data_34394 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure and 1H, 13C and 15N chemical shift assignments for NECAP1 PHear domain ; _BMRB_accession_number 34394 _BMRB_flat_file_name bmr34394.str _Entry_type original _Submission_date 2019-04-18 _Accession_date 2019-04-18 _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 Owen D. J. . 2 Neuhaus D. . . 3 Yang J. C. . 4 Herrmann T. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 817 "13C chemical shifts" 485 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-10-22 original BMRB . stop_ _Original_release_date 2019-10-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31430451 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wrobel A. G. . 2 Kadlecova Z. . . 3 Kamenicky J. . . 4 Yang J. C. . 5 Herrmann T. . . 6 Kelly B. T. . 7 McCoy A. J. . 8 Evans P. R. . 9 Martin S. . . 10 Muller S. . . 11 Sroubek F. . . 12 Neuhaus D. . . 13 Honing S. . . 14 Owen D. J. . stop_ _Journal_abbreviation 'Dev. Cell' _Journal_volume 50 _Journal_issue 4 _Journal_ISSN 1534-5807 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 494 _Page_last 508 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Adaptin ear-binding coat-associated protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 15562.371 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; GSPNSMATELEYESVLCVKP DVSVYRIPPRASNRGYRASD WKLDQPDWTGRLRITSKGKT AYIKLEDKVSGELFAQAPVE QYPGIAVETVTDSSRYFVIR IQDGTGRSAFIGIGFTDRGD AFDFNVSLQDHFKWVKQE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 SER 3 -2 PRO 4 -1 ASN 5 0 SER 6 1 MET 7 2 ALA 8 3 THR 9 4 GLU 10 5 LEU 11 6 GLU 12 7 TYR 13 8 GLU 14 9 SER 15 10 VAL 16 11 LEU 17 12 CYS 18 13 VAL 19 14 LYS 20 15 PRO 21 16 ASP 22 17 VAL 23 18 SER 24 19 VAL 25 20 TYR 26 21 ARG 27 22 ILE 28 23 PRO 29 24 PRO 30 25 ARG 31 26 ALA 32 27 SER 33 28 ASN 34 29 ARG 35 30 GLY 36 31 TYR 37 32 ARG 38 33 ALA 39 34 SER 40 35 ASP 41 36 TRP 42 37 LYS 43 38 LEU 44 39 ASP 45 40 GLN 46 41 PRO 47 42 ASP 48 43 TRP 49 44 THR 50 45 GLY 51 46 ARG 52 47 LEU 53 48 ARG 54 49 ILE 55 50 THR 56 51 SER 57 52 LYS 58 53 GLY 59 54 LYS 60 55 THR 61 56 ALA 62 57 TYR 63 58 ILE 64 59 LYS 65 60 LEU 66 61 GLU 67 62 ASP 68 63 LYS 69 64 VAL 70 65 SER 71 66 GLY 72 67 GLU 73 68 LEU 74 69 PHE 75 70 ALA 76 71 GLN 77 72 ALA 78 73 PRO 79 74 VAL 80 75 GLU 81 76 GLN 82 77 TYR 83 78 PRO 84 79 GLY 85 80 ILE 86 81 ALA 87 82 VAL 88 83 GLU 89 84 THR 90 85 VAL 91 86 THR 92 87 ASP 93 88 SER 94 89 SER 95 90 ARG 96 91 TYR 97 92 PHE 98 93 VAL 99 94 ILE 100 95 ARG 101 96 ILE 102 97 GLN 103 98 ASP 104 99 GLY 105 100 THR 106 101 GLY 107 102 ARG 108 103 SER 109 104 ALA 110 105 PHE 111 106 ILE 112 107 GLY 113 108 ILE 114 109 GLY 115 110 PHE 116 111 THR 117 112 ASP 118 113 ARG 119 114 GLY 120 115 ASP 121 116 ALA 122 117 PHE 123 118 ASP 124 119 PHE 125 120 ASN 126 121 VAL 127 122 SER 128 123 LEU 129 124 GLN 130 125 ASP 131 126 HIS 132 127 PHE 133 128 LYS 134 129 TRP 135 130 VAL 136 131 LYS 137 132 GLN 138 133 GLU 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens NECAP1 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-98% 13C; U-98% 15N] NECAP1 1-133, 70 mM [U-2H] sodium acetate, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-98% 13C; U-98% 15N]' 'sodium acetate' 70 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name 'CcpNmr Analysis' _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Sparky _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name UNIO _Version 2.8.1 loop_ _Vendor _Address _Electronic_address Herrmann . