116.530 0.000 1 742 61 62 ILE HA H 5.704 0.000 1 743 61 62 ILE HB H 1.790 0.000 1 744 61 62 ILE HG12 H 1.197 0.000 2 745 61 62 ILE HG13 H 1.925 0.000 2 746 61 62 ILE HG2 H 1.148 0.000 . 747 61 62 ILE HD1 H 0.673 0.000 . 748 61 62 ILE C C 176.160 0.000 1 749 61 62 ILE CA C 59.918 0.000 1 750 61 62 ILE CB C 42.789 0.000 1 751 61 62 ILE CG1 C 28.486 0.006 1 752 61 62 ILE CG2 C 19.148 0.000 1 753 61 62 ILE CD1 C 14.082 0.000 1 754 62 63 LYS H H 9.011 0.000 1 755 62 63 LYS HA H 5.694 0.000 1 756 62 63 LYS HB2 H 1.173 0.000 2 757 62 63 LYS HB3 H 1.505 0.000 2 758 62 63 LYS HG2 H 0.535 0.000 2 759 62 63 LYS HG3 H 0.616 0.000 2 760 62 63 LYS HD2 H 0.262 0.000 2 761 62 63 LYS HD3 H 0.713 0.000 2 762 62 63 LYS HE2 H 1.226 0.000 2 763 62 63 LYS HE3 H 1.691 0.000 2 764 62 63 LYS C C 174.598 0.000 1 765 62 63 LYS CA C 54.508 0.000 1 766 62 63 LYS CB C 35.703 0.009 1 767 62 63 LYS CG C 24.563 0.004 1 768 62 63 LYS CD C 29.689 0.001 1 769 62 63 LYS CE C 41.433 0.003 1 770 62 63 LYS N N 123.794 0.000 1 771 63 64 PHE H H 9.776 0.000 1 772 63 64 PHE HA H 6.313 0.000 1 773 63 64 PHE HB2 H 3.269 0.000 2 774 63 64 PHE HB3 H 3.408 0.000 2 775 63 64 PHE HD1 H 6.933 0.000 3 776 63 64 PHE HD2 H 6.933 0.000 3 777 63 64 PHE HE1 H 6.909 0.000 3 778 63 64 PHE HE2 H 6.909 0.000 3 779 63 64 PHE HZ H 6.778 0.000 1 780 63 64 PHE C C 173.139 0.000 1 781 63 64 PHE CA C 56.593 0.000 1 782 63 64 PHE CB C 42.941 0.039 1 783 63 64 PHE CD1 C 132.691 0.000 3 784 63 64 PHE CE1 C 130.561 0.000 3 785 63 64 PHE CZ C 129.496 0.000 1 786 63 64 PHE N N 116.267 0.000 1 787 64 65 ARG H H 9.257 0.000 1 788 64 65 ARG HA H 4.781 0.000 1 789 64 65 ARG HB2 H 1.464 0.000 2 790 64 65 ARG HB3 H 1.772 0.000 2 791 64 65 ARG HG2 H 1.362 0.000 2 792 64 65 ARG HG3 H 1.498 0.000 2 793 64 65 ARG HD2 H 2.260 0.000 2 794 64 65 ARG HD3 H 2.639 0.000 2 795 64 65 ARG HE H 7.505 0.000 1 796 64 65 ARG C C 173.867 0.000 1 797 64 65 ARG CA C 55.757 0.000 1 798 64 65 ARG CB C 35.068 0.003 1 799 64 65 ARG CG C 27.598 0.004 1 800 64 65 ARG CD C 43.823 0.000 1 801 64 65 ARG CZ C 159.636 0.000 1 802 64 65 ARG N N 116.428 0.000 1 803 64 65 ARG NE N 84.788 0.000 1 804 65 66 LEU H H 9.041 0.000 1 805 65 66 LEU HA H 5.449 0.000 1 806 65 66 LEU HB2 H 1.373 0.000 2 807 65 66 LEU HB3 H 1.929 0.000 2 808 65 66 LEU HG H 1.745 0.000 1 809 65 66 LEU HD1 H 0.860 0.000 . 810 65 66 LEU HD2 H 0.954 0.000 . 811 65 66 LEU C C 174.002 0.000 1 812 65 66 LEU CA C 53.826 0.000 1 813 65 66 LEU CB C 46.672 0.001 1 814 65 66 LEU CG C 27.393 0.000 1 815 65 66 LEU CD1 C 26.850 0.000 2 816 65 66 LEU CD2 C 25.223 0.000 2 817 65 66 LEU N N 121.826 0.000 1 818 66 67 TRP H H 9.366 0.000 1 819 66 67 TRP HA H 5.323 0.000 1 820 66 67 TRP HB2 H 3.066 0.000 2 821 66 67 TRP HB3 H 3.168 0.000 2 822 66 67 TRP HD1 H 6.939 0.004 1 823 66 67 TRP HE1 H 10.333 0.000 1 824 66 67 TRP HE3 H 7.213 0.000 1 825 66 67 TRP HZ2 H 7.409 0.000 1 826 66 67 TRP HZ3 H 7.019 0.000 1 827 66 67 TRP HH2 H 7.160 0.000 1 828 66 67 TRP C C 175.763 0.000 1 829 66 67 TRP CA C 55.082 0.000 1 830 66 67 TRP CB C 33.171 0.011 1 831 66 67 TRP CD1 C 126.728 0.000 1 832 66 67 TRP CE3 C 120.333 0.000 1 833 66 67 TRP CZ2 C 114.261 0.000 1 834 66 67 TRP CZ3 C 121.784 0.000 1 835 66 67 TRP CH2 C 124.360 0.000 1 836 66 67 TRP N N 120.671 0.000 1 837 66 67 TRP NE1 N 129.387 0.000 1 838 67 68 SER H H 9.750 0.000 1 839 67 68 SER HA H 5.297 0.000 1 840 67 68 SER HB2 H 3.876 0.000 2 841 67 68 SER HB3 H 3.899 0.000 2 842 67 68 SER C C 174.327 0.000 1 843 67 68 SER CA C 56.883 0.000 1 844 67 68 SER CB C 65.230 0.001 1 845 67 68 SER N N 117.273 0.000 1 846 68 69 LEU H H 8.119 0.000 1 847 68 69 LEU HA H 4.758 0.000 1 848 68 69 LEU HB2 H 1.382 0.000 2 849 68 69 LEU HB3 H 1.619 0.000 2 850 68 69 LEU HG H 1.479 0.000 1 851 68 69 LEU HD1 H 0.811 0.000 . 852 68 69 LEU HD2 H 0.818 0.000 . 853 68 69 LEU C C 176.022 0.000 1 854 68 69 LEU CA C 54.379 0.000 1 855 68 69 LEU CB C 43.371 0.005 1 856 68 69 LEU CG C 27.579 0.000 1 857 68 69 LEU CD1 C 24.991 0.000 2 858 68 69 LEU CD2 C 25.122 0.000 2 859 68 69 LEU N N 126.002 0.000 1 860 69 70 ASP H H 8.572 0.000 1 861 69 70 ASP HA H 4.781 0.000 1 862 69 70 ASP HB2 H 2.658 0.000 2 863 69 70 ASP HB3 H 2.812 0.000 2 864 69 70 ASP C C 176.396 0.000 1 865 69 70 ASP CA C 54.383 0.000 1 866 69 70 ASP CB C 41.992 0.002 1 867 69 70 ASP N N 124.828 0.000 1 868 70 71 THR H H 8.403 0.000 1 869 70 71 THR HA H 4.531 0.000 1 870 70 71 THR HB H 4.218 0.000 1 871 70 71 THR HG2 H 1.182 0.000 . 