data_25350 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of PsbQ from spinacia oleracea ; _BMRB_accession_number 25350 _BMRB_flat_file_name bmr25350.str _Entry_type original _Submission_date 2014-11-19 _Accession_date 2014-11-19 _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 Rathner Petr . . 2 Mueller Norbert . . 3 Wimmer Reinhard . . 4 Chandra Kousik . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 770 "13C chemical shifts" 638 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-19 update BMRB 'update entry citation' 2015-07-27 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17357 'PsbQ protein' stop_ _Original_release_date 2015-07-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR and molecular dynamics reveal a persistent alpha helix within the dynamic region of PsbQ from photosystem II of higher plants ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26138376 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rathner Petr . . 2 Walnerova Adriana . . 3 Hornicakova Michaela . . 4 Wohlschlager Christian . . 5 Chandra Kousik . . 6 Kohoutova Jaroslava . . 7 Ettrich Ruediger . . 8 Wimmer Reinhard . . 9 Mueller Norbert . . stop_ _Journal_abbreviation Proteins _Journal_volume 83 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1677 _Page_last 1686 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PsbQ from spinacia oleracea' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PsbQ $PsbQ 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_PsbQ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PsbQ _Molecular_mass 16544.906 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; EARPIVVGPPPPLSGGLPGT ENSDQARDGTLPYTKDRFYL QPLPPTEAAQRAKVSASEIL NVKQFIDRKAWPSLQNDLRL RASYLRYDLKTVISAKPKDE KKSLQELTSKLFSSIDNLDH AAKIKSPTEAEKYYGQTVSN INEVLAKLG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLU 2 2 ALA 3 3 ARG 4 4 PRO 5 5 ILE 6 6 VAL 7 7 VAL 8 8 GLY 9 9 PRO 10 10 PRO 11 11 PRO 12 12 PRO 13 13 LEU 14 14 SER 15 15 GLY 16 16 GLY 17 17 LEU 18 18 PRO 19 19 GLY 20 20 THR 21 21 GLU 22 22 ASN 23 23 SER 24 24 ASP 25 25 GLN 26 26 ALA 27 27 ARG 28 28 ASP 29 29 GLY 30 30 THR 31 31 LEU 32 32 PRO 33 33 TYR 34 34 THR 35 35 LYS 36 36 ASP 37 37 ARG 38 38 PHE 39 39 TYR 40 40 LEU 41 41 GLN 42 42 PRO 43 43 LEU 44 44 PRO 45 45 PRO 46 46 THR 47 47 GLU 48 48 ALA 49 49 ALA 50 50 GLN 51 51 ARG 52 52 ALA 53 53 LYS 54 54 VAL 55 55 SER 56 56 ALA 57 57 SER 58 58 GLU 59 59 ILE 60 60 LEU 61 61 ASN 62 62 VAL 63 63 LYS 64 64 GLN 65 65 PHE 66 66 ILE 67 67 ASP 68 68 ARG 69 69 LYS 70 70 ALA 71 71 TRP 72 72 PRO 73 73 SER 74 74 LEU 75 75 GLN 76 76 ASN 77 77 ASP 78 78 LEU 79 79 ARG 80 80 LEU 81 81 ARG 82 82 ALA 83 83 SER 84 84 TYR 85 85 LEU 86 86 ARG 87 87 TYR 88 88 ASP 89 89 LEU 90 90 LYS 91 91 THR 92 92 VAL 93 93 ILE 94 94 SER 95 95 ALA 96 96 LYS 97 97 PRO 98 98 LYS 99 99 ASP 100 100 GLU 101 101 LYS 102 102 LYS 103 103 SER 104 104 LEU 105 105 GLN 106 106 GLU 107 107 LEU 108 108 THR 109 109 SER 110 110 LYS 111 111 LEU 112 112 PHE 113 113 SER 114 114 SER 115 115 ILE 116 116 ASP 117 117 ASN 118 118 LEU 119 119 ASP 120 120 HIS 121 121 ALA 122 122 ALA 123 123 LYS 124 124 ILE 125 125 LYS 126 126 SER 127 127 PRO 128 128 THR 129 129 GLU 130 130 ALA 131 131 GLU 132 132 LYS 133 133 TYR 134 134 TYR 135 135 GLY 136 136 GLN 137 137 THR 138 138 VAL 139 139 SER 140 140 ASN 141 141 ILE 142 142 ASN 143 143 GLU 144 144 VAL 145 145 LEU 146 146 ALA 147 147 LYS 148 148 LEU 149 149 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PsbQ spinach 3562 Eukaryota Viridiplantae spinacia oleracea 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 $PsbQ 'recombinant technology' . Escherichia coli . JR2592 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PsbQ 0.8 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 50 uM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PsbQ 0.8 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 50 uM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' 'structure solution' stop_ _Details . save_ save_YASARA _Saveframe_category software _Name YASARA _Version 12.1.19 loop_ _Vendor _Address _Electronic_address 'YASARA Biosciences' . . stop_ loop_ _Task 'geometry optimization' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVIII _Field_strength 700 _Details 'TCI cryoprobe' 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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HC(C)H-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)C(C)(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(C)(CO)NH' _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_HC(C)H-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-COSY' _Sample_label $sample_1 save_ save_3D_TOCSY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TOCSY-HSQC' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 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' 0.06 . M pH 7.0 . pH pressure 1 . atm temperature 298.15 . 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 CBCA(CO)NH' '3D HC(C)H-TOCSY' '3D (H)C(C)(CO)NH' '3D HBHA(CO)NH' '3D HC(C)H-COSY' '3D TOCSY-HSQC' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' 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 PsbQ _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLU HA H 4.290 0.020 1 2 1 1 GLU HB2 H 2.051 0.020 1 3 1 1 GLU HB3 H 1.947 0.020 1 4 1 1 GLU HG2 H 2.291 0.020 1 5 1 1 GLU C C 175.743 0.300 1 6 1 1 GLU CA C 56.149 0.300 1 7 1 1 GLU CB C 30.084 0.300 1 8 1 1 GLU CG C 36.445 0.300 1 9 2 2 ALA H H 8.532 0.020 1 10 2 2 ALA HA H 4.294 0.020 1 11 2 2 ALA HB H 1.384 0.020 1 12 2 2 ALA C C 177.285 0.300 1 13 2 2 ALA CA C 52.361 0.300 1 14 2 2 ALA CB C 19.135 0.300 1 15 2 2 ALA N N 126.317 0.300 1 16 3 3 ARG H H 8.365 0.020 1 17 3 3 ARG HA H 4.549 0.020 1 18 3 3 ARG HB2 H 2.070 0.020 1 19 3 3 ARG C C 174.172 0.300 1 20 3 3 ARG CA C 53.157 0.300 1 21 3 3 ARG CB C 33.689 0.300 1 22 3 3 ARG N N 122.153 0.300 1 23 4 4 PRO HA H 4.421 0.020 1 24 4 4 PRO HB2 H 2.268 0.020 1 25 4 4 PRO HB3 H 1.840 0.020 1 26 4 4 PRO HG2 H 2.012 0.020 1 27 4 4 PRO HG3 H 1.949 0.020 1 28 4 4 PRO HD2 H 3.788 0.020 1 29 4 4 PRO HD3 H 3.608 0.020 1 30 4 4 PRO C C 176.611 0.300 1 31 4 4 PRO CA C 62.896 0.300 1 32 4 4 PRO CB C 31.678 0.300 1 33 4 4 PRO CG C 27.028 0.300 1 34 4 4 PRO CD C 50.320 0.300 1 35 4 4 PRO N N 137.044 0.300 1 36 5 5 ILE H H 8.299 0.020 1 37 5 5 ILE HA H 4.132 0.020 1 38 5 5 ILE HB H 1.803 0.020 1 39 5 5 ILE HG12 H 1.498 0.020 1 40 5 5 ILE HG13 H 1.205 0.020 1 41 5 5 ILE HG2 H 0.879 0.020 1 42 5 5 ILE HD1 H 0.853 0.020 1 43 5 5 ILE C C 176.192 0.300 1 44 5 5 ILE CA C 61.082 0.300 1 45 5 5 ILE CB C 38.567 0.300 1 46 5 5 ILE CG1 C 27.300 0.300 1 47 5 5 ILE CG2 C 17.394 0.300 1 48 5 5 ILE CD1 C 12.607 0.300 1 49 5 5 ILE N N 121.708 0.300 1 50 6 6 VAL H H 8.276 0.020 1 51 6 6 VAL HA H 4.143 0.020 1 52 6 6 VAL HB H 1.975 0.020 1 53 6 6 VAL HG1 H 0.918 0.020 1 54 6 6 VAL C C 175.804 0.300 1 55 6 6 VAL CA C 62.102 0.300 1 56 6 6 VAL CB C 32.651 0.300 1 57 6 6 VAL CG1 C 20.792 0.300 1 58 6 6 VAL N N 125.784 0.300 1 59 7 7 VAL H H 8.373 0.020 1 60 7 7 VAL HA H 4.139 0.020 1 61 7 7 VAL HB H 2.040 0.020 1 62 7 7 VAL HG1 H 0.930 0.020 1 63 7 7 VAL HG2 H 0.921 0.020 1 64 7 7 VAL C C 176.092 0.300 1 65 7 7 VAL CA C 62.148 0.300 1 66 7 7 VAL CB C 32.425 0.300 1 67 7 7 VAL CG1 C 20.965 0.300 1 68 7 7 VAL CG2 C 20.476 0.300 1 69 7 7 VAL N N 125.834 0.300 1 70 8 8 GLY H H 8.329 0.020 1 71 8 8 GLY HA2 H 4.154 0.020 1 72 8 8 GLY HA3 H 