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name Xplor-NIH _Version 2.28 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name Amber _Version 11 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $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_2D_1H-13C_HSQC_aliphatic_(constant_time)_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic (constant time)' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_(constant_time)_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic (constant time)' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_tau(m)_150ms_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic tau(m) 150ms' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_tau(m)_150ms_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic tau(m) 150ms' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_tau(m)_150ms_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY tau(m) 150ms' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_(13C,13C,1H)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY (13C,13C,1H)' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_(1H,13C,1H)_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY (1H,13C,1H)' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 TSP C 13 protons ppm 0.0 external indirect . . . 0.251449530 TSP H 1 protons ppm 0.0 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.0 TSP N 15 protons ppm 0.0 external 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-13C HSQC aliphatic (constant time)' '2D 1H-13C HSQC aromatic (constant time)' '3D 1H-13C NOESY aromatic tau(m) 150ms' '3D 1H-13C NOESY aliphatic tau(m) 150ms' '3D 1H-15N NOESY tau(m) 150ms' '3D HCCH-TOCSY (13C,13C,1H)' '3D HCCH-COSY (1H,13C,1H)' '3D HBHA(CO)NH' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 -4 1 GLY HA2 H 3.749 0.02 2 2 -4 1 GLY HA3 H 3.804 0.02 2 3 -4 1 GLY CA C 43.300 0.1 1 4 -3 2 SER HA H 4.742 0.02 1 5 -3 2 SER HB2 H 3.801 0.02 1 6 -3 2 SER HB3 H 3.801 0.02 1 7 -3 2 SER CA C 56.523 0.1 1 8 -3 2 SER CB C 63.348 0.1 1 9 -2 3 PRO HA H 4.357 0.02 1 10 -2 3 PRO HB2 H 2.206 0.02 2 11 -2 3 PRO HB3 H 1.851 0.02 2 12 -2 3 PRO HG2 H 1.939 0.02 1 13 -2 3 PRO HG3 H 1.939 0.02 1 14 -2 3 PRO HD2 H 3.751 0.02 2 15 -2 3 PRO HD3 H 3.657 0.02 2 16 -2 3 PRO CA C 63.686 0.1 1 17 -2 3 PRO CB C 31.901 0.1 1 18 -2 3 PRO CG C 27.267 0.1 1 19 -2 3 PRO CD C 50.740 0.1 1 20 -1 4 ASN H H 8.380 0.02 1 21 -1 4 ASN HA H 4.596 0.02 1 22 -1 4 ASN HB2 H 2.677 0.02 2 23 -1 4 ASN HB3 H 2.771 0.02 2 24 -1 4 ASN HD21 H 6.764 0.02 2 25 -1 4 ASN HD22 H 7.528 0.02 2 26 -1 4 ASN CA C 53.451 0.1 1 27 -1 4 ASN CB C 38.695 0.1 1 28 -1 4 ASN N N 118.217 0.1 1 29 -1 4 ASN ND2 N 112.670 0.1 1 30 0 5 SER H H 8.137 0.02 1 31 0 5 SER HA H 4.328 0.02 1 32 0 5 SER HB2 H 3.780 0.02 2 33 0 5 SER HB3 H 3.800 0.02 2 34 0 5 SER CA C 58.636 0.1 1 35 0 5 SER CB C 63.709 0.1 1 36 0 5 SER N N 116.074 0.1 1 37 