872 70 71 THR C C 174.451 0.000 1 873 70 71 THR CA C 61.742 0.012 1 874 70 71 THR CB C 69.950 0.000 1 875 70 71 THR CG2 C 21.600 0.000 1 876 70 71 THR N N 114.913 0.000 1 877 71 72 GLU H H 8.542 0.000 1 878 71 72 GLU HA H 4.241 0.000 1 879 71 72 GLU HB2 H 1.986 0.000 2 880 71 72 GLU HB3 H 2.069 0.000 2 881 71 72 GLU HG2 H 2.229 0.000 2 882 71 72 GLU HG3 H 2.274 0.000 2 883 71 72 GLU C C 176.451 0.000 1 884 71 72 GLU CA C 57.207 0.000 1 885 71 72 GLU CB C 30.410 0.002 1 886 71 72 GLU CG C 36.441 0.001 1 887 71 72 GLU N N 123.605 0.000 1 888 72 73 GLU H H 8.503 0.000 1 889 72 73 GLU HA H 4.111 0.000 1 890 72 73 GLU HB2 H 2.005 0.000 2 891 72 73 GLU HB3 H 2.140 0.000 2 892 72 73 GLU HG2 H 2.226 0.000 2 893 72 73 GLU HG3 H 2.283 0.000 2 894 72 73 GLU C C 175.577 0.000 1 895 72 73 GLU CA C 57.097 0.000 1 896 72 73 GLU CB C 29.343 0.000 1 897 72 73 GLU CG C 36.441 0.001 1 898 72 73 GLU N N 119.641 0.000 1 899 73 74 ASP H H 8.228 0.000 1 900 73 74 ASP HA H 4.571 0.000 1 901 73 74 ASP HB2 H 2.675 0.000 2 902 73 74 ASP HB3 H 2.807 0.000 2 903 73 74 ASP C C 176.077 0.000 1 904 73 74 ASP CA C 54.494 0.000 1 905 73 74 ASP CB C 40.938 0.000 1 906 73 74 ASP N N 117.882 0.000 1 907 74 75 ILE H H 8.089 0.000 1 908 74 75 ILE HA H 4.209 0.000 1 909 74 75 ILE HB H 1.953 0.000 1 910 74 75 ILE HG12 H 1.221 0.000 2 911 74 75 ILE HG13 H 1.424 0.000 2 912 74 75 ILE HG2 H 0.901 0.000 . 913 74 75 ILE HD1 H 0.839 0.000 . 914 74 75 ILE C C 175.939 0.000 1 915 74 75 ILE CA C 61.326 0.000 1 916 74 75 ILE CB C 38.669 0.000 1 917 74 75 ILE CG1 C 27.173 0.012 1 918 74 75 ILE CG2 C 17.627 0.000 1 919 74 75 ILE CD1 C 13.167 0.000 1 920 74 75 ILE N N 120.809 0.000 1 921 75 76 SER H H 8.449 0.000 1 922 75 76 SER HA H 4.652 0.000 1 923 75 76 SER HB2 H 3.826 0.000 2 924 75 76 SER HB3 H 3.867 0.000 2 925 75 76 SER C C 174.313 0.000 1 926 75 76 SER CA C 58.778 0.000 1 927 75 76 SER CB C 63.860 0.000 1 928 75 76 SER N N 119.402 0.000 1 929 76 77 SER H H 8.280 0.000 1 930 76 77 SER HA H 4.588 0.000 1 931 76 77 SER HB2 H 3.863 0.000 2 932 76 77 SER HB3 H 3.893 0.000 2 933 76 77 SER C C 173.094 0.000 1 934 76 77 SER CA C 57.772 0.000 1 935 76 77 SER CB C 64.461 0.002 1 936 76 77 SER N N 118.644 0.000 1 937 77 78 LEU H H 7.981 0.000 1 938 77 78 LEU HA H 4.998 0.000 1 939 77 78 LEU HB2 H 1.432 0.000 2 940 77 78 LEU HB3 H 1.486 0.000 2 941 77 78 LEU HG H 1.499 0.000 1 942 77 78 LEU HD1 H 0.439 0.000 . 943 77 78 LEU HD2 H 0.560 0.000 . 944 77 78 LEU C C 177.081 0.000 1 945 77 78 LEU CA C 55.008 0.000 1 946 77 78 LEU CB C 44.021 0.004 1 947 77 78 LEU CG C 27.230 0.000 1 948 77 78 LEU CD1 C 24.955 0.000 2 949 77 78 LEU CD2 C 24.300 0.000 2 950 77 78 LEU N N 123.896 0.000 1 951 78 79 ARG H H 9.013 0.000 1 952 78 79 ARG HA H 4.959 0.000 1 953 78 79 ARG HB2 H 1.854 0.000 2 954 78 79 ARG HB3 H 1.922 0.000 2 955 78 79 ARG HG2 H 1.663 0.000 2 956 78 79 ARG HG3 H 1.663 0.000 2 957 78 79 ARG HD2 H 3.251 0.000 2 958 78 79 ARG HD3 H 3.284 0.000 2 959 78 79 ARG HE H 7.762 0.000 1 960 78 79 ARG C C 174.994 0.000 1 961 78 79 ARG CA C 54.664 0.000 1 962 78 79 ARG CB C 33.280 0.001 1 963 78 79 ARG CG C 27.181 0.000 1 964 78 79 ARG CD C 43.361 0.004 1 965 78 79 ARG CZ C 159.515 0.000 1 966 78 79 ARG N N 123.195 0.000 1 967 78 79 ARG NE N 84.872 0.000 1 968 79 80 LEU H H 8.807 0.000 1 969 79 80 LEU HA H 3.778 0.000 1 970 79 80 LEU HB2 H 1.146 0.000 2 971 79 80 LEU HB3 H 1.334 0.000 2 972 79 80 LEU HG H 0.916 0.000 1 973 79 80 LEU HD1 H 0.140 0.000 . 974 79 80 LEU HD2 H 0.279 0.000 . 975 79 80 LEU C C 177.216 0.000 1 976 79 80 LEU CA C 56.049 0.000 1 977 79 80 LEU CB C 42.285 0.003 1 978 79 80 LEU CG C 26.328 0.000 1 979 79 80 LEU CD1 C 23.595 0.000 2 980 79 80 LEU CD2 C 24.901 0.000 2 981 79 80 LEU N N 128.388 0.000 1 982 80 81 LEU H H 8.478 0.000 1 983 80 81 LEU HA H 4.563 0.000 1 984 80 81 LEU HB2 H 1.276 0.000 2 985 80 81 LEU HB3 H 1.597 0.000 2 986 80 81 LEU HG H 1.519 0.000 1 987 80 81 LEU HD1 H 0.870 0.000 . 988 80 81 LEU HD2 H 0.880 0.000 . 989 80 81 LEU C C 176.354 0.000 1 990 80 81 LEU CA C 54.161 0.000 1 991 80 81 LEU CB C 43.410 0.003 1 992 80 81 LEU CG C 26.679 0.000 1 993 80 81 LEU CD1 C 24.694 0.000 2 994 80 81 LEU CD2 C 23.749 0.000 2 995 80 81 LEU N N 127.521 0.000 1 996 81 82 THR H H 8.735 0.000 1 997 81 82 THR HA H 4.391 0.000 1 998 81 82 THR HB H 4.053 0.000 1 999 81 82 THR HG2 H 1.035 0.000 . 1000 81 82 THR C C 173.678 0.000 1 1001 81 82 THR CA C 61.112 0.000 1 1002 81 82 THR CB C 68.941 0.000 1 1003 81 82 THR CG2 C 21.227 0.000 1 1004 81 82 THR N N 121.108 0.000 1 1005 82 83 LEU H H 7.985 0.000 1 1006 82 83 LEU HA H 4.771 0.000 1 1007 82 83 LEU HB2 H 1.619 0.000 2 1008 82 83 LEU HB3 H 1.619 0.000 2 1009 82 83 LEU HG H 1.505 0.000 1 1010 82 83 LEU HD1 H 0.765 0.000 . 