3.994 0.020 1 73 8 8 GLY C C 170.954 0.300 1 74 8 8 GLY CA C 44.175 0.300 1 75 8 8 GLY N N 113.433 0.300 1 76 9 9 PRO C C 174.457 0.300 1 77 9 9 PRO CA C 61.279 0.300 1 78 9 9 PRO CB C 30.772 0.300 1 79 9 9 PRO N N 135.780 0.300 1 80 10 10 PRO C C 174.298 0.300 1 81 10 10 PRO CA C 61.352 0.300 1 82 10 10 PRO CB C 30.301 0.300 1 83 10 10 PRO N N 136.956 0.300 1 84 11 11 PRO C C 174.799 0.300 1 85 11 11 PRO CA C 61.382 0.300 1 86 11 11 PRO CB C 30.856 0.300 1 87 11 11 PRO N N 136.418 0.300 1 88 12 12 PRO HA H 4.420 0.020 1 89 12 12 PRO HB2 H 2.262 0.020 1 90 12 12 PRO HB3 H 1.848 0.020 1 91 12 12 PRO HG2 H 1.996 0.020 1 92 12 12 PRO HG3 H 1.976 0.020 1 93 12 12 PRO HD2 H 3.790 0.020 1 94 12 12 PRO HD3 H 3.599 0.020 1 95 12 12 PRO C C 177.050 0.300 1 96 12 12 PRO CA C 62.755 0.300 1 97 12 12 PRO CB C 31.867 0.300 1 98 12 12 PRO CG C 27.319 0.300 1 99 12 12 PRO CD C 50.243 0.300 1 100 12 12 PRO N N 135.006 0.300 1 101 13 13 LEU H H 8.390 0.020 1 102 13 13 LEU HA H 4.318 0.020 1 103 13 13 LEU HB2 H 1.643 0.020 1 104 13 13 LEU HB3 H 1.578 0.020 1 105 13 13 LEU HG H 1.650 0.020 1 106 13 13 LEU HD1 H 0.905 0.020 1 107 13 13 LEU HD2 H 0.877 0.020 1 108 13 13 LEU C C 177.667 0.300 1 109 13 13 LEU CA C 55.337 0.300 1 110 13 13 LEU CB C 42.132 0.300 1 111 13 13 LEU CG C 27.002 0.300 1 112 13 13 LEU CD1 C 24.788 0.300 1 113 13 13 LEU CD2 C 23.394 0.300 1 114 13 13 LEU N N 122.277 0.300 1 115 14 14 SER H H 8.314 0.020 1 116 14 14 SER HA H 4.429 0.020 1 117 14 14 SER HB2 H 3.845 0.020 1 118 14 14 SER HB3 H 3.845 0.020 1 119 14 14 SER C C 175.007 0.300 1 120 14 14 SER CA C 58.305 0.300 1 121 14 14 SER CB C 63.438 0.300 1 122 14 14 SER N N 116.217 0.300 1 123 15 15 GLY H H 8.436 0.020 1 124 15 15 GLY HA2 H 3.986 0.020 1 125 15 15 GLY HA3 H 3.938 0.020 1 126 15 15 GLY C C 174.457 0.300 1 127 15 15 GLY CA C 45.504 0.300 1 128 15 15 GLY N N 110.768 0.300 1 129 16 16 GLY H H 8.237 0.020 1 130 16 16 GLY HA2 H 3.960 0.020 1 131 16 16 GLY HA3 H 3.902 0.020 1 132 16 16 GLY C C 173.717 0.300 1 133 16 16 GLY CA C 44.746 0.300 1 134 16 16 GLY N N 108.501 0.300 1 135 17 17 LEU H H 8.180 0.020 1 136 17 17 LEU HA H 4.572 0.020 1 137 17 17 LEU HB2 H 1.587 0.020 1 138 17 17 LEU HB3 H 1.587 0.020 1 139 17 17 LEU HG H 1.659 0.020 1 140 17 17 LEU HD1 H 0.920 0.020 1 141 17 17 LEU HD2 H 0.875 0.020 1 142 17 17 LEU C C 175.465 0.300 1 143 17 17 LEU CA C 53.334 0.300 1 144 17 17 LEU CB C 41.527 0.300 1 145 17 17 LEU CG C 26.592 0.300 1 146 17 17 LEU CD1 C 24.970 0.300 1 147 17 17 LEU CD2 C 23.004 0.300 1 148 17 17 LEU N N 122.717 0.300 1 149 18 18 PRO HA H 4.425 0.020 1 150 18 18 PRO HB2 H 2.274 0.020 1 151 18 18 PRO HB3 H 1.924 0.020 1 152 18 18 PRO HG2 H 2.090 0.020 1 153 18 18 PRO HG3 H 1.990 0.020 1 154 18 18 PRO HD2 H 3.788 0.020 1 155 18 18 PRO HD3 H 3.788 0.020 1 156 18 18 PRO C C 177.505 0.300 1 157 18 18 PRO CA C 63.535 0.300 1 158 18 18 PRO CB C 31.827 0.300 1 159 18 18 PRO CG C 27.414 0.300 1 160 18 18 PRO CD C 50.571 0.300 1 161 18 18 PRO N N 136.735 0.300 1 162 19 19 GLY H H 8.614 0.020 1 163 19 19 GLY HA2 H 3.998 0.020 1 164 19 19 GLY HA3 H 3.967 0.020 1 165 19 19 GLY C C 174.710 0.300 1 166 19 19 GLY CA C 45.378 0.300 1 167 19 19 GLY N N 109.845 0.300 1 168 20 20 THR H H 8.011 0.020 1 169 20 20 THR HA H 4.362 0.020 1 170 20 20 THR HB H 4.272 0.020 1 171 20 20 THR HG2 H 1.188 0.020 1 172 20 20 THR C C 174.913 0.300 1 173 20 20 THR CA C 61.852 0.300 1 174 20 20 THR CB C 69.803 0.300 1 175 20 20 THR CG2 C 21.486 0.300 1 176 20 20 THR N N 112.697 0.300 1 177 21 21 GLU H H 8.735 0.020 1 178 21 21 GLU HA H 4.282 0.020 1 179 21 21 GLU HB2 H 1.944 0.020 1 180 21 21 GLU HB3 H 2.038 0.020 1 181 21 21 GLU HG2 H 2.273 0.020 1 182 21 21 GLU C C 176.296 0.300 1 183 21 21 GLU CA C 56.965 0.300 1 184 21 21 GLU CB C 29.941 0.300 1 185 21 21 GLU CG C 36.077 0.300 1 186 21 21 GLU N N 123.233 0.300 1 187 22 22 ASN H H 8.511 0.020 1 188 22 22 ASN HA H 4.735 0.020 1 189 22 22 ASN HB2 H 2.843 0.020 1 190 22 22 ASN HB3 H 2.749 0.020 1 191 22 22 ASN C C 175.406 0.300 1 192 22 22 ASN CA C 53.283 0.300 1 193 22 22 ASN CB C 38.855 0.300 1 194 22 22 ASN N N 119.605 0.300 1 195 23 23 SER H H 8.335 0.020 1 196 23 23 SER HA H 4.411 0.020 1 197 23 23 SER HB2 H 3.927 0.020 1 198 23 23 SER HB3 H 3.839 0.020 1 199 23 23 SER C C 174.597 0.300 1 200 23 23 SER CA C 58.700 0.300 1 201 23 23 SER CB C 63.811 0.300 1 202 23 23 SER N N 116.810 0.300 1 203 24 24 ASP H H 8.456 0.020 1 204 24 24 ASP HA H 4.574 0.020 1 205 24 24 ASP HB2 H 2.701 0.020 1 206 24 24 ASP HB3 H 2.647 0.020 1 207 24 24 ASP C C 176.498 0.300 1 208 24 24 ASP CA C 54.905 0.300 1 209 24 24 ASP CB C 40.902 0.300 1 210 24 24 ASP N N 122.299 0.300 1 211 25 25 GLN H H 8.188 0.020 1 212 25 25 GLN HA H 4.237 0.020 1 213 25 25 GLN HB2 H 2.117 0.020 1 214 25 25 GLN HB3 H 1.970 0.020 1 215 25 25 GLN HG2 H 2.356 0.020 1 216 25 25 GLN HE21 H 6.852 0.020 1 217 25 25 GLN C C 176.011 0.300 1 218 25 25 GLN CA C 56.173 0.300 1 219 25 25 GLN CB C 29.127 0.300 1 220 25 25 GLN CG C 33.792 0.300 1 221 25 25 GLN N N 120.032 0.300 1 222 25 25 GLN NE2 N 112.542 0.300 1 223 26 26 ALA H H 8.242 0.020 1 224 26 26 ALA HA H 4.266 0.020 1 225 26 26 ALA HB H 1.377 0.020 1 226 26 26 ALA C C 178.001 0.300 1 227 26 26 ALA CA C 52.623 0.300 1 228 26 26 ALA CB C 18.752 0.300 1 229 26 26 ALA N N 124.260 0.300 1 230 27 27 ARG H H 8.206 0.020 1 231 27 27 ARG HA H 4.293 0.020 1 232 27 27 ARG HB2 H 1.840 0.020 1 233 27 27 ARG HG2 H 1.639 0.020 1 234 27 27 ARG HD2 H 3.148 0.020 1 235 27 27 ARG C C 176.263 0.300 1 236 27 27 ARG CA C 56.166 0.300 1 237 27 27 ARG CB C 30.610 0.300 1 238 27 27 ARG CG C 27.064 0.300 1 239 27 27 ARG CD C 43.414 0.300 1 240 27 27 ARG N N 120.165 0.300 1 241 28 28 ASP H H 8.318 0.020 1 242 28 28 ASP HA H 4.578 0.020 1 243 28 28 ASP HB2 H 2.708 0.020 1 244 28 28 ASP HB3 H 2.657 0.020 1 245 28 28 ASP C C 176.867 0.300 1 246 28 28 ASP CA C 54.304 0.300 1 247 28 28 ASP CB C 40.980 0.300 1 248 28 28 ASP N N 120.786 0.300 1 249 29 29 GLY H H 8.381 0.020 1 250 29 29 GLY HA2 H 4.013 0.020 1 251 29 29 GLY HA3 H 3.962 0.020 1 252 29 29 GLY C C 174.550 0.300 1 253 29 29 GLY CA C 45.371 0.300 1 254 29 29 GLY N N 109.645 0.300 1 255 30 30 THR H H 8.118 0.020 1 256 30 30 THR HA H 4.279 0.020 1 257 30 30 THR HB H 4.178 0.020 1 258 30 30 THR HG2 H 1.186 0.020 1 259 30 30 THR C C 174.550 0.300 1 260 30 30 THR CA C 62.197 0.300 1 261 30 30 THR CB C 69.834 0.300 1 262 30 30 THR CG2 C 21.615 0.300 1 263 30 30 THR N N 113.478 0.300 1 264 31 31 LEU H H 8.164 0.020 1 265 31 31 LEU HA H 4.605 0.020 1 266 31 31 LEU HB2 H 1.580 0.020 1 267 31 31 LEU HB3 H 1.433 0.020 1 268 31 31 LEU HG H 1.650 0.020 1 269 31 31 LEU HD1 H 0.910 0.020 1 270 31 31 LEU HD2 H 0.870 0.020 1 271 31 31 LEU C C 175.354 0.300 1 272 31 31 LEU CA C 52.903 0.300 1 273 31 31 LEU CB C 41.753 0.300 1 274 31 31 LEU CG C 26.859 0.300 1 275 31 31 LEU CD1 C 24.979 0.300 1 276 31 31 LEU CD2 C 23.211 0.300 1 277 31 31 LEU N N 125.438 0.300 1 278 32 32 PRO HA H 4.355 0.020 1 279 32 32 PRO HB2 H 1.768 0.020 1 280 32 32 PRO HB3 H 2.176 0.020 1 281 32 32 PRO HG2 H 1.942 0.020 1 282 32 32 PRO HD2 H 3.793 0.020 1 283 32 32 PRO HD3 H 3.543 0.020 1 284 32 32 PRO C C 176.448 0.300 1 285 32 32 PRO CA C 63.183 0.300 1 286 32 32 PRO CB C 31.672 0.300 1 287 32 32 PRO CG C 27.233 0.300 1 288 32 32 PRO CD C 50.372 0.300 1 289 32 32 PRO N N 135.635 0.300 1 290 33 33 TYR H H 8.099 0.020 1 291 33 33 TYR HA H 4.558 0.020 1 292 33 33 TYR HB2 H 2.980 0.020 1 293 