1 6 MET H H 8.272 0.02 1 38 1 6 MET HA H 4.391 0.02 1 39 1 6 MET HB2 H 2.033 0.02 2 40 1 6 MET HB3 H 1.910 0.02 2 41 1 6 MET HG2 H 2.445 0.02 2 42 1 6 MET HG3 H 2.515 0.02 2 43 1 6 MET CA C 55.546 0.1 1 44 1 6 MET CB C 32.783 0.1 1 45 1 6 MET CG C 32.000 0.1 1 46 1 6 MET N N 121.769 0.1 1 47 2 7 ALA H H 8.152 0.02 1 48 2 7 ALA HA H 4.260 0.02 1 49 2 7 ALA HB H 1.314 0.02 1 50 2 7 ALA CA C 52.831 0.1 1 51 2 7 ALA CB C 19.022 0.1 1 52 2 7 ALA N N 124.668 0.1 1 53 3 8 THR H H 7.980 0.02 1 54 3 8 THR HA H 4.193 0.02 1 55 3 8 THR HB H 4.142 0.02 1 56 3 8 THR HG2 H 1.123 0.02 1 57 3 8 THR CA C 62.192 0.1 1 58 3 8 THR CB C 69.718 0.1 1 59 3 8 THR CG2 C 21.638 0.1 1 60 3 8 THR N N 112.970 0.1 1 61 4 9 GLU H H 8.304 0.02 1 62 4 9 GLU HA H 4.196 0.02 1 63 4 9 GLU HB2 H 1.979 0.02 1 64 4 9 GLU HB3 H 1.979 0.02 1 65 4 9 GLU HG2 H 2.138 0.02 1 66 4 9 GLU HG3 H 2.138 0.02 1 67 4 9 GLU CA C 56.717 0.1 1 68 4 9 GLU CB C 30.051 0.1 1 69 4 9 GLU CG C 36.416 0.1 1 70 4 9 GLU N N 122.746 0.1 1 71 5 10 LEU H H 8.084 0.02 1 72 5 10 LEU HA H 4.212 0.02 1 73 5 10 LEU HB2 H 1.529 0.02 2 74 5 10 LEU HB3 H 1.416 0.02 2 75 5 10 LEU HG H 1.515 0.02 1 76 5 10 LEU HD1 H 0.822 0.02 2 77 5 10 LEU HD2 H 0.764 0.02 2 78 5 10 LEU CA C 55.263 0.1 1 79 5 10 LEU CB C 42.365 0.1 1 80 5 10 LEU CG C 26.994 0.1 1 81 5 10 LEU CD1 C 24.911 0.1 2 82 5 10 LEU CD2 C 23.289 0.1 2 83 5 10 LEU N N 122.451 0.1 1 84 6 11 GLU H H 8.099 0.02 1 85 6 11 GLU HA H 4.184 0.02 1 86 6 11 GLU HB2 H 1.893 0.02 1 87 6 11 GLU HB3 H 1.893 0.02 1 88 6 11 GLU HG2 H 2.142 0.02 2 89 6 11 GLU HG3 H 2.048 0.02 2 90 6 11 GLU CA C 56.246 0.1 1 91 6 11 GLU CB C 30.543 0.1 1 92 6 11 GLU CG C 36.289 0.1 1 93 6 11 GLU N N 120.489 0.1 1 94 7 12 TYR H H 7.967 0.02 1 95 7 12 TYR HA H 4.449 0.02 1 96 7 12 TYR HB2 H 2.905 0.02 1 97 7 12 TYR HB3 H 2.905 0.02 1 98 7 12 TYR HD1 H 7.013 0.02 1 99 7 12 TYR HD2 H 7.013 0.02 1 100 7 12 TYR HE1 H 6.732 0.02 1 101 7 12 TYR HE2 H 6.732 0.02 1 102 7 12 TYR CA C 57.694 0.1 1 103 7 12 TYR CB C 39.284 0.1 1 104 7 12 TYR CD1 C 133.218 0.1 1 105 7 12 TYR CD2 C 133.218 0.1 1 106 7 12 TYR CE1 C 118.233 0.1 1 107 7 12 TYR CE2 C 118.233 0.1 1 108 7 12 TYR N N 121.073 0.1 1 109 8 13 GLU H H 8.168 0.02 1 110 8 13 GLU HA H 4.770 0.02 1 111 8 13 GLU HB2 H 1.881 0.02 2 112 8 13 GLU HB3 H 1.673 0.02 2 113 8 13 GLU HG2 H 1.991 0.02 1 114 8 13 GLU HG3 H 1.991 0.02 1 115 8 13 GLU CA C 55.270 0.1 1 116 8 13 GLU CB C 31.753 0.1 1 117 8 13 GLU CG C 36.539 0.1 1 118 8 13 GLU N N 123.941 0.1 1 119 9 14 SER H H 8.544 0.02 1 120 9 14 SER HA H 4.566 0.02 1 121 9 14 SER HB2 H 3.717 0.02 1 122 9 14 SER HB3 H 3.717 0.02 1 123 9 14 SER CA C 57.405 0.1 1 124 9 14 SER CB C 64.679 0.1 1 125 9 14 SER N N 120.120 0.1 1 126 10 15 VAL H H 8.667 0.02 1 127 10 15 VAL HA H 4.069 0.02 1 128 10 15 VAL HB H 1.936 0.02 1 129 10 15 VAL HG1 H 0.769 0.02 2 130 10 15 VAL HG2 H 0.846 0.02 2 131 10 15 VAL CA C 62.972 0.1 1 132 10 15 VAL CB C 32.096 0.1 1 133 10 15 VAL CG1 C 21.753 0.1 2 134 10 15 VAL CG2 C 21.388 0.1 2 135 10 15 VAL N N 123.528 0.1 1 136 11 16 LEU H H 9.135 0.02 1 137 11 16 LEU HA H 4.270 0.02 1 138 11 16 LEU HB2 H 1.339 0.02 1 139 11 16 LEU HB3 H 1.176 0.02 1 140 11 16 LEU HG H 1.275 0.02 1 141 11 