1011 82 83 LEU HD2 H 0.835 0.000 . 1012 82 83 LEU C C 177.192 0.000 1 1013 82 83 LEU CA C 53.414 0.000 1 1014 82 83 LEU CB C 44.525 0.000 1 1015 82 83 LEU CG C 27.034 0.000 1 1016 82 83 LEU CD1 C 26.526 0.000 2 1017 82 83 LEU CD2 C 22.927 0.000 2 1018 82 83 LEU N N 125.276 0.000 1 1019 83 84 SER H H 9.214 0.000 1 1020 83 84 SER HA H 4.591 0.000 1 1021 83 84 SER HB2 H 4.062 0.000 2 1022 83 84 SER HB3 H 4.389 0.000 2 1023 83 84 SER C C 174.317 0.000 1 1024 83 84 SER CA C 57.202 0.000 1 1025 83 84 SER CB C 65.345 0.008 1 1026 83 84 SER N N 118.590 0.000 1 1027 84 85 ASP H H 9.014 0.000 1 1028 84 85 ASP HA H 4.343 0.000 1 1029 84 85 ASP HB2 H 2.700 0.000 2 1030 84 85 ASP HB3 H 2.831 0.000 2 1031 84 85 ASP C C 178.027 0.000 1 1032 84 85 ASP CA C 58.791 0.000 1 1033 84 85 ASP CB C 41.986 0.005 1 1034 84 85 ASP N N 121.149 0.000 1 1035 85 86 SER H H 8.467 0.000 1 1036 85 86 SER HA H 4.110 0.000 1 1037 85 86 SER HB2 H 3.898 0.000 2 1038 85 86 SER HB3 H 3.898 0.000 2 1039 85 86 SER C C 177.696 0.000 1 1040 85 86 SER CA C 61.560 0.000 1 1041 85 86 SER CB C 62.355 0.000 1 1042 85 86 SER N N 111.874 0.000 1 1043 86 87 GLU H H 7.660 0.000 1 1044 86 87 GLU HA H 4.077 0.000 1 1045 86 87 GLU HB2 H 2.016 0.000 2 1046 86 87 GLU HB3 H 2.335 0.000 2 1047 86 87 GLU HG2 H 2.271 0.000 2 1048 86 87 GLU HG3 H 2.348 0.000 2 1049 86 87 GLU C C 180.335 0.000 1 1050 86 87 GLU CA C 59.036 0.000 1 1051 86 87 GLU CB C 30.819 0.007 1 1052 86 87 GLU CG C 37.348 0.000 1 1053 86 87 GLU N N 122.948 0.000 1 1054 87 88 LEU H H 8.878 0.000 1 1055 87 88 LEU HA H 3.883 0.000 1 1056 87 88 LEU HB2 H 1.572 0.000 2 1057 87 88 LEU HB3 H 1.808 0.000 2 1058 87 88 LEU HG H 1.541 0.000 1 1059 87 88 LEU HD1 H 0.631 0.000 . 1060 87 88 LEU HD2 H 0.697 0.000 . 1061 87 88 LEU C C 178.818 0.000 1 1062 87 88 LEU CA C 58.074 0.000 1 1063 87 88 LEU CB C 42.371 0.003 1 1064 87 88 LEU CG C 26.433 0.000 1 1065 87 88 LEU CD1 C 25.057 0.000 2 1066 87 88 LEU CD2 C 25.098 0.000 2 1067 87 88 LEU N N 122.341 0.000 1 1068 88 89 ARG H H 7.956 0.000 1 1069 88 89 ARG HA H 4.126 0.000 1 1070 88 89 ARG HB2 H 1.817 0.000 2 1071 88 89 ARG HB3 H 2.011 0.000 2 1072 88 89 ARG HD2 H 3.046 0.000 2 1073 88 89 ARG HD3 H 3.257 0.000 2 1074 88 89 ARG HE H 8.024 0.000 1 1075 88 89 ARG C C 176.552 0.000 1 1076 88 89 ARG CA C 58.720 0.000 1 1077 88 89 ARG CB C 29.785 0.002 1 1078 88 89 ARG CD C 43.004 0.008 1 1079 88 89 ARG CZ C 159.259 0.000 1 1080 88 89 ARG N N 115.874 0.000 1 1081 88 89 ARG NE N 86.609 0.000 1 1082 89 90 SER H H 7.481 0.000 1 1083 89 90 SER HA H 4.565 0.000 1 1084 89 90 SER HB2 H 4.018 0.000 2 1085 89 90 SER HB3 H 4.052 0.000 2 1086 89 90 SER C C 174.817 0.000 1 1087 89 90 SER CA C 60.043 0.000 1 1088 89 90 SER CB C 63.858 0.000 1 1089 89 90 SER N N 112.295 0.000 1 1090 90 91 ILE H H 7.372 0.000 1 1091 90 91 ILE HA H 4.438 0.000 1 1092 90 91 ILE HB H 1.846 0.000 1 1093 90 91 ILE HG12 H 1.180 0.000 2 1094 90 91 ILE HG13 H 1.608 0.000 2 1095 90 91 ILE HG2 H 0.930 0.000 . 1096 90 91 ILE HD1 H 0.781 0.000 . 1097 90 91 ILE C C 174.636 0.000 1 1098 90 91 ILE CA C 62.262 0.000 1 1099 90 91 ILE CB C 40.609 0.000 1 1100 90 91 ILE CG1 C 27.398 0.002 1 1101 90 91 ILE CG2 C 17.292 0.000 1 1102 90 91 ILE CD1 C 14.119 0.000 1 1103 90 91 ILE N N 116.577 0.000 1 1104 91 92 LEU H H 7.900 0.000 1 1105 91 92 LEU HA H 4.641 0.000 1 1106 91 92 LEU HB2 H 1.047 0.000 2 1107 91 92 LEU HB3 H 1.514 0.000 2 1108 91 92 LEU HG H 1.687 0.000 1 1109 91 92 LEU HD1 H 0.602 0.000 . 1110 91 92 LEU HD2 H 0.790 0.000 . 1111 91 92 LEU C C 175.178 0.000 1 1112 91 92 LEU CA C 52.813 0.000 1 1113 91 92 LEU CB C 43.673 0.002 1 1114 91 92 LEU CG C 26.875 0.000 1 1115 91 92 LEU CD1 C 26.596 0.000 2 1116 91 92 LEU CD2 C 23.335 0.000 2 1117 91 92 LEU N N 119.723 0.000 1 1118 92 93 ASN H H 8.916 0.000 1 1119 92 93 ASN HA H 4.983 0.000 1 1120 92 93 ASN HB2 H 2.726 0.000 2 1121 92 93 ASN HB3 H 2.824 0.000 2 1122 92 93 ASN HD21 H 7.231 0.000 2 1123 92 93 ASN HD22 H 7.075 0.003 2 1124 92 93 ASN C C 174.978 0.000 1 1125 92 93 ASN CA C 51.371 0.000 1 1126 92 93 ASN CB C 37.731 0.001 1 1127 92 93 ASN CG C 178.094 0.023 1 1128 92 93 ASN N N 119.687 0.000 1 1129 92 93 ASN ND2 N 115.684 0.000 1 1130 93 94 LEU H H 8.172 0.000 1 1131 93 94 LEU HA H 3.946 0.000 1 1132 93 94 LEU HB2 H 1.546 0.000 2 1133 93 94 LEU HB3 H 1.653 0.000 2 1134 93 94 LEU HG H 1.420 0.000 1 1135 93 94 LEU HD1 H 0.680 0.000 . 1136 93 94 LEU HD2 H 0.793 0.000 . 