33 33 TYR HB3 H 2.980 0.020 1 294 33 33 TYR HD2 H 7.057 0.020 1 295 33 33 TYR HE2 H 6.774 0.020 1 296 33 33 TYR C C 175.914 0.300 1 297 33 33 TYR CA C 57.839 0.300 1 298 33 33 TYR CB C 38.335 0.300 1 299 33 33 TYR CD2 C 133.017 0.300 1 300 33 33 TYR CE2 C 118.612 0.300 1 301 33 33 TYR N N 119.769 0.300 1 302 34 34 THR H H 7.839 0.020 1 303 34 34 THR HA H 4.258 0.020 1 304 34 34 THR HB H 4.179 0.020 1 305 34 34 THR HG2 H 1.125 0.020 1 306 34 34 THR C C 174.362 0.300 1 307 34 34 THR CA C 61.462 0.300 1 308 34 34 THR CB C 70.050 0.300 1 309 34 34 THR CG2 C 21.476 0.300 1 310 34 34 THR N N 115.311 0.300 1 311 35 35 LYS H H 8.205 0.020 1 312 35 35 LYS HA H 4.192 0.020 1 313 35 35 LYS HB2 H 1.822 0.020 1 314 35 35 LYS HB3 H 1.740 0.020 1 315 35 35 LYS HG2 H 1.417 0.020 1 316 35 35 LYS HD2 H 1.625 0.020 1 317 35 35 LYS HD3 H 1.625 0.020 1 318 35 35 LYS HE2 H 2.948 0.020 1 319 35 35 LYS HE3 H 3.034 0.020 1 320 35 35 LYS CA C 56.453 0.300 1 321 35 35 LYS CB C 32.750 0.300 1 322 35 35 LYS CG C 24.420 0.300 1 323 35 35 LYS CD C 29.149 0.300 1 324 35 35 LYS CE C 41.973 0.300 1 325 35 35 LYS N N 122.839 0.300 1 326 36 36 ASP H H 7.999 0.020 1 327 36 36 ASP HA H 4.455 0.020 1 328 36 36 ASP HB2 H 2.552 0.020 1 329 36 36 ASP HB3 H 2.552 0.020 1 330 36 36 ASP C C 178.037 0.300 1 331 36 36 ASP CA C 57.893 0.300 1 332 36 36 ASP CB C 42.373 0.300 1 333 37 37 ARG H H 8.917 0.020 1 334 37 37 ARG HA H 3.801 0.020 1 335 37 37 ARG HB2 H 1.751 0.020 1 336 37 37 ARG HB3 H 1.799 0.020 1 337 37 37 ARG HG2 H 1.202 0.020 1 338 37 37 ARG HD2 H 2.782 0.020 1 339 37 37 ARG C C 178.008 0.300 1 340 37 37 ARG CA C 60.013 0.300 1 341 37 37 ARG CB C 30.442 0.300 1 342 37 37 ARG CG C 27.358 0.300 1 343 37 37 ARG N N 118.703 0.300 1 344 38 38 PHE H H 7.572 0.020 1 345 38 38 PHE HA H 4.103 0.020 1 346 38 38 PHE HB2 H 3.200 0.020 1 347 38 38 PHE HB3 H 3.270 0.020 1 348 38 38 PHE HD2 H 7.093 0.020 1 349 38 38 PHE HE1 H 6.710 0.020 1 350 38 38 PHE HE2 H 7.100 0.020 1 351 38 38 PHE C C 178.384 0.300 1 352 38 38 PHE CA C 61.864 0.300 1 353 38 38 PHE CB C 39.203 0.300 1 354 38 38 PHE CD2 C 132.884 0.300 1 355 38 38 PHE CE1 C 133.457 0.300 1 356 38 38 PHE CE2 C 133.279 0.300 1 357 38 38 PHE N N 117.884 0.300 1 358 39 39 TYR H H 7.776 0.020 1 359 39 39 TYR HA H 4.490 0.020 1 360 39 39 TYR HB2 H 2.631 0.020 1 361 39 39 TYR HB3 H 2.692 0.020 1 362 39 39 TYR HD2 H 6.893 0.020 1 363 39 39 TYR HE2 H 6.607 0.020 1 364 39 39 TYR C C 179.544 0.300 1 365 39 39 TYR CA C 57.673 0.300 1 366 39 39 TYR CB C 40.834 0.300 1 367 39 39 TYR CD2 C 123.458 0.300 1 368 39 39 TYR CE2 C 118.183 0.300 1 369 39 39 TYR N N 117.866 0.300 1 370 40 40 LEU H H 8.987 0.020 1 371 40 40 LEU HA H 4.078 0.020 1 372 40 40 LEU HB2 H 2.152 0.020 1 373 40 40 LEU HB3 H 2.152 0.020 1 374 40 40 LEU HG H 1.727 0.020 1 375 40 40 LEU HD1 H 1.089 0.020 1 376 40 40 LEU HD2 H 1.059 0.020 1 377 40 40 LEU CA C 58.104 0.300 1 378 40 40 LEU CB C 40.334 0.300 1 379 40 40 LEU CG C 26.245 0.300 1 380 40 40 LEU CD1 C 24.188 0.300 1 381 40 40 LEU CD2 C 22.424 0.300 1 382 40 40 LEU N N 119.124 0.300 1 383 41 41 GLN C C 173.826 0.300 1 384 41 41 GLN CA C 53.329 0.300 1 385 41 41 GLN CB C 29.121 0.300 1 386 42 42 PRO HA H 4.591 0.020 1 387 42 42 PRO HB2 H 2.331 0.020 1 388 42 42 PRO HB3 H 1.867 0.020 1 389 42 42 PRO HG2 H 2.025 0.020 1 390 42 42 PRO HD2 H 3.853 0.020 1 391 42 42 PRO HD3 H 3.700 0.020 1 392 42 42 PRO C C 176.576 0.300 1 393 42 42 PRO CA C 63.414 0.300 1 394 42 42 PRO CB C 32.219 0.300 1 395 42 42 PRO CG C 27.174 0.300 1 396 42 42 PRO CD C 50.526 0.300 1 397 42 42 PRO N N 138.337 0.300 1 398 43 43 LEU H H 8.436 0.020 1 399 43 43 LEU HA H 4.950 0.020 1 400 43 43 LEU HB2 H 1.471 0.020 1 401 43 43 LEU HB3 H 1.380 0.020 1 402 43 43 LEU HG H 2.063 0.020 1 403 43 43 LEU HD1 H 0.916 0.020 1 404 43 43 LEU HD2 H 0.696 0.020 1 405 43 43 LEU C C 174.668 0.300 1 406 43 43 LEU CA C 51.693 0.300 1 407 43 43 LEU CB C 44.496 0.300 1 408 43 43 LEU CG C 26.904 0.300 1 409 43 43 LEU CD1 C 24.885 0.300 1 410 43 43 LEU CD2 C 23.258 0.300 1 411 43 43 LEU N N 123.140 0.300 1 412 44 44 PRO C C 175.261 0.300 1 413 44 44 PRO CA C 61.348 0.300 1 414 44 44 PRO CB C 30.811 0.300 1 415 44 44 PRO N N 133.601 0.300 1 416 45 45 PRO HA H 3.991 0.020 1 417 45 45 PRO HB2 H 2.258 0.020 1 418 45 45 PRO HB3 H 2.087 0.020 1 419 45 45 PRO C C 178.342 0.300 1 420 45 45 PRO CA C 66.710 0.300 1 421 45 45 PRO CB C 32.245 0.300 1 422 45 45 PRO N N 133.441 0.300 1 423 46 46 THR H H 8.726 0.020 1 424 46 46 THR HA H 3.987 0.020 1 425 46 46 THR HB H 4.171 0.020 1 426 46 46 THR HG2 H 1.269 0.020 1 427 46 46 THR C C 176.671 0.300 1 428 46 46 THR CA C 66.476 0.300 1 429 46 46 THR CB C 67.881 0.300 1 430 46 46 THR CG2 C 22.006 0.300 1 431 46 46 THR N N 113.415 0.300 1 432 47 47 GLU H H 7.788 0.020 1 433 47 47 GLU HA H 4.151 0.020 1 434 47 47 GLU HB2 H 2.186 0.020 1 435 47 47 GLU HB3 H 2.035 0.020 1 436 47 47 GLU HG2 H 2.417 0.020 1 437 47 47 GLU HG3 H 2.267 0.020 1 438 47 47 GLU C C 179.288 0.300 1 439 47 47 GLU CA C 59.399 0.300 1 440 47 47 GLU CB C 30.240 0.300 1 441 47 47 GLU CG C 37.055 0.300 1 442 47 47 GLU N N 122.656 0.300 1 443 48 48 ALA H H 9.216 0.020 1 444 48 48 ALA HA H 3.988 0.020 1 445 48 48 ALA HB H 1.466 0.020 1 446 48 48 ALA C C 179.169 0.300 1 447 48 48 ALA CA C 55.177 0.300 1 448 48 48 ALA CB C 18.095 0.300 1 449 48 48 ALA N N 125.745 0.300 1 450 49 49 ALA H H 7.876 0.020 1 451 49 49 ALA HA H 3.861 0.020 1 452 49 49 ALA HB H 1.560 0.020 1 453 49 49 ALA C C 178.795 0.300 1 454 49 49 ALA CA C 55.351 0.300 1 455 49 49 ALA CB C 17.829 0.300 1 456 49 49 ALA N N 118.860 0.300 1 457 50 50 GLN H H 7.077 0.020 1 458 50 50 GLN HA H 4.083 0.020 1 459 50 50 GLN HB2 H 2.202 0.020 1 460 50 50 GLN HB3 H 2.166 0.020 1 461 50 50 GLN HG2 H 2.564 0.020 1 462 50 50 GLN HE22 H 7.453 0.020 1 463 50 50 GLN C C 178.779 0.300 1 464 50 50 GLN CA C 58.164 0.300 1 465 50 50 GLN CB C 27.727 0.300 1 466 50 50 GLN CG C 33.197 0.300 1 467 50 50 GLN N N 114.588 0.300 1 468 51 51 ARG H H 8.050 0.020 1 469 51 51 ARG HA H 4.130 0.020 1 470 51 51 ARG HB2 H 2.361 0.020 1 471 51 51 ARG HG2 H 1.416 0.020 1 472 51 51 ARG HG3 H 0.836 0.020 1 473 51 51 ARG HD2 H 3.137 0.020 1 474 51 51 ARG HD3 H 2.985 0.020 1 475 51 51 ARG C C 178.701 0.300 1 476 51 51 ARG CA C 60.411 0.300 1 477 51 51 ARG CB C 29.239 0.300 1 478 51 51 ARG CG C 26.793 0.300 1 479 51 51 ARG CD C 43.166 0.300 1 480 51 51 ARG N N 122.658 0.300 1 481 52 52 ALA H H 8.776 0.020 1 482 52 52 ALA HA H 4.198 0.020 1 483 52 52 ALA HB H 1.445 0.020 1 484 52 52 ALA C C 179.455 0.300 1 485 52 52 ALA CA C 54.248 0.300 1 486 52 52 ALA CB C 17.359 0.300 1 487 52 52 ALA N N 122.617 0.300 1 488 53 53 LYS H H 7.559 0.020 1 489 53 53 LYS HA H 3.809 0.020 1 490 53 53 LYS HB2 H 1.976 0.020 1 491 53 53 LYS HB3 H 1.976 0.020 1 492 53 53 LYS HG2 H 1.316 0.020 1 493 53 53 LYS HD2 H 1.900 0.020 1 494 53 53 LYS HD3 H 1.900 0.020 1 495 53 53 LYS HE2 H 3.127 0.020 1 496 53 53 LYS HE3 H 3.082 0.020 1 497 53 53 LYS C C 179.741 0.300 1 498 53 53 LYS CA C 60.418 0.300 1 499 53 53 LYS CB C 32.119 0.300 1 500 53 53 LYS CG C 25.350 0.300 1 501 53 53 LYS CD C 29.745 0.300 1 502 53 53 LYS CE C 42.133 0.300 1 503 53 53 LYS N N 115.660 0.300 1 504 54 54 VAL H H 7.532 0.020 1 505 54 54 VAL HA H 3.742 0.020 1 506 54 54 VAL HB H 2.470 0.020 1 507 54 54 VAL HG1 H 1.132 0.020 1 508 54 54 VAL HG2 H 0.985 0.020 1 509 54 54 VAL C C 179.383 0.300 1 510 54 54 VAL CA C 66.732 0.300 1 511 54 54 VAL CB C 31.122 0.300 1 512 54 