16 LEU HD1 H 0.379 0.02 2 142 11 16 LEU HD2 H 0.597 0.02 2 143 11 16 LEU CA C 55.648 0.1 1 144 11 16 LEU CB C 42.656 0.1 1 145 11 16 LEU CG C 27.318 0.1 1 146 11 16 LEU CD1 C 24.374 0.1 2 147 11 16 LEU CD2 C 22.170 0.1 2 148 11 16 LEU N N 126.857 0.1 1 149 12 17 CYS H H 7.364 0.02 1 150 12 17 CYS HA H 4.424 0.02 1 151 12 17 CYS HB2 H 3.124 0.02 2 152 12 17 CYS HB3 H 2.166 0.02 2 153 12 17 CYS CA C 58.670 0.1 1 154 12 17 CYS CB C 29.422 0.1 1 155 12 17 CYS N N 116.765 0.1 1 156 13 18 VAL H H 8.719 0.02 1 157 13 18 VAL HA H 4.864 0.02 1 158 13 18 VAL HB H 1.906 0.02 1 159 13 18 VAL HG1 H 0.819 0.02 2 160 13 18 VAL HG2 H 0.800 0.02 2 161 13 18 VAL CA C 61.762 0.1 1 162 13 18 VAL CB C 34.610 0.1 1 163 13 18 VAL CG1 C 21.434 0.1 2 164 13 18 VAL CG2 C 20.657 0.1 2 165 13 18 VAL N N 128.428 0.1 1 166 14 19 LYS H H 9.588 0.02 1 167 14 19 LYS HA H 5.186 0.02 1 168 14 19 LYS HB2 H 1.901 0.02 1 169 14 19 LYS HB3 H 1.901 0.02 1 170 14 19 LYS HG2 H 1.881 0.02 2 171 14 19 LYS HG3 H 1.722 0.02 2 172 14 19 LYS HD2 H 1.487 0.02 1 173 14 19 LYS HD3 H 1.487 0.02 1 174 14 19 LYS HE2 H 2.742 0.02 1 175 14 19 LYS HE3 H 2.742 0.02 1 176 14 19 LYS CA C 50.021 0.1 1 177 14 19 LYS CB C 34.322 0.1 1 178 14 19 LYS CG C 24.520 0.1 1 179 14 19 LYS CD C 29.388 0.1 1 180 14 19 LYS CE C 42.012 0.1 1 181 14 19 LYS N N 126.180 0.1 1 182 15 20 PRO HA H 4.393 0.02 1 183 15 20 PRO HB2 H 2.172 0.02 2 184 15 20 PRO HB3 H 1.937 0.02 2 185 15 20 PRO HG2 H 2.040 0.02 2 186 15 20 PRO HG3 H 2.036 0.02 2 187 15 20 PRO HD2 H 3.709 0.02 2 188 15 20 PRO HD3 H 3.930 0.02 2 189 15 20 PRO CA C 63.617 0.1 1 190 15 20 PRO CB C 32.893 0.1 1 191 15 20 PRO CG C 26.715 0.1 1 192 15 20 PRO CD C 51.111 0.1 1 193 16 21 ASP H H 7.848 0.02 1 194 16 21 ASP HA H 4.854 0.02 1 195 16 21 ASP HB2 H 2.535 0.02 2 196 16 21 ASP HB3 H 2.431 0.02 2 197 16 21 ASP CA C 54.411 0.1 1 198 16 21 ASP CB C 43.275 0.1 1 199 16 21 ASP N N 115.825 0.1 1 200 17 22 VAL H H 8.805 0.02 1 201 17 22 VAL HA H 4.314 0.02 1 202 17 22 VAL HB H 1.616 0.02 1 203 17 22 VAL HG1 H 0.497 0.02 2 204 17 22 VAL HG2 H 0.457 0.02 2 205 17 22 VAL CA C 60.911 0.1 1 206 17 22 VAL CB C 34.524 0.1 1 207 17 22 VAL CG1 C 20.944 0.1 2 208 17 22 VAL CG2 C 22.275 0.1 2 209 17 22 VAL N N 124.869 0.1 1 210 18 23 SER H H 8.062 0.02 1 211 18 23 SER HA H 4.986 0.02 1 212 18 23 SER HB2 H 3.571 0.02 2 213 18 23 SER HB3 H 3.420 0.02 2 214 18 23 SER CA C 57.730 0.1 1 215 18 23 SER CB C 66.252 0.1 1 216 18 23 SER N N 120.088 0.1 1 217 19 24 VAL H H 8.484 0.02 1 218 19 24 VAL HA H 5.032 0.02 1 219 19 24 VAL HB H 1.920 0.02 1 220 19 24 VAL HG1 H 0.825 0.02 2 221 19 24 VAL HG2 H 0.891 0.02 2 222 19 24 VAL CA C 60.373 0.1 1 223 19 24 VAL CB C 34.879 0.1 1 224 19 24 VAL CG1 C 21.239 0.1 2 225 19 24 VAL CG2 C 24.418 0.1 2 226 19 24 VAL N N 121.768 0.1 1 227 20 25 TYR H H 8.949 0.02 1 228 20 25 TYR HA H 4.778 0.02 1 229 20 25 TYR HB2 H 2.732 0.02 2 230 20 25 TYR HB3 H 1.710 0.02 2 231 20 25 TYR HD1 H 6.959 0.02 1 232 20 25 TYR HD2 H 6.959 0.02 1 233 20 25 TYR HE1 H 6.644 0.02 1 234 20 25 TYR HE2 H 6.644 0.02 1 235 20 25 TYR CA C 56.345 0.1 1 236 20 25 TYR CB C 41.312 0.1 1 237 20 25 TYR CD1 C 134.003 0.1 1 238 20 25 TYR CD2 C 134.003 0.1 1 239 20 25 TYR