1137 93 94 LEU C C 177.367 0.000 1 1138 93 94 LEU CA C 57.051 0.000 1 1139 93 94 LEU CB C 42.772 0.003 1 1140 93 94 LEU CG C 27.717 0.000 1 1141 93 94 LEU CD1 C 24.451 0.000 2 1142 93 94 LEU CD2 C 26.020 0.000 2 1143 93 94 LEU N N 121.052 0.000 1 1144 94 95 GLY H H 8.281 0.000 1 1145 94 95 GLY HA2 H 3.882 0.000 2 1146 94 95 GLY HA3 H 3.661 0.000 . 1147 94 95 GLY C C 176.133 0.000 1 1148 94 95 GLY CA C 47.349 0.001 1 1149 94 95 GLY N N 105.340 0.000 1 1150 95 96 THR H H 8.419 0.000 1 1151 95 96 THR HA H 4.242 0.000 1 1152 95 96 THR HB H 4.333 0.000 1 1153 95 96 THR HG2 H 1.042 0.000 . 1154 95 96 THR C C 175.349 0.000 1 1155 95 96 THR CA C 61.859 0.000 1 1156 95 96 THR CB C 68.399 0.000 1 1157 95 96 THR CG2 C 21.384 0.000 1 1158 95 96 THR N N 117.040 0.000 1 1159 96 97 PHE H H 8.517 0.000 1 1160 96 97 PHE HA H 4.722 0.000 1 1161 96 97 PHE HB2 H 3.148 0.000 2 1162 96 97 PHE HB3 H 3.148 0.000 2 1163 96 97 PHE HD1 H 7.405 0.000 3 1164 96 97 PHE HD2 H 7.405 0.000 3 1165 96 97 PHE HE1 H 6.909 0.004 3 1166 96 97 PHE HE2 H 6.909 0.004 3 1167 96 97 PHE HZ H 6.490 0.000 1 1168 96 97 PHE C C 174.704 0.000 1 1169 96 97 PHE CA C 58.599 0.000 1 1170 96 97 PHE CB C 39.149 0.027 1 1171 96 97 PHE CD2 C 131.801 0.000 3 1172 96 97 PHE CE2 C 130.827 0.000 3 1173 96 97 PHE CZ C 128.784 0.000 1 1174 96 97 PHE N N 122.590 0.000 1 1175 97 98 SER H H 9.129 0.000 1 1176 97 98 SER HA H 4.859 0.000 1 1177 97 98 SER HB2 H 3.889 0.000 2 1178 97 98 SER HB3 H 3.889 0.000 2 1179 97 98 SER C C 173.002 0.000 1 1180 97 98 SER CA C 57.346 0.000 1 1181 97 98 SER CB C 65.739 0.000 1 1182 97 98 SER N N 114.201 0.000 1 1183 98 99 VAL H H 8.655 0.000 1 1184 98 99 VAL HA H 5.519 0.000 1 1185 98 99 VAL HB H 2.025 0.000 1 1186 98 99 VAL HG1 H 1.012 0.000 . 1187 98 99 VAL HG2 H 1.039 0.000 . 1188 98 99 VAL C C 175.574 0.000 1 1189 98 99 VAL CA C 59.390 0.000 1 1190 98 99 VAL CB C 35.426 0.000 1 1191 98 99 VAL CG1 C 22.249 0.000 2 1192 98 99 VAL CG2 C 22.480 0.000 2 1193 98 99 VAL N N 120.191 0.000 1 1194 99 100 THR H H 8.997 0.000 1 1195 99 100 THR HA H 4.729 0.000 1 1196 99 100 THR HB H 4.100 0.000 1 1197 99 100 THR HG2 H 1.232 0.000 . 1198 99 100 THR C C 172.605 0.000 1 1199 99 100 THR CA C 61.114 0.000 1 1200 99 100 THR CB C 71.850 0.000 1 1201 99 100 THR CG2 C 21.659 0.000 1 1202 99 100 THR N N 120.623 0.000 1 1203 100 101 LEU H H 8.766 0.000 1 1204 100 101 LEU HA H 4.949 0.000 1 1205 100 101 LEU HB2 H 1.437 0.000 2 1206 100 101 LEU HB3 H 1.622 0.000 2 1207 100 101 LEU HG H 1.266 0.000 1 1208 100 101 LEU HD1 H 0.347 0.000 . 1209 100 101 LEU HD2 H 0.613 0.000 . 1210 100 101 LEU C C 176.666 0.000 1 1211 100 101 LEU CA C 54.689 0.000 1 1212 100 101 LEU CB C 43.166 0.004 1 1213 100 101 LEU CG C 27.472 0.000 1 1214 100 101 LEU CD1 C 23.189 0.000 2 1215 100 101 LEU CD2 C 25.412 0.000 2 1216 100 101 LEU N N 127.613 0.000 1 1217 101 102 SER H H 8.926 0.000 1 1218 101 102 SER HA H 4.749 0.000 1 1219 101 102 SER HB2 H 3.777 0.000 2 1220 101 102 SER HB3 H 3.819 0.000 2 1221 101 102 SER C C 173.477 0.000 1 1222 101 102 SER CA C 57.514 0.000 1 1223 101 102 SER CB C 65.024 0.001 1 1224 101 102 SER N N 119.771 0.000 1 1225 102 103 THR H H 8.409 0.000 1 1226 102 103 THR HA H 4.618 0.000 1 1227 102 103 THR HB H 4.107 0.000 1 1228 102 103 THR HG2 H 1.072 0.000 . 1229 102 103 THR C C 174.020 0.000 1 1230 102 103 THR CA C 61.991 0.000 1 1231 102 103 THR CB C 69.972 0.000 1 1232 102 103 THR CG2 C 21.363 0.000 1 1233 102 103 THR N N 117.853 0.000 1 1234 103 104 ASP H H 8.598 0.000 1 1235 103 104 ASP HA H 4.708 0.000 1 1236 103 104 ASP HB2 H 2.762 0.000 2 1237 103 104 ASP HB3 H 2.793 0.000 2 1238 103 104 ASP C C 176.908 0.000 1 1239 103 104 ASP CA C 53.559 0.000 1 1240 103 104 ASP CB C 42.245 0.003 1 1241 103 104 ASP N N 125.295 0.000 1 1242 104 105 MET H H 8.719 0.000 1 1243 104 105 MET HA H 4.270 0.000 1 1244 104 105 MET HB2 H 2.098 0.000 2 1245 104 105 MET HB3 H 2.098 0.000 2 1246 104 105 MET HG2 H 2.568 0.000 2 1247 104 105 MET HG3 H 2.683 0.000 2 1248 104 105 MET C C 177.354 0.000 1 1249 104 105 MET CA C 57.300 0.000 1 1250 104 105 MET CB C 32.108 0.000 1 1251 104 105 MET CG C 32.193 0.001 1 1252 104 105 MET N N 122.470 0.000 1 1253 105 106 GLU H H 8.306 0.000 1 1254 105 106 GLU HA H 4.236 0.000 1 1255 105 106 GLU HB2 H 2.049 0.000 2 1256 105 106 GLU HB3 H 2.096 0.000 2 1257 105 106 GLU HG2 H 2.255 0.000 2 1258 105 106 GLU HG3 H 2.255 0.000 2 1259 105 106 GLU C C 177.172 0.000 1 1260 105 106 GLU CA C 57.729 0.000 1 1261 105 106 GLU CB C 29.776 0.006 1 1262 105 106 GLU CG C 36.608 0.000 1 1263 105 106 GLU N N 118.752 0.000 1 1264 106 107 MET H H 8.206 0.000 1 1265 106 107 MET HA H 4.329 0.000 1 1266 106 107 MET HB2 H 2.015 0.000 2 1267 106 107 MET