54 VAL CG1 C 22.110 0.300 1 513 54 54 VAL CG2 C 21.239 0.300 1 514 54 54 VAL N N 121.965 0.300 1 515 55 55 SER H H 8.796 0.020 1 516 55 55 SER HA H 4.189 0.020 1 517 55 55 SER HB2 H 4.016 0.020 1 518 55 55 SER C C 176.311 0.300 1 519 55 55 SER CA C 62.031 0.300 1 520 55 55 SER CB C 62.481 0.300 1 521 55 55 SER N N 118.423 0.300 1 522 56 56 ALA H H 8.946 0.020 1 523 56 56 ALA HA H 3.988 0.020 1 524 56 56 ALA HB H 1.516 0.020 1 525 56 56 ALA C C 178.860 0.300 1 526 56 56 ALA CA C 55.387 0.300 1 527 56 56 ALA CB C 17.976 0.300 1 528 56 56 ALA N N 121.540 0.300 1 529 57 57 SER H H 7.914 0.020 1 530 57 57 SER HA H 4.383 0.020 1 531 57 57 SER HB2 H 4.070 0.020 1 532 57 57 SER HB3 H 3.736 0.020 1 533 57 57 SER C C 177.322 0.300 1 534 57 57 SER CA C 62.036 0.300 1 535 57 57 SER CB C 62.812 0.300 1 536 57 57 SER N N 113.374 0.300 1 537 58 58 GLU H H 8.141 0.020 1 538 58 58 GLU HA H 4.157 0.020 1 539 58 58 GLU HB2 H 2.141 0.020 1 540 58 58 GLU HG2 H 2.518 0.020 1 541 58 58 GLU HG3 H 2.275 0.020 1 542 58 58 GLU C C 180.669 0.300 1 543 58 58 GLU CA C 59.268 0.300 1 544 58 58 GLU CB C 32.639 0.300 1 545 58 58 GLU CG C 36.547 0.300 1 546 58 58 GLU N N 121.798 0.300 1 547 59 59 ILE H H 8.048 0.020 1 548 59 59 ILE HA H 3.788 0.020 1 549 59 59 ILE HB H 2.175 0.020 1 550 59 59 ILE HG12 H 0.989 0.020 1 551 59 59 ILE HG2 H 0.779 0.020 1 552 59 59 ILE HD1 H 0.775 0.020 1 553 59 59 ILE C C 177.566 0.300 1 554 59 59 ILE CA C 65.564 0.300 1 555 59 59 ILE CB C 36.539 0.300 1 556 59 59 ILE CG1 C 30.735 0.300 1 557 59 59 ILE CG2 C 16.655 0.300 1 558 59 59 ILE CD1 C 13.532 0.300 1 559 59 59 ILE N N 122.257 0.300 1 560 60 60 LEU H H 7.680 0.020 1 561 60 60 LEU HA H 4.182 0.020 1 562 60 60 LEU HB2 H 2.147 0.020 1 563 60 60 LEU HB3 H 1.677 0.020 1 564 60 60 LEU HG H 1.954 0.020 1 565 60 60 LEU HD1 H 0.997 0.020 1 566 60 60 LEU HD2 H 0.872 0.020 1 567 60 60 LEU C C 180.571 0.300 1 568 60 60 LEU CA C 57.879 0.300 1 569 60 60 LEU CB C 40.654 0.300 1 570 60 60 LEU CG C 26.965 0.300 1 571 60 60 LEU CD1 C 25.077 0.300 1 572 60 60 LEU CD2 C 24.217 0.300 1 573 60 60 LEU N N 117.387 0.300 1 574 61 61 ASN H H 7.649 0.020 1 575 61 61 ASN HA H 4.878 0.020 1 576 61 61 ASN HB2 H 3.048 0.020 1 577 61 61 ASN HB3 H 2.950 0.020 1 578 61 61 ASN C C 176.499 0.300 1 579 61 61 ASN CA C 54.041 0.300 1 580 61 61 ASN CB C 38.248 0.300 1 581 61 61 ASN N N 115.815 0.300 1 582 62 62 VAL H H 8.077 0.020 1 583 62 62 VAL HA H 4.478 0.020 1 584 62 62 VAL HB H 2.888 0.020 1 585 62 62 VAL HG1 H 1.393 0.020 1 586 62 62 VAL HG2 H 1.452 0.020 1 587 62 62 VAL C C 177.001 0.300 1 588 62 62 VAL CA C 63.379 0.300 1 589 62 62 VAL CB C 31.839 0.300 1 590 62 62 VAL CG1 C 18.353 0.300 1 591 62 62 VAL CG2 C 20.284 0.300 1 592 62 62 VAL N N 113.212 0.300 1 593 63 63 LYS H H 7.065 0.020 1 594 63 63 LYS HA H 3.284 0.020 1 595 63 63 LYS HB2 H 1.688 0.020 1 596 63 63 LYS HB3 H 1.499 0.020 1 597 63 63 LYS HG2 H 1.372 0.020 1 598 63 63 LYS HG3 H 1.155 0.020 1 599 63 63 LYS HD2 H 1.182 0.020 1 600 63 63 LYS HD3 H 1.050 0.020 1 601 63 63 LYS HE2 H 2.586 0.020 1 602 63 63 LYS HE3 H 2.519 0.020 1 603 63 63 LYS C C 177.215 0.300 1 604 63 63 LYS CA C 58.637 0.300 1 605 63 63 LYS CB C 31.376 0.300 1 606 63 63 LYS CG C 23.869 0.300 1 607 63 63 LYS CD C 28.457 0.300 1 608 63 63 LYS CE C 42.073 0.300 1 609 63 63 LYS N N 122.802 0.300 1 610 64 64 GLN H H 7.633 0.020 1 611 64 64 GLN HA H 4.067 0.020 1 612 64 64 GLN HB2 H 1.800 0.020 1 613 64 64 GLN HB3 H 1.762 0.020 1 614 64 64 GLN HG2 H 2.232 0.020 1 615 64 64 GLN HG3 H 2.175 0.020 1 616 64 64 GLN C C 177.275 0.300 1 617 64 64 GLN CA C 58.142 0.300 1 618 64 64 GLN CB C 27.096 0.300 1 619 64 64 GLN CG C 31.888 0.300 1 620 64 64 GLN N N 115.109 0.300 1 621 65 65 PHE H H 7.171 0.020 1 622 65 65 PHE HA H 4.327 0.020 1 623 65 65 PHE HB2 H 3.398 0.020 1 624 65 65 PHE HB3 H 2.894 0.020 1 625 65 65 PHE HD1 H 7.173 0.020 1 626 65 65 PHE HD2 H 7.173 0.020 1 627 65 65 PHE HE1 H 7.443 0.020 1 628 65 65 PHE HZ H 6.604 0.020 1 629 65 65 PHE C C 177.929 0.300 1 630 65 65 PHE CA C 58.959 0.300 1 631 65 65 PHE CB C 39.117 0.300 1 632 65 65 PHE CD1 C 130.066 0.300 1 633 65 65 PHE CD2 C 130.418 0.300 1 634 65 65 PHE CE1 C 131.928 0.300 1 635 65 65 PHE CZ C 120.022 0.300 1 636 65 65 PHE N N 117.172 0.300 1 637 66 66 ILE H H 7.381 0.020 1 638 66 66 ILE HA H 3.263 0.020 1 639 66 66 ILE HB H 1.958 0.020 1 640 66 66 ILE HG12 H 1.215 0.020 1 641 66 66 ILE HG13 H 1.170 0.020 1 642 66 66 ILE HG2 H 0.951 0.020 1 643 66 66 ILE HD1 H 0.746 0.020 1 644 66 66 ILE C C 174.811 0.300 1 645 66 66 ILE CA C 65.540 0.300 1 646 66 66 ILE CB C 37.624 0.300 1 647 66 66 ILE CG1 C 31.687 0.300 1 648 66 66 ILE CG2 C 17.162 0.300 1 649 66 66 ILE CD1 C 14.374 0.300 1 650 66 66 ILE N N 120.163 0.300 1 651 67 67 ASP H H 7.014 0.020 1 652 67 67 ASP HA H 4.223 0.020 1 653 67 67 ASP HB2 H 2.544 0.020 1 654 67 67 ASP HB3 H 2.544 0.020 1 655 67 67 ASP C C 177.672 0.300 1 656 67 67 ASP CA C 57.242 0.300 1 657 67 67 ASP CB C 39.807 0.300 1 658 67 67 ASP N N 112.431 0.300 1 659 68 68 ARG H H 6.901 0.020 1 660 68 68 ARG HA H 4.257 0.020 1 661 68 68 ARG HB2 H 1.942 0.020 1 662 68 68 ARG HB3 H 1.544 0.020 1 663 68 68 ARG HG2 H 1.651 0.020 1 664 68 68 ARG HD2 H 3.120 0.020 1 665 68 68 ARG HD3 H 3.168 0.020 1 666 68 68 ARG C C 174.692 0.300 1 667 68 68 ARG CA C 55.374 0.300 1 668 68 68 ARG CB C 31.191 0.300 1 669 68 68 ARG CG C 27.355 0.300 1 670 68 68 ARG CD C 43.699 0.300 1 671 68 68 ARG N N 113.824 0.300 1 672 69 69 LYS H H 7.576 0.020 1 673 69 69 LYS HA H 4.238 0.020 1 674 69 69 LYS HB2 H 2.097 0.020 1 675 69 69 LYS HB3 H 1.944 0.020 1 676 69 69 LYS HG2 H 1.375 0.020 1 677 69 69 LYS HG3 H 1.375 0.020 1 678 69 69 LYS HD2 H 1.563 0.020 1 679 69 69 LYS HD3 H 1.758 0.020 1 680 69 69 LYS HE2 H 3.051 0.020 1 681 69 69 LYS HE3 H 3.051 0.020 1 682 69 69 LYS C C 174.137 0.300 1 683 69 69 LYS CA C 56.617 0.300 1 684 69 69 LYS CB C 28.499 0.300 1 685 69 69 LYS CG C 24.662 0.300 1 686 69 69 LYS CD C 32.636 0.300 1 687 69 69 LYS CE C 42.359 0.300 1 688 69 69 LYS N N 118.878 0.300 1 689 70 70 ALA H H 8.021 0.020 1 690 70 70 ALA HA H 4.576 0.020 1 691 70 70 ALA HB H 1.272 0.020 1 692 70 70 ALA C C 177.429 0.300 1 693 70 70 ALA CA C 48.979 0.300 1 694 70 70 ALA CB C 17.116 0.300 1 695 70 70 ALA N N 122.931 0.300 1 696 71 71 TRP H H 7.039 0.020 1 697 71 71 TRP HA H 4.464 0.020 1 698 71 71 TRP HB2 H 1.960 0.020 1 699 71 71 TRP HB3 H 1.758 0.020 1 700 71 71 TRP HD1 H 7.442 0.020 1 701 71 71 TRP HE3 H 7.444 0.020 1 702 71 71 TRP HZ3 H 7.239 0.020 1 703 71 71 TRP C C 175.088 0.300 1 704 71 71 TRP CA C 61.247 0.300 1 705 71 71 TRP CB C 27.683 0.300 1 706 71 71 TRP CD1 C 129.461 0.300 1 707 71 71 TRP CE3 C 128.925 0.300 1 708 71 71 TRP CZ3 C 113.579 0.300 1 709 71 71 TRP N N 119.538 0.300 1 710 72 72 PRO C C 179.767 0.300 1 711 72 72 PRO CA C 65.943 0.300 1 712 72 72 PRO CB C 29.987 0.300 1 713 72 72 PRO N N 136.568 0.300 1 714 74 74 LEU H H 7.243 0.020 1 715 74 74 LEU HA H 3.888 0.020 1 716 74 74 LEU HB2 H 1.064 0.020 1 717 74 74 LEU HB3 H 1.064 0.020 1 718 74 74 LEU HG H 1.048 0.020 1 719 74 74 LEU HD1 H 0.479 0.020 1 720 74 74 LEU HD2 H 0.403 0.020 1 721 74 74 LEU CA C 53.960 0.300 1 722 74 74 LEU CB C 42.570 0.300 1 723 74 74 LEU CG C 26.018 0.300 1 724 74 74 LEU CD1 C 24.638 0.300 1 725 74 74 LEU CD2 C 23.254 0.300 1 726 75 75 GLN H H 7.778 0.020 1 727 75 75 GLN HA H 3.960 0.020 1 728 75 75 GLN C C 177.566 0.300 1 729 75 75 GLN CA C 62.216 0.300 1 730 75 75 GLN N N 112.641 0.300 1 731 