CE1 C 118.263 0.1 1 240 20 25 TYR CE2 C 118.263 0.1 1 241 20 25 TYR N N 124.710 0.1 1 242 21 26 ARG H H 8.753 0.02 1 243 21 26 ARG HA H 4.390 0.02 1 244 21 26 ARG HB2 H 1.734 0.02 2 245 21 26 ARG HB3 H 1.659 0.02 2 246 21 26 ARG HG2 H 1.440 0.02 2 247 21 26 ARG HG3 H 1.490 0.02 2 248 21 26 ARG HD2 H 3.101 0.02 1 249 21 26 ARG HD3 H 3.101 0.02 1 250 21 26 ARG CA C 56.007 0.1 1 251 21 26 ARG CB C 29.144 0.1 1 252 21 26 ARG CG C 27.246 0.1 1 253 21 26 ARG CD C 43.303 0.1 1 254 21 26 ARG N N 124.080 0.1 1 255 22 27 ILE H H 7.930 0.02 1 256 22 27 ILE HA H 4.356 0.02 1 257 22 27 ILE HB H 1.481 0.02 1 258 22 27 ILE HG12 H 0.538 0.02 2 259 22 27 ILE HG13 H 1.159 0.02 2 260 22 27 ILE HG2 H -0.348 0.02 1 261 22 27 ILE HD1 H 0.230 0.02 1 262 22 27 ILE CA C 58.559 0.1 1 263 22 27 ILE CB C 38.560 0.1 1 264 22 27 ILE CG1 C 25.115 0.1 1 265 22 27 ILE CG2 C 16.150 0.1 1 266 22 27 ILE CD1 C 14.656 0.1 1 267 22 27 ILE N N 120.072 0.1 1 268 23 28 PRO HA H 4.777 0.02 1 269 23 28 PRO HB2 H 1.966 0.02 2 270 23 28 PRO HB3 H 2.381 0.02 2 271 23 28 PRO HG2 H 2.143 0.02 2 272 23 28 PRO HG3 H 2.078 0.02 2 273 23 28 PRO HD2 H 3.798 0.02 2 274 23 28 PRO HD3 H 3.695 0.02 2 275 23 28 PRO CA C 61.226 0.1 1 276 23 28 PRO CB C 30.713 0.1 1 277 23 28 PRO CG C 27.152 0.1 1 278 23 28 PRO CD C 50.878 0.1 1 279 24 29 PRO HA H 4.423 0.02 1 280 24 29 PRO HB2 H 2.262 0.02 2 281 24 29 PRO HB3 H 1.771 0.02 2 282 24 29 PRO HG2 H 2.000 0.02 2 283 24 29 PRO HG3 H 1.996 0.02 2 284 24 29 PRO HD2 H 3.572 0.02 2 285 24 29 PRO HD3 H 3.782 0.02 2 286 24 29 PRO CA C 62.827 0.1 1 287 24 29 PRO CB C 31.926 0.1 1 288 24 29 PRO CG C 27.607 0.1 1 289 24 29 PRO CD C 50.377 0.1 1 290 25 30 ARG H H 8.140 0.02 1 291 25 30 ARG HA H 3.968 0.02 1 292 25 30 ARG HB2 H 1.460 0.02 1 293 25 30 ARG HB3 H 1.460 0.02 1 294 25 30 ARG HG2 H 1.097 0.02 1 295 25 30 ARG HG3 H 1.097 0.02 1 296 25 30 ARG HD2 H 2.815 0.02 2 297 25 30 ARG HD3 H 2.615 0.02 2 298 25 30 ARG CA C 56.343 0.1 1 299 25 30 ARG CB C 31.022 0.1 1 300 25 30 ARG CG C 26.586 0.1 1 301 25 30 ARG CD C 43.311 0.1 1 302 25 30 ARG N N 122.287 0.1 1 303 26 31 ALA H H 8.377 0.02 1 304 26 31 ALA HA H 4.307 0.02 1 305 26 31 ALA HB H 1.313 0.02 1 306 26 31 ALA CA C 51.964 0.1 1 307 26 31 ALA CB C 19.436 0.1 1 308 26 31 ALA N N 127.142 0.1 1 309 27 32 SER H H 8.177 0.02 1 310 27 32 SER HA H 4.166 0.02 1 311 27 32 SER HB2 H 3.774 0.02 1 312 27 32 SER HB3 H 3.774 0.02 1 313 27 32 SER CA C 58.753 0.1 1 314 27 32 SER CB C 63.327 0.1 1 315 27 32 SER N N 114.405 0.1 1 316 28 33 ASN H H 8.357 0.02 1 317 28 33 ASN HA H 4.446 0.02 1 318 28 33 ASN HB2 H 2.775 0.02 2 319 28 33 ASN HB3 H 2.661 0.02 2 320 28 33 ASN HD21 H 7.471 0.02 2 321 28 33 ASN HD22 H 6.737 0.02 2 322 28 33 ASN CA C 53.382 0.1 1 323 28 33 ASN CB C 37.896 0.1 1 324 28 33 ASN N N 118.015 0.1 1 325 28 33 ASN ND2 N 112.314 0.1 1 326 29 34 ARG H H 7.646 0.02 1 327 29 34 ARG HA H 4.248 0.02 1 328 29 34 ARG HB2 H 1.740 0.02 2 329 29 34 ARG HB3 H 1.580 0.02 2 330 29 34 ARG HG2 H 1.490 0.02 1 331 29 34 ARG HG3 H 1.490 0.02 1 332 29 34 ARG HD2 H 3.039 0.02 1 333 29 34 ARG HD3 H 3.039 0.02 1 334 29 34 ARG CA C 55.833 0.1 1 335 29 34 ARG CB C 31.526 0.1 1 336 29 34 ARG CG C 26.787 0.1 1 337 29 34 ARG