HB3 H 2.189 0.000 2 1268 106 107 MET HG2 H 2.480 0.000 2 1269 106 107 MET HG3 H 2.666 0.000 2 1270 106 107 MET C C 176.319 0.000 1 1271 106 107 MET CA C 55.514 0.000 1 1272 106 107 MET CB C 31.566 0.003 1 1273 106 107 MET CG C 32.338 0.004 1 1274 106 107 MET N N 116.736 0.000 1 1275 107 108 LYS H H 8.382 0.000 1 1276 107 108 LYS HA H 4.086 0.000 1 1277 107 108 LYS HB2 H 1.880 0.000 2 1278 107 108 LYS HB3 H 1.982 0.000 2 1279 107 108 LYS HG2 H 1.360 0.000 2 1280 107 108 LYS HG3 H 1.383 0.000 2 1281 107 108 LYS HD2 H 1.641 0.000 2 1282 107 108 LYS HD3 H 1.696 0.000 2 1283 107 108 LYS HE2 H 3.012 0.000 2 1284 107 108 LYS HE3 H 3.012 0.000 2 1285 107 108 LYS C C 176.049 0.000 1 1286 107 108 LYS CA C 57.100 0.000 1 1287 107 108 LYS CB C 30.890 0.002 1 1288 107 108 LYS CG C 24.945 0.004 1 1289 107 108 LYS CD C 29.069 0.001 1 1290 107 108 LYS CE C 42.306 0.000 1 1291 107 108 LYS N N 117.661 0.000 1 1292 108 109 SER H H 7.892 0.000 1 1293 108 109 SER HA H 4.566 0.000 1 1294 108 109 SER HB2 H 3.619 0.000 2 1295 108 109 SER HB3 H 3.675 0.000 2 1296 108 109 SER C C 172.969 0.000 1 1297 108 109 SER CA C 56.997 0.000 1 1298 108 109 SER CB C 65.035 0.000 1 1299 108 109 SER N N 113.019 0.000 1 1300 109 110 VAL H H 7.878 0.000 1 1301 109 110 VAL HA H 4.402 0.000 1 1302 109 110 VAL HB H 1.699 0.000 1 1303 109 110 VAL HG1 H 0.625 0.000 . 1304 109 110 VAL HG2 H 0.730 0.000 . 1305 109 110 VAL C C 174.706 0.000 1 1306 109 110 VAL CA C 61.974 0.000 1 1307 109 110 VAL CB C 33.080 0.000 1 1308 109 110 VAL CG1 C 21.353 0.000 2 1309 109 110 VAL CG2 C 20.736 0.000 2 1310 109 110 VAL N N 121.915 0.000 1 1311 110 111 TYR H H 8.317 0.000 1 1312 110 111 TYR HA H 4.336 0.000 1 1313 110 111 TYR HB2 H 2.347 0.000 2 1314 110 111 TYR HB3 H 2.468 0.000 2 1315 110 111 TYR HD1 H 6.683 0.000 3 1316 110 111 TYR HD2 H 6.683 0.000 3 1317 110 111 TYR HE1 H 6.529 0.000 3 1318 110 111 TYR HE2 H 6.529 0.000 3 1319 110 111 TYR C C 173.915 0.000 1 1320 110 111 TYR CA C 57.263 0.000 1 1321 110 111 TYR CB C 43.222 0.004 1 1322 110 111 TYR CD1 C 132.186 0.000 3 1323 110 111 TYR CE1 C 117.841 0.000 3 1324 110 111 TYR N N 122.247 0.000 1 1325 111 112 TYR H H 8.690 0.000 1 1326 111 112 TYR HA H 4.869 0.000 1 1327 111 112 TYR HB2 H 0.903 0.000 2 1328 111 112 TYR HB3 H 1.878 0.000 2 1329 111 112 TYR HD1 H 6.744 0.001 3 1330 111 112 TYR HD2 H 6.744 0.001 3 1331 111 112 TYR HE1 H 6.946 0.000 3 1332 111 112 TYR HE2 H 6.946 0.000 3 1333 111 112 TYR C C 175.418 0.000 1 1334 111 112 TYR CA C 57.183 0.000 1 1335 111 112 TYR CB C 38.681 0.072 1 1336 111 112 TYR CD2 C 133.320 0.000 3 1337 111 112 TYR CE2 C 118.020 0.000 3 1338 111 112 TYR N N 117.096 0.000 1 1339 112 113 TYR H H 9.374 0.000 1 1340 112 113 TYR HA H 4.939 0.000 1 1341 112 113 TYR HB2 H 2.966 0.000 2 1342 112 113 TYR HB3 H 3.095 0.000 2 1343 112 113 TYR HD1 H 7.343 0.002 3 1344 112 113 TYR HD2 H 7.343 0.002 3 1345 112 113 TYR HE1 H 6.675 0.000 3 1346 112 113 TYR HE2 H 6.675 0.000 3 1347 112 113 TYR C C 176.674 0.000 1 1348 112 113 TYR CA C 57.567 0.000 1 1349 112 113 TYR CB C 39.924 0.035 1 1350 112 113 TYR CD1 C 133.762 0.000 3 1351 112 113 TYR CE1 C 118.611 0.000 3 1352 112 113 TYR N N 120.208 0.000 1 1353 113 114 ILE H H 8.076 0.000 1 1354 113 114 ILE HA H 4.821 0.000 1 1355 113 114 ILE HB H 2.345 0.000 1 1356 113 114 ILE HG12 H 1.508 0.000 2 1357 113 114 ILE HG13 H 1.722 0.000 2 1358 113 114 ILE HG2 H 1.082 0.000 . 1359 113 114 ILE HD1 H 0.920 0.000 . 1360 113 114 ILE C C 176.329 0.000 1 1361 113 114 ILE CA C 60.039 0.000 1 1362 113 114 ILE CB C 36.965 0.000 1 1363 113 114 ILE CG1 C 27.689 0.007 1 1364 113 114 ILE CG2 C 16.985 0.000 1 1365 113 114 ILE CD1 C 12.225 0.000 1 1366 113 114 ILE N N 121.490 0.000 1 1367 114 115 ASN H H 8.959 0.000 1 1368 114 115 ASN HA H 4.701 0.000 1 1369 114 115 ASN HB2 H 2.910 0.000 2 1370 114 115 ASN HB3 H 3.044 0.000 2 1371 114 115 ASN HD21 H 7.651 0.003 2 1372 114 115 ASN HD22 H 6.918 0.003 2 1373 114 115 ASN C C 175.914 0.000 1 1374 114 115 ASN CA C 55.022 0.000 1 1375 114 115 ASN CB C 38.549 0.005 1 1376 114 115 ASN CG C 176.471 0.010 1 1377 114 115 ASN N N 129.212 0.000 1 1378 114 115 ASN ND2 N 112.828 0.023 1 1379 115 116 ASN H H 8.464 0.000 1 1380 115 116 ASN HA H 4.869 0.000 1 1381 115 116 ASN HB2 H 2.956 0.000 2 1382 115 116 ASN HB3 H 2.956 0.000 2 1383 115 116 ASN HD21 H 7.673 0.001 2 1384 115 116 ASN HD22 H 7.115 0.001 2 1385 115 116 ASN C C 178.040 0.000 1 1386 115 116 ASN CA C 52.780 0.000 1 1387 115 116 ASN CB C 39.096 0.000 1 1388 115 116 ASN CG C 175.882 0.002 1 1389 115 116 ASN N N 121.613 0.000 1 1390 115 116 ASN ND2 