76 76 ASN H H 7.840 0.020 1 732 76 76 ASN HA H 4.476 0.020 1 733 76 76 ASN HB2 H 3.317 0.020 1 734 76 76 ASN HB3 H 3.167 0.020 1 735 76 76 ASN HD21 H 6.932 0.020 1 736 76 76 ASN HD22 H 6.932 0.020 1 737 76 76 ASN C C 179.848 0.300 1 738 76 76 ASN CA C 58.720 0.300 1 739 76 76 ASN CB C 36.814 0.300 1 740 76 76 ASN N N 122.906 0.300 1 741 77 77 ASP H H 8.751 0.020 1 742 77 77 ASP HA H 4.456 0.020 1 743 77 77 ASP HB2 H 2.651 0.020 1 744 77 77 ASP HB3 H 2.550 0.020 1 745 77 77 ASP C C 178.326 0.300 1 746 77 77 ASP CA C 58.238 0.300 1 747 77 77 ASP CB C 41.976 0.300 1 748 77 77 ASP N N 122.220 0.300 1 749 78 78 LEU H H 8.679 0.020 1 750 78 78 LEU HA H 4.011 0.020 1 751 78 78 LEU HB2 H 2.064 0.020 1 752 78 78 LEU HB3 H 1.738 0.020 1 753 78 78 LEU HD1 H 1.083 0.020 1 754 78 78 LEU HD2 H 1.083 0.020 1 755 78 78 LEU C C 178.037 0.300 1 756 78 78 LEU CA C 58.337 0.300 1 757 78 78 LEU CB C 43.220 0.300 1 758 78 78 LEU CG C 25.852 0.300 1 759 78 78 LEU CD1 C 23.735 0.300 1 760 78 78 LEU N N 117.943 0.300 1 761 79 79 ARG H H 8.019 0.020 1 762 79 79 ARG HA H 3.986 0.020 1 763 79 79 ARG HB2 H 1.889 0.020 1 764 79 79 ARG HB3 H 1.889 0.020 1 765 79 79 ARG HG2 H 1.625 0.020 1 766 79 79 ARG HG3 H 1.625 0.020 1 767 79 79 ARG HD2 H 3.153 0.020 1 768 79 79 ARG C C 179.640 0.300 1 769 79 79 ARG CA C 59.449 0.300 1 770 79 79 ARG CB C 30.038 0.300 1 771 79 79 ARG CG C 27.593 0.300 1 772 79 79 ARG CD C 43.576 0.300 1 773 79 79 ARG N N 115.864 0.300 1 774 80 80 LEU H H 7.417 0.020 1 775 80 80 LEU HA H 3.921 0.020 1 776 80 80 LEU HB2 H 1.778 0.020 1 777 80 80 LEU HB3 H 1.605 0.020 1 778 80 80 LEU HG H 1.105 0.020 1 779 80 80 LEU HD1 H 0.784 0.020 1 780 80 80 LEU HD2 H 0.702 0.020 1 781 80 80 LEU C C 178.661 0.300 1 782 80 80 LEU CA C 57.886 0.300 1 783 80 80 LEU CB C 42.408 0.300 1 784 80 80 LEU CG C 26.017 0.300 1 785 80 80 LEU CD1 C 24.919 0.300 1 786 80 80 LEU CD2 C 23.446 0.300 1 787 80 80 LEU N N 120.372 0.300 1 788 81 81 ARG H H 8.397 0.020 1 789 81 81 ARG HA H 3.915 0.020 1 790 81 81 ARG HB3 H 1.890 0.020 1 791 81 81 ARG HG2 H 1.699 0.020 1 792 81 81 ARG HG3 H 1.699 0.020 1 793 81 81 ARG HD2 H 3.243 0.020 1 794 81 81 ARG C C 179.411 0.300 1 795 81 81 ARG CA C 57.912 0.300 1 796 81 81 ARG CB C 29.374 0.300 1 797 81 81 ARG CG C 26.118 0.300 1 798 81 81 ARG CD C 41.895 0.300 1 799 81 81 ARG N N 114.977 0.300 1 800 82 82 ALA H H 9.140 0.020 1 801 82 82 ALA HA H 4.181 0.020 1 802 82 82 ALA HB H 1.686 0.020 1 803 82 82 ALA C C 179.414 0.300 1 804 82 82 ALA CA C 55.488 0.300 1 805 82 82 ALA CB C 18.698 0.300 1 806 82 82 ALA N N 119.805 0.300 1 807 83 83 SER H H 7.751 0.020 1 808 83 83 SER HA H 4.253 0.020 1 809 83 83 SER HB2 H 4.026 0.020 1 810 83 83 SER HB3 H 4.026 0.020 1 811 83 83 SER C C 179.787 0.300 1 812 83 83 SER CA C 61.927 0.300 1 813 83 83 SER CB C 62.704 0.300 1 814 83 83 SER N N 114.702 0.300 1 815 84 84 TYR H H 7.045 0.020 1 816 84 84 TYR HA H 3.286 0.020 1 817 84 84 TYR HB2 H 1.675 0.020 1 818 84 84 TYR C C 175.253 0.300 1 819 84 84 TYR CA C 59.142 0.300 1 820 84 84 TYR CB C 42.023 0.300 1 821 84 84 TYR N N 113.337 0.300 1 822 85 85 LEU H H 7.817 0.020 1 823 85 85 LEU HA H 3.793 0.020 1 824 85 85 LEU HB2 H 2.365 0.020 1 825 85 85 LEU HB3 H 1.578 0.020 1 826 85 85 LEU HG H 1.736 0.020 1 827 85 85 LEU HD1 H 1.097 0.020 1 828 85 85 LEU HD2 H 1.180 0.020 1 829 85 85 LEU C C 177.337 0.300 1 830 85 85 LEU CA C 59.137 0.300 1 831 85 85 LEU CB C 41.724 0.300 1 832 85 85 LEU CG C 28.679 0.300 1 833 85 85 LEU CD1 C 24.526 0.300 1 834 85 85 LEU CD2 C 25.833 0.300 1 835 85 85 LEU N N 121.592 0.300 1 836 86 86 ARG H H 8.091 0.020 1 837 86 86 ARG HA H 3.836 0.020 1 838 86 86 ARG HB2 H 1.929 0.020 1 839 86 86 ARG HB3 H 2.182 0.020 1 840 86 86 ARG HG2 H 1.495 0.020 1 841 86 86 ARG HD2 H 2.973 0.020 1 842 86 86 ARG C C 178.060 0.300 1 843 86 86 ARG CA C 60.211 0.300 1 844 86 86 ARG CB C 30.005 0.300 1 845 86 86 ARG CG C 24.288 0.300 1 846 86 86 ARG CD C 42.142 0.300 1 847 86 86 ARG N N 115.275 0.300 1 848 87 87 TYR H H 8.164 0.020 1 849 87 87 TYR HA H 4.340 0.020 1 850 87 87 TYR HB2 H 2.769 0.020 1 851 87 87 TYR HB3 H 2.732 0.020 1 852 87 87 TYR HD1 H 6.915 0.020 1 853 87 87 TYR HD2 H 7.036 0.020 1 854 87 87 TYR HE2 H 6.708 0.020 1 855 87 87 TYR C C 177.599 0.300 1 856 87 87 TYR CA C 56.443 0.300 1 857 87 87 TYR CB C 38.864 0.300 1 858 87 87 TYR CD1 C 133.045 0.300 1 859 87 87 TYR CE2 C 118.489 0.300 1 860 87 87 TYR N N 115.945 0.300 1 861 88 88 ASP H H 8.021 0.020 1 862 88 88 ASP HA H 4.440 0.020 1 863 88 88 ASP HB2 H 2.647 0.020 1 864 88 88 ASP HB3 H 2.554 0.020 1 865 88 88 ASP C C 178.265 0.300 1 866 88 88 ASP CA C 57.924 0.300 1 867 88 88 ASP CB C 42.144 0.300 1 868 88 88 ASP N N 120.649 0.300 1 869 89 89 LEU H H 8.665 0.020 1 870 89 89 LEU HA H 4.003 0.020 1 871 89 89 LEU HB2 H 2.203 0.020 1 872 89 89 LEU HG H 1.718 0.020 1 873 89 89 LEU HD1 H 1.080 0.020 1 874 89 89 LEU C C 178.075 0.300 1 875 89 89 LEU CA C 58.794 0.300 1 876 89 89 LEU CB C 42.181 0.300 1 877 89 89 LEU CG C 26.499 0.300 1 878 89 89 LEU CD1 C 23.907 0.300 1 879 89 89 LEU N N 118.115 0.300 1 880 90 90 LYS H H 8.002 0.020 1 881 90 90 LYS HA H 3.980 0.020 1 882 90 90 LYS HB2 H 1.907 0.020 1 883 90 90 LYS HB3 H 1.907 0.020 1 884 90 90 LYS HG2 H 1.782 0.020 1 885 90 90 LYS HG3 H 1.782 0.020 1 886 90 90 LYS HD2 H 1.546 0.020 1 887 90 90 LYS C C 179.669 0.300 1 888 90 90 LYS CA C 60.118 0.300 1 889 90 90 LYS CB C 31.763 0.300 1 890 90 90 LYS CG C 25.064 0.300 1 891 90 90 LYS CD C 29.370 0.300 1 892 90 90 LYS CE C 41.957 0.300 1 893 90 90 LYS N N 115.802 0.300 1 894 91 91 THR H H 7.365 0.020 1 895 91 91 THR HA H 3.838 0.020 1 896 91 91 THR HB H 4.321 0.020 1 897 91 91 THR HG2 H 1.269 0.020 1 898 91 91 THR C C 179.536 0.300 1 899 91 91 THR CA C 66.719 0.300 1 900 91 91 THR CB C 68.426 0.300 1 901 91 91 THR CG2 C 21.429 0.300 1 902 91 91 THR N N 117.273 0.300 1 903 92 92 VAL H H 7.964 0.020 1 904 92 92 VAL HA H 3.419 0.020 1 905 92 92 VAL HB H 2.160 0.020 1 906 92 92 VAL HG1 H 1.060 0.020 1 907 92 92 VAL HG2 H 0.903 0.020 1 908 92 92 VAL C C 178.807 0.300 1 909 92 92 VAL CA C 67.210 0.300 1 910 92 92 VAL CB C 32.308 0.300 1 911 92 92 VAL CG1 C 22.221 0.300 1 912 92 92 VAL CG2 C 21.294 0.300 1 913 92 92 VAL N N 118.866 0.300 1 914 93 93 ILE H H 8.976 0.020 1 915 93 93 ILE HA H 3.378 0.020 1 916 93 93 ILE HB H 1.903 0.020 1 917 93 93 ILE HG12 H 0.830 0.020 1 918 93 93 ILE HG13 H 0.806 0.020 1 919 93 93 ILE HG2 H 0.954 0.020 1 920 93 93 ILE HD1 H 0.837 0.020 1 921 93 93 ILE C C 178.037 0.300 1 922 93 93 ILE CA C 66.531 0.300 1 923 93 93 ILE CB C 38.361 0.300 1 924 93 93 ILE CG1 C 31.732 0.300 1 925 93 93 ILE CG2 C 18.306 0.300 1 926 93 93 ILE CD1 C 13.723 0.300 1 927 93 93 ILE N N 118.869 0.300 1 928 94 94 SER H H 7.757 0.020 1 929 94 94 SER HA H 4.195 0.020 1 930 94 94 SER HB2 H 4.012 0.020 1 931 94 94 SER HB3 H 4.012 0.020 1 932 94 94 SER C C 174.264 0.300 1 933 94 94 SER CA C 61.516 0.300 1 934 94 94 SER CB C 62.949 0.300 1 935 94 94 SER N N 112.225 0.300 1 936 95 95 ALA H H 7.159 0.020 1 937 95 95 ALA HA H 4.556 0.020 1 938 95 95 ALA HB H 1.519 0.020 1 939 95 95 ALA C C 177.789 0.300 1 940 95 95 ALA CA C 51.612 0.300 1 941 95 95 ALA CB C 19.864 0.300 1 942 95 95 ALA N N 121.015 0.300 1 943 96 96 LYS H H 7.439 0.020 1 944 96 96 LYS HA H 3.883 0.020 1 945 96 96 LYS HB2 H 1.727 0.020 1 946 96 96 LYS HB3 H 1.727 0.020 1 947 96 96 LYS HG2 H 1.339 0.020 1 948 96 96 LYS HD2 H 1.682 0.020 1 949 96 96 LYS HD3 H 1.505 0.020 1 950 96 96 LYS HE2 