CD C 43.266 0.1 1 338 29 34 ARG N N 118.608 0.1 1 339 30 35 GLY H H 8.095 0.02 1 340 30 35 GLY HA2 H 3.734 0.02 1 341 30 35 GLY HA3 H 3.734 0.02 1 342 30 35 GLY CA C 44.510 0.1 1 343 30 35 GLY N N 108.123 0.1 1 344 31 36 TYR H H 8.821 0.02 1 345 31 36 TYR HA H 4.474 0.02 1 346 31 36 TYR HB2 H 2.930 0.02 2 347 31 36 TYR HB3 H 2.817 0.02 2 348 31 36 TYR HD1 H 7.288 0.02 1 349 31 36 TYR HD2 H 7.288 0.02 1 350 31 36 TYR HE1 H 6.702 0.02 1 351 31 36 TYR HE2 H 6.702 0.02 1 352 31 36 TYR CA C 59.050 0.1 1 353 31 36 TYR CB C 41.382 0.1 1 354 31 36 TYR CD1 C 133.313 0.1 1 355 31 36 TYR CD2 C 133.313 0.1 1 356 31 36 TYR CE1 C 118.233 0.1 1 357 31 36 TYR CE2 C 118.233 0.1 1 358 31 36 TYR N N 120.102 0.1 1 359 32 37 ARG H H 8.342 0.02 1 360 32 37 ARG HA H 4.294 0.02 1 361 32 37 ARG HB2 H 1.363 0.02 2 362 32 37 ARG HB3 H 1.463 0.02 2 363 32 37 ARG HG2 H 1.200 0.02 2 364 32 37 ARG HG3 H 1.268 0.02 2 365 32 37 ARG HD2 H 2.905 0.02 1 366 32 37 ARG HD3 H 2.905 0.02 1 367 32 37 ARG CA C 55.467 0.1 1 368 32 37 ARG CB C 32.128 0.1 1 369 32 37 ARG CG C 26.895 0.1 1 370 32 37 ARG CD C 43.677 0.1 1 371 32 37 ARG N N 121.676 0.1 1 372 33 38 ALA H H 10.387 0.02 1 373 33 38 ALA HA H 1.477 0.02 1 374 33 38 ALA HB H -0.073 0.02 1 375 33 38 ALA CA C 53.229 0.1 1 376 33 38 ALA CB C 16.759 0.1 1 377 33 38 ALA N N 131.798 0.1 1 378 34 39 SER H H 8.470 0.02 1 379 34 39 SER HA H 3.732 0.02 1 380 34 39 SER HB2 H 3.579 0.02 2 381 34 39 SER HB3 H 3.711 0.02 2 382 34 39 SER CA C 60.198 0.1 1 383 34 39 SER CB C 62.559 0.1 1 384 34 39 SER N N 109.594 0.1 1 385 35 40 ASP H H 7.093 0.02 1 386 35 40 ASP HA H 4.570 0.02 1 387 35 40 ASP HB2 H 2.858 0.02 1 388 35 40 ASP HB3 H 2.858 0.02 1 389 35 40 ASP CA C 55.189 0.1 1 390 35 40 ASP CB C 40.776 0.1 1 391 35 40 ASP N N 119.438 0.1 1 392 36 41 TRP H H 7.864 0.02 1 393 36 41 TRP HA H 4.803 0.02 1 394 36 41 TRP HB2 H 2.938 0.02 2 395 36 41 TRP HB3 H 2.781 0.02 2 396 36 41 TRP HD1 H 6.497 0.02 1 397 36 41 TRP HE1 H 9.662 0.02 1 398 36 41 TRP HE3 H 6.390 0.02 1 399 36 41 TRP HZ2 H 6.549 0.02 1 400 36 41 TRP HZ3 H 6.740 0.02 1 401 36 41 TRP HH2 H 6.839 0.02 1 402 36 41 TRP CA C 53.838 0.1 1 403 36 41 TRP CB C 29.565 0.1 1 404 36 41 TRP CD1 C 124.013 0.1 1 405 36 41 TRP CE3 C 120.971 0.1 1 406 36 41 TRP CZ2 C 112.968 0.1 1 407 36 41 TRP CZ3 C 120.278 0.1 1 408 36 41 TRP CH2 C 124.585 0.1 1 409 36 41 TRP N N 123.949 0.1 1 410 36 41 TRP NE1 N 126.622 0.1 1 411 37 42 LYS H H 8.933 0.02 1 412 37 42 LYS HA H 4.540 0.02 1 413 37 42 LYS HB2 H 1.883 0.02 1 414 37 42 LYS HB3 H 1.883 0.02 1 415 37 42 LYS HG2 H 1.450 0.02 2 416 37 42 LYS HG3 H 1.500 0.02 2 417 37 42 LYS HD2 H 1.710 0.02 1 418 37 42 LYS HD3 H 1.710 0.02 1 419 37 42 LYS HE2 H 3.010 0.02 1 420 37 42 LYS HE3 H 3.010 0.02 1 421 37 42 LYS CA C 54.624 0.1 1 422 37 42 LYS CB C 29.512 0.1 1 423 37 42 LYS CG C 24.539 0.1 1 424 37 42 LYS CD C 29.200 0.1 1 425 37 42 LYS CE C 42.210 0.1 1 426 37 42 LYS N N 122.827 0.1 1 427 38 43 LEU H H 7.458 0.02 1 428 38 43 LEU HA H 3.927 0.02 1 429 38 43 LEU HB2 H 1.539 0.02 2 430 38 43 LEU HB3 H 1.176 0.02 2 431 38 43 LEU HG H 1.263 0.02 1 432 38 43 LEU HD1 H -0.084 0.02 2 433 38 43 LEU HD2 H 0.288 0.02 2 434 38 43 LEU CA C 57.669 0.1 1 435 38 