N 110.064 0.002 1 1391 116 117 CYS H H 8.256 0.000 1 1392 116 117 CYS HA H 3.744 0.000 1 1393 116 117 CYS HB2 H 2.845 0.000 2 1394 116 117 CYS HB3 H 2.845 0.000 2 1395 116 117 CYS C C 174.635 0.000 1 1396 116 117 CYS CA C 60.087 0.000 1 1397 116 117 CYS CB C 27.456 0.000 1 1398 116 117 CYS N N 120.777 0.000 1 1399 117 118 ASP H H 8.420 0.000 1 1400 117 118 ASP HA H 4.899 0.000 1 1401 117 118 ASP HB2 H 2.680 0.000 2 1402 117 118 ASP HB3 H 2.869 0.000 2 1403 117 118 ASP C C 176.225 0.000 1 1404 117 118 ASP CA C 53.410 0.000 1 1405 117 118 ASP CB C 40.174 0.006 1 1406 117 118 ASP N N 119.926 0.000 1 1407 118 119 THR H H 7.712 0.000 1 1408 118 119 THR HA H 4.315 0.002 1 1409 118 119 THR HB H 4.200 0.000 1 1410 118 119 THR HG2 H 1.429 0.000 . 1411 118 119 THR C C 175.349 0.000 1 1412 118 119 THR CA C 66.029 0.026 1 1413 118 119 THR CB C 69.654 0.000 1 1414 118 119 THR CG2 C 22.454 0.000 1 1415 118 119 THR N N 116.185 0.000 1 1416 119 120 ASP H H 8.730 0.000 1 1417 119 120 ASP HA H 4.533 0.000 1 1418 119 120 ASP HB2 H 2.703 0.000 2 1419 119 120 ASP HB3 H 2.703 0.000 2 1420 119 120 ASP C C 177.991 0.000 1 1421 119 120 ASP CA C 56.906 0.042 1 1422 119 120 ASP CB C 40.937 0.000 1 1423 119 120 ASP N N 120.938 0.000 1 1424 120 121 ALA H H 8.033 0.000 1 1425 120 121 ALA HA H 4.178 0.000 1 1426 120 121 ALA HB H 1.438 0.000 . 1427 120 121 ALA C C 178.787 0.000 1 1428 120 121 ALA CA C 53.891 0.000 1 1429 120 121 ALA CB C 18.471 0.000 1 1430 120 121 ALA N N 122.818 0.000 1 1431 121 122 ASN H H 8.128 0.000 1 1432 121 122 ASN HA H 4.634 0.000 1 1433 121 122 ASN HB2 H 2.823 0.000 2 1434 121 122 ASN HB3 H 3.101 0.000 2 1435 121 122 ASN HD21 H 7.366 0.000 2 1436 121 122 ASN HD22 H 6.825 0.001 2 1437 121 122 ASN C C 176.235 0.000 1 1438 121 122 ASN CA C 54.496 0.000 1 1439 121 122 ASN CB C 38.889 0.007 1 1440 121 122 ASN CG C 175.845 0.002 1 1441 121 122 ASN N N 116.085 0.000 1 1442 121 122 ASN ND2 N 111.622 0.000 1 1443 122 123 VAL H H 8.262 0.000 1 1444 122 123 VAL HA H 3.962 0.000 1 1445 122 123 VAL HB H 2.061 0.000 1 1446 122 123 VAL HG1 H 0.698 0.000 . 1447 122 123 VAL HG2 H 1.067 0.000 . 1448 122 123 VAL C C 176.973 0.000 1 1449 122 123 VAL CA C 63.916 0.000 1 1450 122 123 VAL CB C 32.895 0.000 1 1451 122 123 VAL CG1 C 21.783 0.000 2 1452 122 123 VAL CG2 C 22.168 0.000 2 1453 122 123 VAL N N 117.803 0.000 1 1454 123 124 GLY H H 8.172 0.000 1 1455 123 124 GLY HA2 H 4.225 0.000 2 1456 123 124 GLY HA3 H 3.888 0.000 . 1457 123 124 GLY C C 174.107 0.000 1 1458 123 124 GLY CA C 45.401 0.008 1 1459 123 124 GLY N N 110.472 0.000 1 1460 124 125 SER H H 8.139 0.000 1 1461 124 125 SER HA H 4.529 0.000 1 1462 124 125 SER HB2 H 3.850 0.000 2 1463 124 125 SER HB3 H 3.904 0.000 2 1464 124 125 SER C C 174.664 0.000 1 1465 124 125 SER CA C 58.981 0.000 1 1466 124 125 SER CB C 64.492 0.002 1 1467 124 125 SER N N 113.065 0.000 1 1468 125 126 ASP H H 8.146 0.000 1 1469 125 126 ASP HA H 4.707 0.000 1 1470 125 126 ASP HB2 H 2.744 0.000 2 1471 125 126 ASP HB3 H 2.837 0.000 2 1472 125 126 ASP C C 177.029 0.000 1 1473 125 126 ASP CA C 54.232 0.000 1 1474 125 126 ASP CB C 40.878 0.000 1 1475 125 126 ASP N N 121.312 0.000 1 1476 126 127 VAL H H 8.474 0.000 1 1477 126 127 VAL HA H 3.826 0.000 1 1478 126 127 VAL HB H 2.076 0.000 1 1479 126 127 VAL HG1 H 0.938 0.000 . 1480 126 127 VAL HG2 H 1.050 0.000 . 1481 126 127 VAL C C 177.304 0.000 1 1482 126 127 VAL CA C 65.899 0.000 1 1483 126 127 VAL CB C 32.222 0.000 1 1484 126 127 VAL CG1 C 21.107 0.000 2 1485 126 127 VAL CG2 C 22.146 0.000 2 1486 126 127 VAL N N 123.444 0.000 1 1487 127 128 GLU H H 8.504 0.000 1 1488 127 128 GLU HA H 3.933 0.000 1 1489 127 128 GLU HB2 H 1.723 0.000 2 1490 127 128 GLU HB3 H 1.894 0.000 2 1491 127 128 GLU HG2 H 1.860 0.000 2 1492 127 128 GLU HG3 H 2.057 0.000 2 1493 127 128 GLU CA C 58.660 0.000 1 1494 127 128 GLU CB C 29.080 0.000 1 1495 127 128 GLU CG C 36.082 0.003 1 1496 127 128 GLU N N 120.874 0.000 1 1497 128 129 HIS HA H 4.749 0.000 1 1498 128 129 HIS HB2 H 3.151 0.000 2 1499 128 129 HIS HB3 H 3.449 0.000 2 1500 128 129 HIS HD2 H 7.127 0.001 1 1501 128 129 HIS HE1 H 8.027 0.000 1 1502 128 129 HIS C C 174.898 0.000 1 1503 128 129 HIS CA C 56.448 0.000 1 1504 128 129 HIS CB C 29.045 0.022 1 1505 128 129 HIS CD2 C 119.016 0.000 1 1506 128 129 HIS CE1 C 137.698 0.000 1 1507 129 130 TYR H H 8.118 0.000 1 1508 129 130 TYR HA H 4.000 0.000 1 1509 129 130 TYR HB2 H 3.077 0.000 2 1510 129 130 TYR HB3 H 3.600 0.000 2 1511 129 130 TYR HD1 H 6.895 0.001 3 1512 129 130 TYR HD2 H 6.895 0.001 3 1513 129 130 TYR HE1 H 6.622 0.001 3 1514 129 130 TYR HE2 H 6.622 0.001 3 1515 129 130 TYR C C 178.544 0.000 1 1516 129 130 TYR CA C 62.108 0.000 1 1517 129 130 TYR CB C 39.542 0.020 1 1518 129 130 TYR CD2 C 132.913 0.000 3 1519 129 130 TYR CE2 C 117.965 0.000 3 1520 129 130 TYR N N 122.615 0.000 1 1521 130 131 LEU H H 9.092 0.000 1 1522 130 131 LEU HA H 4.349 0.000 1 1523 130 131 LEU HB2 H 1.852 0.000 2 1524 130 131 LEU HB3 H 1.852 0.000 2 1525 130 131 LEU HG H 1.856 0.000 1 1526 130 131 LEU HD1 H 0.760 0.000 . 