H 3.044 0.020 1 951 96 96 LYS HE3 H 2.946 0.020 1 952 96 96 LYS C C 174.077 0.300 1 953 96 96 LYS CA C 53.400 0.300 1 954 96 96 LYS CB C 32.224 0.300 1 955 96 96 LYS CG C 24.393 0.300 1 956 96 96 LYS CD C 29.128 0.300 1 957 96 96 LYS CE C 41.876 0.300 1 958 96 96 LYS N N 120.570 0.300 1 959 97 97 PRO HA H 4.548 0.020 1 960 97 97 PRO HB2 H 2.459 0.020 1 961 97 97 PRO HG2 H 2.110 0.020 1 962 97 97 PRO HD2 H 3.855 0.020 1 963 97 97 PRO HD3 H 3.855 0.020 1 964 97 97 PRO C C 177.275 0.300 1 965 97 97 PRO CA C 62.529 0.300 1 966 97 97 PRO CB C 32.498 0.300 1 967 97 97 PRO CG C 27.950 0.300 1 968 97 97 PRO CD C 49.790 0.300 1 969 97 97 PRO N N 132.979 0.300 1 970 98 98 LYS H H 8.627 0.020 1 971 98 98 LYS HA H 3.842 0.020 1 972 98 98 LYS HB2 H 1.864 0.020 1 973 98 98 LYS HG2 H 1.541 0.020 1 974 98 98 LYS HG3 H 1.541 0.020 1 975 98 98 LYS HD2 H 1.724 0.020 1 976 98 98 LYS HE2 H 3.072 0.020 1 977 98 98 LYS C C 178.098 0.300 1 978 98 98 LYS CA C 60.907 0.300 1 979 98 98 LYS CB C 32.911 0.300 1 980 98 98 LYS CG C 24.414 0.300 1 981 98 98 LYS CD C 29.318 0.300 1 982 98 98 LYS CE C 41.859 0.300 1 983 98 98 LYS N N 120.567 0.300 1 984 99 99 ASP H H 8.946 0.020 1 985 99 99 ASP HA H 4.491 0.020 1 986 99 99 ASP HB2 H 2.762 0.020 1 987 99 99 ASP HB3 H 2.647 0.020 1 988 99 99 ASP C C 178.051 0.300 1 989 99 99 ASP CA C 57.211 0.300 1 990 99 99 ASP CB C 39.740 0.300 1 991 99 99 ASP N N 117.836 0.300 1 992 100 100 GLU H H 7.844 0.020 1 993 100 100 GLU HA H 4.331 0.020 1 994 100 100 GLU HB2 H 1.908 0.020 1 995 100 100 GLU HG2 H 2.310 0.020 1 996 100 100 GLU HG3 H 2.310 0.020 1 997 100 100 GLU C C 178.194 0.300 1 998 100 100 GLU CA C 57.991 0.300 1 999 100 100 GLU CB C 31.097 0.300 1 1000 100 100 GLU CG C 36.698 0.300 1 1001 100 100 GLU N N 120.622 0.300 1 1002 101 101 LYS H H 8.340 0.020 1 1003 101 101 LYS HA H 3.845 0.020 1 1004 101 101 LYS HB2 H 1.913 0.020 1 1005 101 101 LYS HB3 H 1.913 0.020 1 1006 101 101 LYS HG2 H 1.559 0.020 1 1007 101 101 LYS HD2 H 1.725 0.020 1 1008 101 101 LYS HD3 H 1.725 0.020 1 1009 101 101 LYS HE2 H 2.980 0.020 1 1010 101 101 LYS C C 178.250 0.300 1 1011 101 101 LYS CA C 60.617 0.300 1 1012 101 101 LYS CB C 32.857 0.300 1 1013 101 101 LYS CG C 24.480 0.300 1 1014 101 101 LYS CD C 29.896 0.300 1 1015 101 101 LYS CE C 42.212 0.300 1 1016 101 101 LYS N N 120.722 0.300 1 1017 102 102 LYS H H 7.837 0.020 1 1018 102 102 LYS HA H 4.118 0.020 1 1019 102 102 LYS HB2 H 1.933 0.020 1 1020 102 102 LYS HG2 H 1.550 0.020 1 1021 102 102 LYS HG3 H 1.397 0.020 1 1022 102 102 LYS HD2 H 1.743 0.020 1 1023 102 102 LYS HE2 H 2.994 0.020 1 1024 102 102 LYS HE3 H 2.994 0.020 1 1025 102 102 LYS C C 179.027 0.300 1 1026 102 102 LYS CA C 59.678 0.300 1 1027 102 102 LYS CB C 32.471 0.300 1 1028 102 102 LYS CG C 24.667 0.300 1 1029 102 102 LYS CD C 29.043 0.300 1 1030 102 102 LYS CE C 41.767 0.300 1 1031 102 102 LYS N N 117.984 0.300 1 1032 103 103 SER H H 7.995 0.020 1 1033 103 103 SER HA H 4.307 0.020 1 1034 103 103 SER HB2 H 4.036 0.020 1 1035 103 103 SER HB3 H 4.036 0.020 1 1036 103 103 SER C C 177.670 0.300 1 1037 103 103 SER CA C 61.695 0.300 1 1038 103 103 SER CB C 62.531 0.300 1 1039 103 103 SER N N 113.241 0.300 1 1040 104 104 LEU H H 8.066 0.020 1 1041 104 104 LEU HA H 4.242 0.020 1 1042 104 104 LEU HB2 H 1.874 0.020 1 1043 104 104 LEU HB3 H 1.597 0.020 1 1044 104 104 LEU HG H 1.725 0.020 1 1045 104 104 LEU HD1 H 0.943 0.020 1 1046 104 104 LEU HD2 H 0.848 0.020 1 1047 104 104 LEU C C 179.883 0.300 1 1048 104 104 LEU CA C 57.958 0.300 1 1049 104 104 LEU CB C 41.934 0.300 1 1050 104 104 LEU CG C 27.327 0.300 1 1051 104 104 LEU CD1 C 24.467 0.300 1 1052 104 104 LEU CD2 C 25.132 0.300 1 1053 104 104 LEU N N 121.281 0.300 1 1054 105 105 GLN H H 8.965 0.020 1 1055 105 105 GLN HA H 4.069 0.020 1 1056 105 105 GLN HB2 H 2.382 0.020 1 1057 105 105 GLN HB3 H 2.169 0.020 1 1058 105 105 GLN HG2 H 2.384 0.020 1 1059 105 105 GLN HG3 H 2.511 0.020 1 1060 105 105 GLN HE21 H 6.887 0.020 1 1061 105 105 GLN HE22 H 7.321 0.020 1 1062 105 105 GLN C C 178.833 0.300 1 1063 105 105 GLN CA C 59.586 0.300 1 1064 105 105 GLN CB C 28.160 0.300 1 1065 105 105 GLN CG C 34.581 0.300 1 1066 105 105 GLN N N 122.396 0.300 1 1067 105 105 GLN NE2 N 111.554 0.300 1 1068 106 106 GLU H H 8.199 0.020 1 1069 106 106 GLU HA H 4.138 0.020 1 1070 106 106 GLU HB2 H 2.176 0.020 1 1071 106 106 GLU HB3 H 2.176 0.020 1 1072 106 106 GLU HG2 H 2.260 0.020 1 1073 106 106 GLU HG3 H 2.260 0.020 1 1074 106 106 GLU C C 179.631 0.300 1 1075 106 106 GLU CA C 59.582 0.300 1 1076 106 106 GLU CB C 29.476 0.300 1 1077 106 106 GLU CG C 36.731 0.300 1 1078 106 106 GLU N N 120.590 0.300 1 1079 107 107 LEU H H 7.953 0.020 1 1080 107 107 LEU HA H 4.150 0.020 1 1081 107 107 LEU HB2 H 1.896 0.020 1 1082 107 107 LEU HB3 H 1.627 0.020 1 1083 107 107 LEU HG H 1.837 0.020 1 1084 107 107 LEU HD1 H 0.892 0.020 1 1085 107 107 LEU HD2 H 0.875 0.020 1 1086 107 107 LEU C C 179.661 0.300 1 1087 107 107 LEU CA C 57.706 0.300 1 1088 107 107 LEU CB C 42.464 0.300 1 1089 107 107 LEU CG C 26.988 0.300 1 1090 107 107 LEU CD1 C 25.200 0.300 1 1091 107 107 LEU CD2 C 23.989 0.300 1 1092 107 107 LEU N N 119.888 0.300 1 1093 108 108 THR H H 8.645 0.020 1 1094 108 108 THR HA H 4.299 0.020 1 1095 108 108 THR HB H 3.734 0.020 1 1096 108 108 THR HG2 H 1.305 0.020 1 1097 108 108 THR C C 176.166 0.300 1 1098 108 108 THR CA C 67.673 0.300 1 1099 108 108 THR CB C 67.465 0.300 1 1100 108 108 THR CG2 C 22.759 0.300 1 1101 108 108 THR N N 115.260 0.300 1 1102 109 109 SER H H 8.285 0.020 1 1103 109 109 SER HA H 4.151 0.020 1 1104 109 109 SER HB2 H 4.054 0.020 1 1105 109 109 SER HB3 H 4.054 0.020 1 1106 109 109 SER C C 177.444 0.300 1 1107 109 109 SER CA C 61.720 0.300 1 1108 109 109 SER CB C 62.277 0.300 1 1109 109 109 SER N N 118.325 0.300 1 1110 110 110 LYS H H 7.582 0.020 1 1111 110 110 LYS HA H 4.128 0.020 1 1112 110 110 LYS HB2 H 1.955 0.020 1 1113 110 110 LYS HB3 H 1.955 0.020 1 1114 110 110 LYS HG2 H 1.425 0.020 1 1115 110 110 LYS HG3 H 1.425 0.020 1 1116 110 110 LYS HD2 H 1.713 0.020 1 1117 110 110 LYS HE2 H 2.973 0.020 1 1118 110 110 LYS C C 178.884 0.300 1 1119 110 110 LYS CA C 59.819 0.300 1 1120 110 110 LYS CB C 32.401 0.300 1 1121 110 110 LYS CG C 24.862 0.300 1 1122 110 110 LYS CD C 29.985 0.300 1 1123 110 110 LYS CE C 41.693 0.300 1 1124 110 110 LYS N N 122.423 0.300 1 1125 111 111 LEU H H 7.947 0.020 1 1126 111 111 LEU HA H 4.086 0.020 1 1127 111 111 LEU HB2 H 2.105 0.020 1 1128 111 111 LEU HB3 H 1.233 0.020 1 1129 111 111 LEU HG H 0.763 0.020 1 1130 111 111 LEU HD1 H 0.572 0.020 1 1131 111 111 LEU C C 177.917 0.300 1 1132 111 111 LEU CA C 57.832 0.300 1 1133 111 111 LEU CB C 41.085 0.300 1 1134 111 111 LEU CG C 25.731 0.300 1 1135 111 111 LEU CD1 C 26.208 0.300 1 1136 111 111 LEU CD2 C 24.423 0.300 1 1137 111 111 LEU N N 120.270 0.300 1 1138 112 112 PHE H H 8.697 0.020 1 1139 112 112 PHE HA H 4.296 0.020 1 1140 112 112 PHE HB2 H 3.390 0.020 1 1141 112 112 PHE HB3 H 3.021 0.020 1 1142 112 112 PHE HD1 H 7.483 0.020 1 1143 112 112 PHE HD2 H 7.483 0.020 1 1144 112 112 PHE HE1 H 7.483 0.020 1 1145 112 112 PHE HE2 H 7.259 0.020 1 1146 112 112 PHE HZ H 7.033 0.020 1 1147 112 112 PHE C C 177.965 0.300 1 1148 112 112 PHE CA C 62.640 0.300 1 1149 112 112 PHE CB C 37.213 0.300 1 1150 112 112 PHE CD1 C 131.413 0.300 1 1151 112 112 PHE CD2 C 132.285 0.300 1 1152 112 112 PHE CE1 C 131.859 0.300 1 1153 112 112 PHE CE2 C 130.159 0.300 1 1154 112 112 PHE CZ C 128.399 0.300 1 1155 