43 LEU CB C 41.705 0.1 1 436 38 43 LEU CG C 25.617 0.1 1 437 38 43 LEU CD1 C 24.468 0.1 2 438 38 43 LEU CD2 C 24.468 0.1 2 439 38 43 LEU N N 120.286 0.1 1 440 39 44 ASP H H 8.779 0.02 1 441 39 44 ASP HA H 4.547 0.02 1 442 39 44 ASP HB2 H 2.752 0.02 2 443 39 44 ASP HB3 H 2.641 0.02 2 444 39 44 ASP CA C 53.940 0.1 1 445 39 44 ASP CB C 39.980 0.1 1 446 39 44 ASP N N 115.093 0.1 1 447 40 45 GLN H H 7.964 0.02 1 448 40 45 GLN HA H 4.776 0.02 1 449 40 45 GLN HB2 H 1.759 0.02 2 450 40 45 GLN HB3 H 2.030 0.02 2 451 40 45 GLN HG2 H 2.155 0.02 1 452 40 45 GLN HG3 H 2.155 0.02 1 453 40 45 GLN HE21 H 7.537 0.02 2 454 40 45 GLN HE22 H 6.747 0.02 2 455 40 45 GLN CA C 53.297 0.1 1 456 40 45 GLN CB C 30.082 0.1 1 457 40 45 GLN CG C 33.509 0.1 1 458 40 45 GLN N N 119.258 0.1 1 459 40 45 GLN NE2 N 112.147 0.1 1 460 41 46 PRO HA H 4.077 0.02 1 461 41 46 PRO HB2 H 1.564 0.02 1 462 41 46 PRO HB3 H 1.564 0.02 1 463 41 46 PRO HG2 H 1.864 0.02 2 464 41 46 PRO HG3 H 1.767 0.02 2 465 41 46 PRO HD2 H 3.425 0.02 2 466 41 46 PRO HD3 H 3.508 0.02 2 467 41 46 PRO CA C 63.324 0.1 1 468 41 46 PRO CB C 31.610 0.1 1 469 41 46 PRO CG C 26.923 0.1 1 470 41 46 PRO CD C 50.186 0.1 1 471 42 47 ASP H H 8.585 0.02 1 472 42 47 ASP HA H 4.399 0.02 1 473 42 47 ASP HB2 H 2.576 0.02 2 474 42 47 ASP HB3 H 2.165 0.02 2 475 42 47 ASP CA C 56.872 0.1 1 476 42 47 ASP CB C 43.027 0.1 1 477 42 47 ASP N N 122.869 0.1 1 478 43 48 TRP H H 7.609 0.02 1 479 43 48 TRP HA H 4.234 0.02 1 480 43 48 TRP HB2 H 2.945 0.02 1 481 43 48 TRP HB3 H 1.965 0.02 1 482 43 48 TRP HD1 H 6.763 0.02 1 483 43 48 TRP HE1 H 10.117 0.02 1 484 43 48 TRP HE3 H 6.558 0.02 1 485 43 48 TRP HZ2 H 6.766 0.02 1 486 43 48 TRP HZ3 H 6.288 0.02 1 487 43 48 TRP HH2 H 6.987 0.02 1 488 43 48 TRP CA C 58.132 0.1 1 489 43 48 TRP CB C 31.112 0.1 1 490 43 48 TRP CD1 C 127.610 0.1 1 491 43 48 TRP CE3 C 119.393 0.1 1 492 43 48 TRP CZ2 C 113.255 0.1 1 493 43 48 TRP CZ3 C 120.978 0.1 1 494 43 48 TRP CH2 C 123.591 0.1 1 495 43 48 TRP N N 118.045 0.1 1 496 43 48 TRP NE1 N 129.751 0.1 1 497 44 49 THR H H 6.610 0.02 1 498 44 49 THR HA H 4.631 0.02 1 499 44 49 THR HB H 3.688 0.02 1 500 44 49 THR HG2 H 0.866 0.02 1 501 44 49 THR CA C 60.137 0.1 1 502 44 49 THR CB C 71.874 0.1 1 503 44 49 THR CG2 C 21.330 0.1 1 504 44 49 THR N N 117.498 0.1 1 505 45 50 GLY H H 7.540 0.02 1 506 45 50 GLY HA2 H 3.459 0.02 2 507 45 50 GLY HA3 H 3.358 0.02 2 508 45 50 GLY CA C 47.058 0.1 1 509 45 50 GLY N N 110.169 0.1 1 510 46 51 ARG H H 8.921 0.02 1 511 46 51 ARG HA H 4.774 0.02 1 512 46 51 ARG HB2 H 1.719 0.02 2 513 46 51 ARG HB3 H 1.903 0.02 2 514 46 51 ARG HG2 H 1.518 0.02 1 515 46 51 ARG HG3 H 1.518 0.02 1 516 46 51 ARG HD2 H 2.971 0.02 2 517 46 51 ARG HD3 H 3.133 0.02 2 518 46 51 ARG CA C 54.406 0.1 1 519 46 51 ARG CB C 33.280 0.1 1 520 46 51 ARG CG C 27.239 0.1 1 521 46 51 ARG CD C 44.211 0.1 1 522 46 51 ARG N N 121.617 0.1 1 523 47 52 LEU H H 8.817 0.02 1 524 47 52 LEU HA H 5.589 0.02 1 525 47 52 LEU HB2 H 1.501 0.02 1 526 47 52 LEU HB3 H 1.501 0.02 1 527 47 52 LEU HG H 1.599 0.02 1 528 47 52 LEU HD1 H 0.839 0.02 2 529 47 52 LEU HD2 H 0.734 0.02 2 530 47 52 LEU CA C 53.509 0.1 1 531 47 52 LEU CB C 46.753 0.1 1 532 47 52 LEU CG C 26.900 0.1 1 533 