1527 130 131 LEU HD2 H 0.861 0.000 . 1528 130 131 LEU C C 179.368 0.000 1 1529 130 131 LEU CA C 58.816 0.000 1 1530 130 131 LEU CB C 41.369 0.000 1 1531 130 131 LEU CG C 28.917 0.000 1 1532 130 131 LEU CD1 C 24.927 0.000 2 1533 130 131 LEU CD2 C 25.503 0.000 2 1534 130 131 LEU N N 116.037 0.000 1 1535 131 132 THR H H 8.129 0.000 1 1536 131 132 THR HA H 4.007 0.000 1 1537 131 132 THR HB H 4.271 0.000 1 1538 131 132 THR HG2 H 1.227 0.000 . 1539 131 132 THR C C 177.255 0.000 1 1540 131 132 THR CA C 66.505 0.000 1 1541 131 132 THR CB C 68.052 0.000 1 1542 131 132 THR CG2 C 22.200 0.000 1 1543 131 132 THR N N 113.629 0.000 1 1544 132 133 ARG H H 8.187 0.000 1 1545 132 133 ARG HA H 4.116 0.000 1 1546 132 133 ARG HB2 H 1.895 0.000 2 1547 132 133 ARG HB3 H 2.021 0.000 2 1548 132 133 ARG HG2 H 1.604 0.000 2 1549 132 133 ARG HG3 H 1.987 0.000 2 1550 132 133 ARG HD2 H 3.305 0.000 2 1551 132 133 ARG HD3 H 3.409 0.000 2 1552 132 133 ARG C C 178.921 0.000 1 1553 132 133 ARG CA C 60.037 0.000 1 1554 132 133 ARG CB C 30.274 0.001 1 1555 132 133 ARG CG C 27.627 0.014 1 1556 132 133 ARG CD C 43.296 0.001 1 1557 132 133 ARG N N 124.720 0.000 1 1558 133 134 TRP H H 9.167 0.000 1 1559 133 134 TRP HA H 4.227 0.000 1 1560 133 134 TRP HB2 H 3.210 0.000 2 1561 133 134 TRP HB3 H 3.682 0.000 2 1562 133 134 TRP HD1 H 7.005 0.005 1 1563 133 134 TRP HE1 H 9.186 0.000 1 1564 133 134 TRP HE3 H 7.726 0.000 1 1565 133 134 TRP HZ2 H 6.845 0.000 1 1566 133 134 TRP HZ3 H 6.839 0.000 1 1567 133 134 TRP HH2 H 6.970 0.000 1 1568 133 134 TRP C C 177.823 0.000 1 1569 133 134 TRP CA C 62.470 0.000 1 1570 133 134 TRP CB C 28.755 0.020 1 1571 133 134 TRP CD1 C 127.312 0.000 1 1572 133 134 TRP CE3 C 120.232 0.000 1 1573 133 134 TRP CZ2 C 114.047 0.000 1 1574 133 134 TRP CZ3 C 119.969 0.000 1 1575 133 134 TRP CH2 C 123.745 0.000 1 1576 133 134 TRP N N 120.307 0.000 1 1577 133 134 TRP NE1 N 130.666 0.000 1 1578 134 135 ILE H H 9.000 0.000 1 1579 134 135 ILE HA H 3.583 0.000 1 1580 134 135 ILE HB H 2.133 0.000 1 1581 134 135 ILE HG12 H 1.345 0.000 2 1582 134 135 ILE HG13 H 1.479 0.000 2 1583 134 135 ILE HG2 H 1.204 0.000 . 1584 134 135 ILE HD1 H 0.730 0.000 . 1585 134 135 ILE C C 176.333 0.000 1 1586 134 135 ILE CA C 60.708 0.000 1 1587 134 135 ILE CB C 37.133 0.000 1 1588 134 135 ILE CG1 C 29.654 0.004 1 1589 134 135 ILE CG2 C 20.638 0.000 1 1590 134 135 ILE CD1 C 13.458 0.000 1 1591 134 135 ILE N N 117.595 0.000 1 1592 135 136 SER H H 7.592 0.000 1 1593 135 136 SER HA H 3.931 0.000 1 1594 135 136 SER HB2 H 3.838 0.000 2 1595 135 136 SER HB3 H 4.024 0.000 2 1596 135 136 SER C C 174.339 0.000 1 1597 135 136 SER CA C 62.535 0.000 1 1598 135 136 SER CB C 62.820 0.010 1 1599 135 136 SER N N 116.548 0.000 1 1600 136 137 LEU H H 7.247 0.000 1 1601 136 137 LEU HA H 4.197 0.000 1 1602 136 137 LEU HB2 H 1.686 0.000 2 1603 136 137 LEU HB3 H 1.754 0.000 2 1604 136 137 LEU HG H 1.477 0.000 1 1605 136 137 LEU HD1 H 0.876 0.000 . 1606 136 137 LEU HD2 H 0.889 0.000 . 1607 136 137 LEU C C 178.376 0.000 1 1608 136 137 LEU CA C 57.116 0.000 1 1609 136 137 LEU CB C 42.988 0.002 1 1610 136 137 LEU CG C 26.831 0.000 1 1611 136 137 LEU CD1 C 24.860 0.000 2 1612 136 137 LEU CD2 C 24.284 0.000 2 1613 136 137 LEU N N 119.693 0.000 1 1614 137 138 TYR H H 8.057 0.000 1 1615 137 138 TYR HA H 3.644 0.000 1 1616 137 138 TYR HB2 H 2.013 0.000 2 1617 137 138 TYR HB3 H 2.235 0.000 2 1618 137 138 TYR HD1 H 7.150 0.000 3 1619 137 138 TYR HD2 H 7.150 0.000 3 1620 137 138 TYR HE1 H 6.877 0.000 3 1621 137 138 TYR HE2 H 6.877 0.000 3 1622 137 138 TYR C C 178.142 0.000 1 1623 137 138 TYR CA C 61.396 0.000 1 1624 137 138 TYR CB C 37.907 0.000 1 1625 137 138 TYR CD2 C 133.421 0.000 3 1626 137 138 TYR CE2 C 118.530 0.000 3 1627 137 138 TYR N N 116.295 0.000 1 1628 138 139 ILE H H 8.371 0.000 1 1629 138 139 ILE HA H 3.818 0.000 1 1630 138 139 ILE HB H 1.649 0.000 1 1631 138 139 ILE HG12 H 0.679 0.000 2 1632 138 139 ILE HG13 H 0.948 0.000 2 1633 138 139 ILE HG2 H 0.121 0.000 . 1634 138 139 ILE HD1 H 0.289 0.000 . 