112 112 PHE N N 116.713 0.300 1 1156 113 113 SER H H 8.110 0.020 1 1157 113 113 SER HA H 4.470 0.020 1 1158 113 113 SER HB2 H 4.092 0.020 1 1159 113 113 SER HB3 H 4.045 0.020 1 1160 113 113 SER C C 176.759 0.300 1 1161 113 113 SER CA C 62.121 0.300 1 1162 113 113 SER CB C 62.139 0.300 1 1163 113 113 SER N N 116.862 0.300 1 1164 114 114 SER H H 8.165 0.020 1 1165 114 114 SER HA H 4.295 0.020 1 1166 114 114 SER HB2 H 4.028 0.020 1 1167 114 114 SER HB3 H 4.028 0.020 1 1168 114 114 SER C C 176.318 0.300 1 1169 114 114 SER CA C 62.939 0.300 1 1170 114 114 SER CB C 63.178 0.300 1 1171 114 114 SER N N 119.109 0.300 1 1172 115 115 ILE H H 8.135 0.020 1 1173 115 115 ILE HA H 3.641 0.020 1 1174 115 115 ILE HB H 1.998 0.020 1 1175 115 115 ILE HG12 H 1.963 0.020 1 1176 115 115 ILE HG13 H 1.963 0.020 1 1177 115 115 ILE HG2 H 0.977 0.020 1 1178 115 115 ILE HD1 H 0.587 0.020 1 1179 115 115 ILE C C 179.528 0.300 1 1180 115 115 ILE CA C 66.148 0.300 1 1181 115 115 ILE CB C 37.727 0.300 1 1182 115 115 ILE CG1 C 30.655 0.300 1 1183 115 115 ILE CG2 C 16.664 0.300 1 1184 115 115 ILE CD1 C 13.248 0.300 1 1185 115 115 ILE N N 123.838 0.300 1 1186 116 116 ASP H H 8.131 0.020 1 1187 116 116 ASP HA H 4.439 0.020 1 1188 116 116 ASP HB2 H 2.927 0.020 1 1189 116 116 ASP HB3 H 2.927 0.020 1 1190 116 116 ASP C C 179.669 0.300 1 1191 116 116 ASP CA C 57.699 0.300 1 1192 116 116 ASP CB C 39.584 0.300 1 1193 116 116 ASP N N 120.581 0.300 1 1194 117 117 ASN H H 7.953 0.020 1 1195 117 117 ASN HA H 4.320 0.020 1 1196 117 117 ASN HB2 H 1.927 0.020 1 1197 117 117 ASN HB3 H 2.054 0.020 1 1198 117 117 ASN C C 177.334 0.300 1 1199 117 117 ASN CA C 55.653 0.300 1 1200 117 117 ASN CB C 36.116 0.300 1 1201 117 117 ASN N N 119.439 0.300 1 1202 118 118 LEU H H 8.352 0.020 1 1203 118 118 LEU HA H 4.244 0.020 1 1204 118 118 LEU HB2 H 2.385 0.020 1 1205 118 118 LEU HB3 H 1.386 0.020 1 1206 118 118 LEU HG H 0.987 0.020 1 1207 118 118 LEU HD2 H 0.758 0.020 1 1208 118 118 LEU C C 176.811 0.300 1 1209 118 118 LEU CA C 57.769 0.300 1 1210 118 118 LEU CB C 40.877 0.300 1 1211 118 118 LEU CG C 26.382 0.300 1 1212 118 118 LEU CD1 C 26.106 0.300 1 1213 118 118 LEU CD2 C 22.422 0.300 1 1214 118 118 LEU N N 125.510 0.300 1 1215 119 119 ASP H H 8.579 0.020 1 1216 119 119 ASP HA H 4.125 0.020 1 1217 119 119 ASP HB2 H 3.098 0.020 1 1218 119 119 ASP HB3 H 2.734 0.020 1 1219 119 119 ASP C C 178.310 0.300 1 1220 119 119 ASP CA C 57.940 0.300 1 1221 119 119 ASP CB C 41.848 0.300 1 1222 119 119 ASP N N 120.222 0.300 1 1223 120 120 HIS H H 8.170 0.020 1 1224 120 120 HIS HA H 4.115 0.020 1 1225 120 120 HIS HB2 H 3.264 0.020 1 1226 120 120 HIS HB3 H 3.264 0.020 1 1227 120 120 HIS HD2 H 7.099 0.020 1 1228 120 120 HIS HE1 H 7.103 0.020 1 1229 120 120 HIS C C 176.573 0.300 1 1230 120 120 HIS CA C 60.844 0.300 1 1231 120 120 HIS CB C 29.010 0.300 1 1232 120 120 HIS CD2 C 119.739 0.300 1 1233 120 120 HIS CE1 C 120.309 0.300 1 1234 120 120 HIS N N 117.587 0.300 1 1235 121 121 ALA H H 8.168 0.020 1 1236 121 121 ALA HA H 3.994 0.020 1 1237 121 121 ALA HB H 1.638 0.020 1 1238 121 121 ALA C C 178.239 0.300 1 1239 121 121 ALA CA C 54.800 0.300 1 1240 121 121 ALA CB C 17.844 0.300 1 1241 121 121 ALA N N 121.398 0.300 1 1242 122 122 ALA H H 7.822 0.020 1 1243 122 122 ALA HA H 3.871 0.020 1 1244 122 122 ALA HB H 1.734 0.020 1 1245 122 122 ALA C C 179.738 0.300 1 1246 122 122 ALA CA C 54.459 0.300 1 1247 122 122 ALA CB C 19.320 0.300 1 1248 122 122 ALA N N 117.609 0.300 1 1249 123 123 LYS H H 8.062 0.020 1 1250 123 123 LYS HA H 3.811 0.020 1 1251 123 123 LYS HB2 H 1.975 0.020 1 1252 123 123 LYS HB3 H 1.829 0.020 1 1253 123 123 LYS HG2 H 1.197 0.020 1 1254 123 123 LYS HD2 H 1.701 0.020 1 1255 123 123 LYS HD3 H 1.701 0.020 1 1256 123 123 LYS C C 178.828 0.300 1 1257 123 123 LYS CA C 59.565 0.300 1 1258 123 123 LYS CB C 32.068 0.300 1 1259 123 123 LYS CG C 24.872 0.300 1 1260 123 123 LYS CD C 29.413 0.300 1 1261 123 123 LYS CE C 42.048 0.300 1 1262 123 123 LYS N N 122.148 0.300 1 1263 124 124 ILE H H 7.457 0.020 1 1264 124 124 ILE HA H 4.128 0.020 1 1265 124 124 ILE HB H 1.994 0.020 1 1266 124 124 ILE HG12 H 0.959 0.020 1 1267 124 124 ILE HG13 H 0.959 0.020 1 1268 124 124 ILE HG2 H 0.578 0.020 1 1269 124 124 ILE HD1 H 0.807 0.020 1 1270 124 124 ILE C C 174.838 0.300 1 1271 124 124 ILE CA C 61.063 0.300 1 1272 124 124 ILE CB C 37.200 0.300 1 1273 124 124 ILE CG1 C 25.821 0.300 1 1274 124 124 ILE CG2 C 17.317 0.300 1 1275 124 124 ILE CD1 C 13.931 0.300 1 1276 124 124 ILE N N 108.686 0.300 1 1277 125 125 LYS H H 7.121 0.020 1 1278 125 125 LYS HA H 4.294 0.020 1 1279 125 125 LYS HB2 H 1.733 0.020 1 1280 125 125 LYS HB3 H 1.733 0.020 1 1281 125 125 LYS HG2 H 1.427 0.020 1 1282 125 125 LYS HG3 H 1.427 0.020 1 1283 125 125 LYS HD2 H 1.671 0.020 1 1284 125 125 LYS HD3 H 1.671 0.020 1 1285 125 125 LYS HE2 H 2.992 0.020 1 1286 125 125 LYS HE3 H 2.992 0.020 1 1287 125 125 LYS C C 174.814 0.300 1 1288 125 125 LYS CA C 55.940 0.300 1 1289 125 125 LYS CB C 28.903 0.300 1 1290 125 125 LYS CG C 24.749 0.300 1 1291 125 125 LYS CD C 28.147 0.300 1 1292 125 125 LYS CE C 41.750 0.300 1 1293 125 125 LYS N N 120.011 0.300 1 1294 126 126 SER H H 7.274 0.020 1 1295 126 126 SER HA H 5.103 0.020 1 1296 126 126 SER HB2 H 3.597 0.020 1 1297 126 126 SER HB3 H 3.597 0.020 1 1298 126 126 SER C C 173.482 0.300 1 1299 126 126 SER CA C 53.133 0.300 1 1300 126 126 SER CB C 63.518 0.300 1 1301 126 126 SER N N 111.274 0.300 1 1302 127 127 PRO HA H 4.480 0.020 1 1303 127 127 PRO HB2 H 2.718 0.020 1 1304 127 127 PRO HB3 H 2.281 0.020 1 1305 127 127 PRO HG2 H 2.044 0.020 1 1306 127 127 PRO HG3 H 2.044 0.020 1 1307 127 127 PRO HD2 H 3.805 0.020 1 1308 127 127 PRO HD3 H 3.563 0.020 1 1309 127 127 PRO C C 179.083 0.300 1 1310 127 127 PRO CA C 65.872 0.300 1 1311 127 127 PRO CB C 32.537 0.300 1 1312 127 127 PRO CG C 28.176 0.300 1 1313 127 127 PRO CD C 49.964 0.300 1 1314 128 128 THR H H 7.833 0.020 1 1315 128 128 THR HA H 4.145 0.020 1 1316 128 128 THR HB H 4.143 0.020 1 1317 128 128 THR HG2 H 1.305 0.020 1 1318 128 128 THR C C 178.503 0.300 1 1319 128 128 THR CA C 65.146 0.300 1 1320 128 128 THR CB C 67.844 0.300 1 1321 128 128 THR CG2 C 22.186 0.300 1 1322 128 128 THR N N 109.654 0.300 1 1323 129 129 GLU H H 8.077 0.020 1 1324 129 129 GLU HA H 4.096 0.020 1 1325 129 129 GLU HB2 H 2.210 0.020 1 1326 129 129 GLU HB3 H 2.169 0.020 1 1327 129 129 GLU HG2 H 2.539 0.020 1 1328 129 129 GLU C C 178.122 0.300 1 1329 129 129 GLU CA C 58.732 0.300 1 1330 129 129 GLU CB C 30.403 0.300 1 1331 129 129 GLU CG C 37.032 0.300 1 1332 129 129 GLU N N 122.672 0.300 1 1333 130 130 ALA H H 8.733 0.020 1 1334 130 130 ALA HA H 4.060 0.020 1 1335 130 130 ALA HB H 1.528 0.020 1 1336 130 130 ALA C C 179.145 0.300 1 1337 130 130 ALA CA C 55.514 0.300 1 1338 130 130 ALA CB C 18.188 0.300 1 1339 130 130 ALA N N 122.154 0.300 1 1340 131 131 GLU H H 8.348 0.020 1 1341 131 131 GLU HA H 4.073 0.020 1 1342 131 131 GLU HB2 H 2.138 0.020 1 1343 131 131 GLU HG2 H 2.517 0.020 1 1344 131 131 GLU HG3 H 2.283 0.020 1 1345 131 131 GLU C C 179.714 0.300 1 1346 131 131 GLU CA C 60.181 0.300 1 1347 131 131 GLU CB C 29.454 0.300 1 1348 131 131 GLU CG C 36.182 0.300 1 1349 131 131 GLU N N 117.714 0.300 1 1350 132 132 LYS H H 7.595 0.020 1 1351 132 132 LYS HA H 4.042 0.020 1 1352 132 132 LYS HB2 H 1.626 0.020 1 1353 132 132 LYS HB3 H 1.626 0.020 1 1354 132 132 LYS HG2 H 1.207 0.020 1 1355 132 132 LYS HG3 H 1.207 0.020 1 1356 132 132 LYS HD2 H 1.389 0.020 1 1357 132 132 LYS HD3 H 1.278 0.020 1 1358 132 132 LYS HE2 H 2.585 0.020 1 1359 132 132 LYS C C 180.047 0.300 1 1360 132 132 LYS CA C 59.034 0.300 1 1361 132 132 LYS CB C 32.176 0.300 1 1362 132 132 LYS CG C 23.686 0.300 1 1363 132 132 LYS CD C 29.331 0.300 1 1364 132 132 LYS CE C 41.658 0.300 1 1365 132 132 LYS N N 120.922 0.300 1 1366 133 133 TYR H H 8.568 0.020 1 1367 133 133 TYR HA H 4.475 0.020 1 1368 133 133 TYR HB2 H 3.406 0.020 1 1369 133 133 TYR HB3 H 2.570 0.020 1 1370 133 133 TYR HD1 H 6.952 0.020 1 1371 133 133 TYR HD2 H 7.123 0.020 1 1372 133 133 TYR HE1 H 6.984 0.020 1 1373 133 133 TYR HE2 H 6.612 0.020 1 1374 133 133 TYR C C 179.167 0.300 1 1375 133 133 TYR CA C 62.581 0.300 1 1376 133 133 TYR CB C 36.957 0.300 1 1377 133 133 TYR CD1 C 131.438 0.300 1 1378 133 133 TYR CD2 C 132.555 0.300 1 1379 133 133 TYR CE1 C 118.754 0.300 1 1380 133 133 TYR CE2 C 117.863 0.300 1 1381 133 133 TYR N N 116.687 0.300 1 1382 134 134 TYR H H 9.591 0.020 1 1383 134 134 TYR HA H 4.180 0.020 1 1384 134 134 TYR HB2 H 3.154 0.020 1 1385 134 134 TYR HB3 H 3.154 0.020 1 1386 134 134 TYR HD1 H 6.975 0.020 1 1387 134 134 TYR HD2 H 7.099 0.020 1 1388 134 134 TYR HE1 H 6.826 0.020 1 1389 134 134 TYR HE2 H 7.054 0.020 1 1390 134 134 TYR C C 176.382 0.300 1 1391 134 134 TYR CA C 63.329 0.300 1 1392 134 134 TYR CB C 38.054 0.300 1 1393 134 134 TYR CD1 C 132.378 0.300 1 1394 134 134 TYR CD2 C 133.722 0.300 1 1395 134 134 TYR CE1 C 118.558 0.300 1 1396 134 134 TYR CE2 C 117.713 0.300 1 1397 134 134 TYR N N 126.966 0.300 1 1398 135 135 GLY H H 8.182 0.020 1 1399 135 135 GLY HA2 H 4.046 0.020 1 1400 135 135 GLY HA3 H 3.677 0.020 1 1401 135 135 GLY C C 177.239 0.300 1 1402 135 135 GLY CA C 47.426 0.300 1 1403 135 135 GLY N N 106.437 0.300 1 1404 136 136 GLN H H 7.615 0.020 1 1405 136 136 GLN HA H 4.150 0.020 1 1406 136 136 GLN HB2 H 2.184 0.020 1 1407 136 136 GLN HB3 H 2.115 0.020 1 1408 136 136 GLN HG2 H 2.596 0.020 1 1409 136 136 GLN HG3 H 2.479 0.020 1 1410 136 136 GLN HE21 H 6.984 0.020 1 1411 136 136 GLN HE22 H 7.554 0.020 1 1412 136 136 GLN C C 177.682 0.300 1 1413 136 136 GLN CA C 59.093 0.300 1 1414 136 136 GLN CB C 28.789 0.300 1 1415 136 136 GLN CG C 33.901 0.300 1 1416 136 136 GLN N N 119.338 0.300 1 1417 136 136 GLN NE2 N 110.710 0.300 1 1418 137 137 THR H H 8.053 0.020 1 1419 137 137 THR HA H 4.131 0.020 1 1420 137 137 THR HB H 3.988 0.020 1 1421 137 137 THR HG2 H 1.282 0.020 1 1422 137 137 THR C C 177.307 0.300 1 1423 137 137 THR CA C 68.317 0.300 1 1424 137 137 THR CB C 67.191 0.300 1 1425 137 137 THR CG2 C 21.626 0.300 1 1426 137 137 THR N N 118.566 0.300 1 1427 138 138 VAL H H 8.324 0.020 1 1428 138 138 VAL HA H 3.191 0.020 1 1429 138 138 VAL HB H 1.973 0.020 1 1430 138 138 VAL HG1 H 0.484 0.020 1 1431 138 138 VAL HG2 H 0.825 0.020 1 1432 138 138 VAL C C 177.718 0.300 1 1433 138 138 VAL CA C 67.231 0.300 1 1434 138 138 VAL CB C 31.430 0.300 1 1435 138 138 VAL CG1 C 22.480 0.300 1 1436 138 138 VAL CG2 C 20.687 0.300 1 1437 138 138 VAL N N 121.457 0.300 1 1438 139 139 SER H H 7.481 0.020 1 1439 139 139 SER HA H 4.189 0.020 1 1440 139 139 SER HB2 H 4.007 0.020 1 1441 139 139 SER HB3 H 3.936 0.020 1 1442 139 139 SER C C 177.385 0.300 1 1443 139 139 SER CA C 61.748 0.300 1 1444 139 139 SER CB C 62.475 0.300 1 1445 139 139 SER N N 113.316 0.300 1 1446 140 140 ASN H H 8.467 0.020 1 1447 140 140 ASN HA H 4.546 0.020 1 1448 140 140 ASN HB2 H 2.860 0.020 1 1449 140 140 ASN HB3 H 2.551 0.020 1 1450 140 140 ASN HD21 H 7.190 0.020 1 1451 140 140 ASN HD22 H 7.080 0.020 1 1452 140 140 ASN C C 178.003 0.300 1 1453 140 140 ASN CA C 55.941 0.300 1 1454 140 140 ASN CB C 38.909 0.300 1 1455 140 140 ASN N N 119.386 0.300 1 1456 140 140 ASN ND2 N 110.176 0.300 1 1457 141 141 ILE H H 9.189 0.020 1 1458 141 141 ILE HA H 3.549 0.020 1 1459 141 141 ILE HB H 2.174 0.020 1 1460 141 141 ILE HG12 H 1.703 0.020 1 1461 141 141 ILE HG13 H 1.009 0.020 1 1462 141 141 ILE HG2 H 0.783 0.020 1 1463 141 141 ILE HD1 H 0.773 0.020 1 1464 141 141 ILE C C 177.242 0.300 1 1465 141 141 ILE CA C 65.195 0.300 1 1466 141 141 ILE CB C 36.316 0.300 1 1467 141 141 ILE CG1 C 30.598 0.300 1 1468 141 141 ILE CG2 C 17.155 0.300 1 1469 141 141 ILE CD1 C 13.357 0.300 1 1470 141 141 ILE N N 123.371 0.300 1 1471 142 142 ASN H H 8.288 0.020 1 1472 142 142 ASN HA H 4.445 0.020 1 1473 142 142 ASN HB2 H 2.977 0.020 1 1474 142 142 ASN HB3 H 2.776 0.020 1 1475 142 142 ASN HD21 H 6.750 0.020 1 1476 142 142 ASN HD22 H 7.492 0.020 1 1477 142 142 ASN C C 178.762 0.300 1 1478 142 142 ASN CA C 56.454 0.300 1 1479 142 142 ASN CB C 37.264 0.300 1 1480 142 142 ASN N N 119.151 0.300 1 1481 142 142 ASN ND2 N 110.781 0.300 1 1482 143 143 GLU H H 7.800 0.020 1 1483 143 143 GLU HA H 4.145 0.020 1 1484 143 143 GLU HB2 H 2.183 0.020 1 1485 143 143 GLU HB3 H 2.183 0.020 1 1486 143 143 GLU HG2 H 2.537 0.020 1 1487 143 143 GLU C C 179.037 0.300 1 1488 143 143 GLU CA C 59.643 0.300 1 1489 143 143 GLU CB C 29.635 0.300 1 1490 143 143 GLU CG C 36.844 0.300 1 1491 143 143 GLU N N 119.853 0.300 1 1492 144 144 VAL H H 7.919 0.020 1 1493 144 144 VAL HA H 3.491 0.020 1 1494 144 144 VAL HB H 2.199 0.020 1 1495 144 144 VAL HG1 H 0.850 0.020 1 1496 144 144 VAL HG2 H 0.818 0.020 1 1497 144 144 VAL C C 177.908 0.300 1 1498 144 144 VAL CA C 66.941 0.300 1 1499 144 144 VAL CB C 31.571 0.300 1 1500 144 144 VAL CG1 C 24.626 0.300 1 1501 144 144 VAL CG2 C 20.971 0.300 1 1502 144 144 VAL N N 119.901 0.300 1 1503 145 145 LEU H H 8.982 0.020 1 1504 145 145 LEU HA H 3.916 0.020 1 1505 145 145 LEU HB2 H 1.967 0.020 1 1506 145 145 LEU HB3 H 1.481 0.020 1 1507 145 145 LEU HG H 1.193 0.020 1 1508 145 145 LEU HD1 H 0.841 0.020 1 1509 145 145 LEU C C 180.097 0.300 1 1510 145 145 LEU CA C 58.156 0.300 1 1511 145 145 LEU CB C 40.967 0.300 1 1512 145 145 LEU CG C 27.129 0.300 1 1513 145 145 LEU CD1 C 25.727 0.300 1 1514 145 145 LEU CD2 C 23.036 0.300 1 1515 145 145 LEU N N 118.426 0.300 1 1516 146 146 ALA H H 7.513 0.020 1 1517 146 146 ALA HA H 4.194 0.020 1 1518 146 146 ALA HB H 1.528 0.020 1 1519 146 146 ALA C C 179.476 0.300 1 1520 146 146 ALA CA C 54.735 0.300 1 1521 146 146 ALA CB C 17.929 0.300 1 1522 146 146 ALA N N 119.677 0.300 1 1523 147 147 LYS H H 7.600 0.020 1 1524 147 147 LYS HA H 4.381 0.020 1 1525 147 147 LYS HB2 H 1.917 0.020 1 1526 147 147 LYS HB3 H 2.031 0.020 1 1527 147 147 LYS HG2 H 1.444 0.020 1 1528 147 147 LYS HG3 H 1.444 0.020 1 1529 147 147 LYS HD2 H 1.681 0.020 1 1530 147 147 LYS HD3 H 1.611 0.020 1 1531 147 147 LYS HE2 H 2.968 0.020 1 1532 147 147 LYS C C 177.596 0.300 1 1533 147 147 LYS CA C 55.357 0.300 1 1534 147 147 LYS CB C 32.716 0.300 1 1535 147 147 LYS CG C 24.844 0.300 1 1536 147 147 LYS CD C 28.016 0.300 1 1537 147 147 LYS CE C 42.269 0.300 1 1538 147 147 LYS N N 116.071 0.300 1 1539 148 148 LEU H H 7.664 0.020 1 1540 148 148 LEU HA H 4.197 0.020 1 1541 148 148 LEU HB2 H 1.601 0.020 1 1542 148 148 LEU HG H 1.829 0.020 1 1543 148 148 LEU HD1 H 0.790 0.020 1 1544 148 148 LEU C C 177.001 0.300 1 1545 148 148 LEU CA C 55.952 0.300 1 1546 148 148 LEU CB C 42.332 0.300 1 1547 148 148 LEU CG C 26.445 0.300 1 1548 148 148 LEU CD1 C 23.126 0.300 1 1549 148 148 LEU CD2 C 22.823 0.300 1 1550 148 148 LEU N N 119.200 0.300 1 1551 149 149 GLY H H 7.560 0.020 1 1552 149 149 GLY HA2 H 3.775 0.020 1 1553 149 149 GLY HA3 H 3.633 0.020 1 1554 149 149 GLY C C 179.048 0.300 1 1555 149 149 GLY CA C 46.165 0.300 1 1556 149 149 GLY N N 112.662 0.300 1 stop_ save_