1635 138 139 ILE C C 176.943 0.000 1 1636 138 139 ILE CA C 61.684 0.000 1 1637 138 139 ILE CB C 36.768 0.000 1 1638 138 139 ILE CG1 C 28.498 0.002 1 1639 138 139 ILE CG2 C 18.159 0.000 1 1640 138 139 ILE CD1 C 12.526 0.000 1 1641 138 139 ILE N N 117.755 0.000 1 1642 139 140 ARG H H 6.762 0.000 1 1643 139 140 ARG HA H 4.075 0.000 1 1644 139 140 ARG HB2 H 1.778 0.000 2 1645 139 140 ARG HB3 H 1.886 0.000 2 1646 139 140 ARG HG2 H 1.756 0.000 2 1647 139 140 ARG HG3 H 1.838 0.000 2 1648 139 140 ARG HD2 H 3.274 0.000 2 1649 139 140 ARG HD3 H 3.328 0.000 2 1650 139 140 ARG HE H 7.140 0.000 1 1651 139 140 ARG C C 176.776 0.000 1 1652 139 140 ARG CA C 57.529 0.000 1 1653 139 140 ARG CB C 29.841 0.002 1 1654 139 140 ARG CG C 28.057 0.004 1 1655 139 140 ARG CD C 43.722 0.007 1 1656 139 140 ARG CZ C 159.552 0.000 1 1657 139 140 ARG N N 118.103 0.000 1 1658 139 140 ARG NE N 84.508 0.000 1 1659 140 141 ILE H H 7.056 0.000 1 1660 140 141 ILE HA H 3.771 0.000 1 1661 140 141 ILE HB H 0.888 0.000 1 1662 140 141 ILE HG12 H 0.663 0.000 2 1663 140 141 ILE HG13 H 1.204 0.000 2 1664 140 141 ILE HG2 H -0.167 0.000 . 1665 140 141 ILE HD1 H 0.196 0.000 . 1666 140 141 ILE C C 176.448 0.000 1 1667 140 141 ILE CA C 63.370 0.000 1 1668 140 141 ILE CB C 38.819 0.000 1 1669 140 141 ILE CG1 C 28.593 0.016 1 1670 140 141 ILE CG2 C 17.152 0.000 1 1671 140 141 ILE CD1 C 13.737 0.000 1 1672 140 141 ILE N N 117.603 0.000 1 1673 141 142 PHE H H 7.287 0.000 1 1674 141 142 PHE HA H 4.394 0.000 1 1675 141 142 PHE HB2 H 2.940 0.000 2 1676 141 142 PHE HB3 H 3.225 0.000 2 1677 141 142 PHE HD1 H 7.005 0.001 3 1678 141 142 PHE HD2 H 7.005 0.001 3 1679 141 142 PHE HE1 H 6.401 0.002 3 1680 141 142 PHE HE2 H 6.401 0.002 3 1681 141 142 PHE HZ H 6.533 0.000 1 1682 141 142 PHE C C 175.503 0.000 1 1683 141 142 PHE CA C 58.126 0.000 1 1684 141 142 PHE CB C 40.438 0.016 1 1685 141 142 PHE CD1 C 132.144 0.000 3 1686 141 142 PHE CE1 C 130.739 0.000 3 1687 141 142 PHE CZ C 129.206 0.000 1 1688 141 142 PHE N N 114.969 0.000 1 1689 142 143 ASP H H 7.697 0.000 1 1690 142 143 ASP HA H 4.745 0.000 1 1691 142 143 ASP HB2 H 2.826 0.000 2 1692 142 143 ASP HB3 H 2.948 0.000 2 1693 142 143 ASP C C 175.131 0.000 1 1694 142 143 ASP CA C 54.013 0.000 1 1695 142 143 ASP CB C 42.996 0.003 1 1696 142 143 ASP N N 116.492 0.000 1 1697 143 144 LEU H H 8.790 0.000 1 1698 143 144 LEU HA H 4.186 0.000 1 1699 143 144 LEU HB2 H 1.623 0.000 2 1700 143 144 LEU HB3 H 1.687 0.000 2 1701 143 144 LEU HG H 1.736 0.000 1 1702 143 144 LEU HD1 H 0.862 0.000 . 1703 143 144 LEU HD2 H 0.891 0.000 . 1704 143 144 LEU C C 177.297 0.000 1 1705 143 144 LEU CA C 56.940 0.000 1 1706 143 144 LEU CB C 42.609 0.005 1 1707 143 144 LEU CG C 26.994 0.000 1 1708 143 144 LEU CD1 C 24.758 0.000 2 1709 143 144 LEU CD2 C 24.236 0.000 2 1710 143 144 LEU N N 126.435 0.000 1 1711 144 145 ASN H H 8.569 0.000 1 1712 144 145 ASN HA H 4.823 0.000 1 1713 144 145 ASN HB2 H 2.840 0.000 2 1714 144 145 ASN HB3 H 3.005 0.000 2 1715 144 145 ASN HD21 H 7.856 0.001 2 1716 144 145 ASN HD22 H 7.002 0.001 2 1717 144 145 ASN C C 174.879 0.000 1 1718 144 145 ASN CA C 53.151 0.000 1 1719 144 145 ASN CB C 39.695 0.003 1 1720 144 145 ASN CG C 177.347 0.020 1 1721 144 145 ASN N N 114.711 0.000 1 1722 144 145 ASN ND2 N 114.147 0.001 1 1723 145 146 PHE H H 7.214 0.000 1 1724 145 146 PHE HA H 4.509 0.000 1 1725 145 146 PHE HB2 H 2.434 0.000 2 1726 145 146 PHE HB3 H 2.681 0.000 2 1727 145 146 PHE HD1 H 6.764 0.000 3 1728 145 146 PHE HD2 H 6.764 0.000 3 1729 145 146 PHE HE1 H 6.844 0.004 3 1730 145 146 PHE HE2 H 6.844 0.004 3 1731 145 146 PHE HZ H 7.053 0.000 1 1732 145 146 PHE C C 173.397 0.000 1 1733 145 146 PHE CA C 57.895 0.000 1 1734 145 146 PHE CB C 38.987 0.019 1 1735 145 146 PHE CD2 C 131.662 0.000 3 1736 145 146 PHE CE2 C 130.016 0.000 3 1737 145 146 PHE CZ C 128.912 0.000 1 1738 145 146 PHE N N 121.472 0.000 1 1739 146 147 VAL H H 7.666 0.000 1 1740 146 147 VAL HA H 4.072 0.000 1 1741 146 147 VAL HB H 1.839 0.000 1 1742 146 147 VAL HG1 H 0.760 0.000 . 1743 146 147 VAL HG2 H 0.790 0.000 . 1744 146 147 VAL CA C 58.698 0.000 1 1745 146 147 VAL CB C 33.469 0.000 1 1746 146 147 VAL CG1 C 20.269 0.000 2 1747 146 147 VAL CG2 C 21.038 0.000 2 1748 146 147 VAL N N 128.813 0.000 1 1749 147 148 PRO HA H 3.828 0.000 1 1750 147 148 PRO HB2 H 1.951 0.000 2 1751 147 148 PRO HB3 H 1.812 0.000 2 1752 147 148 PRO HG2 H 1.546 0.000 2 1753 147 148 PRO HG3 H 1.823 0.000 2 1754 147 148 PRO HD2 H 2.959 0.000 2 1755 147 148 PRO HD3 H 3.456 0.000 2 1756 147 148 PRO CA C 64.305 0.000 1 1757 147 148 PRO CB C 32.070 0.006 1 1758 147 148 PRO CG C 26.858 0.002 1 1759 147 148 PRO CD C 50.111 0.000 1 stop_ save_