47 52 LEU CD1 C 25.860 0.1 2 534 47 52 LEU CD2 C 27.848 0.1 2 535 47 52 LEU N N 123.698 0.1 1 536 48 53 ARG H H 9.436 0.02 1 537 48 53 ARG HA H 5.391 0.02 1 538 48 53 ARG HB2 H 1.503 0.02 2 539 48 53 ARG HB3 H 1.644 0.02 2 540 48 53 ARG HG2 H 1.545 0.02 1 541 48 53 ARG HG3 H 1.545 0.02 1 542 48 53 ARG HD2 H 3.111 0.02 2 543 48 53 ARG HD3 H 2.953 0.02 2 544 48 53 ARG CA C 55.181 0.1 1 545 48 53 ARG CB C 35.295 0.1 1 546 48 53 ARG CG C 28.502 0.1 1 547 48 53 ARG CD C 44.205 0.1 1 548 48 53 ARG N N 124.473 0.1 1 549 49 54 ILE H H 8.868 0.02 1 550 49 54 ILE HA H 5.479 0.02 1 551 49 54 ILE HB H 1.504 0.02 1 552 49 54 ILE HG12 H 0.812 0.02 2 553 49 54 ILE HG13 H 1.534 0.02 2 554 49 54 ILE HG2 H 0.583 0.02 1 555 49 54 ILE HD1 H 0.590 0.02 1 556 49 54 ILE CA C 59.597 0.1 1 557 49 54 ILE CB C 39.190 0.1 1 558 49 54 ILE CG1 C 27.391 0.1 1 559 49 54 ILE CG2 C 17.862 0.1 1 560 49 54 ILE CD1 C 13.639 0.1 1 561 49 54 ILE N N 121.558 0.1 1 562 50 55 THR H H 9.244 0.02 1 563 50 55 THR HA H 5.410 0.02 1 564 50 55 THR HB H 4.238 0.02 1 565 50 55 THR HG2 H 0.880 0.02 1 566 50 55 THR CA C 59.181 0.1 1 567 50 55 THR CB C 70.807 0.1 1 568 50 55 THR CG2 C 22.090 0.1 1 569 50 55 THR N N 119.668 0.1 1 570 51 56 SER H H 8.870 0.02 1 571 51 56 SER HA H 5.056 0.02 1 572 51 56 SER HB2 H 3.532 0.02 2 573 51 56 SER HB3 H 3.156 0.02 2 574 51 56 SER CA C 57.375 0.1 1 575 51 56 SER CB C 66.004 0.1 1 576 51 56 SER N N 111.533 0.1 1 577 52 57 LYS H H 8.446 0.02 1 578 52 57 LYS HA H 4.605 0.02 1 579 52 57 LYS HB2 H 1.648 0.02 2 580 52 57 LYS HB3 H 1.905 0.02 2 581 52 57 LYS HG2 H 1.261 0.02 1 582 52 57 LYS HG3 H 1.261 0.02 1 583 52 57 LYS HD2 H 1.500 0.02 1 584 52 57 LYS HD3 H 1.500 0.02 1 585 52 57 LYS HE2 H 2.731 0.02 1 586 52 57 LYS HE3 H 2.731 0.02 1 587 52 57 LYS CA C 56.421 0.1 1 588 52 57 LYS CB C 34.445 0.1 1 589 52 57 LYS CG C 25.088 0.1 1 590 52 57 LYS CD C 29.320 0.1 1 591 52 57 LYS CE C 41.771 0.1 1 592 52 57 LYS N N 123.491 0.1 1 593 53 58 GLY H H 8.946 0.02 1 594 53 58 GLY HA2 H 4.103 0.02 2 595 53 58 GLY HA3 H 3.658 0.02 2 596 53 58 GLY CA C 46.643 0.1 1 597 53 58 GLY N N 115.845 0.1 1 598 54 59 LYS H H 8.788 0.02 1 599 54 59 LYS HA H 4.166 0.02 1 600 54 59 LYS HB2 H 1.783 0.02 2 601 54 59 LYS HB3 H 1.973 0.02 2 602 54 59 LYS HG2 H 1.292 0.02 1 603 54 59 LYS HG3 H 1.292 0.02 1 604 54 59 LYS HD2 H 1.576 0.02 1 605 54 59 LYS HD3 H 1.576 0.02 1 606 54 59 LYS HE2 H 2.870 0.02 1 607 54 59 LYS HE3 H 2.870 0.02 1 608 54 59 LYS CA C 57.669 0.1 1 609 54 59 LYS CB C 32.653 0.1 1 610 54 59 LYS CG C 25.117 0.1 1 611 54 59 LYS CD C 29.219 0.1 1 612 54 59 LYS CE C 42.116 0.1 1 613 54 59 LYS N N 124.780 0.1 1 614 55 60 THR H H 7.723 0.02 1 615 55 60 THR HA H 4.277 0.02 1 616 55 60 THR HB H 3.839 0.02 1 617 55 60 THR HG2 H 0.616 0.02 1 618 55 60 THR CA C 63.720 0.1 1 619 55 60 THR CB C 70.138 0.1 1 620 55 60 THR CG2 C 21.833 0.1 1 621 55 60 THR N N 118.038 0.1 1 622 56 61 ALA H H 8.171 0.02 1 623 56 61 ALA HA H 4.963 0.02 1 624 56 61 ALA HB H 0.715 0.02 1 625 56 61 ALA CA C 49.395 0.1 1 626 56 61 ALA CB C 20.238 0.1 1 627 56 61 ALA N N 126.913 0.1 1 628 57 62 TYR H H 9.184 0.02 1 629 57 62 TYR HA H 4.788 0.02 1 630 57 62 TYR HB2 H 2.967 0.02 2 631 57 62 TYR HB3 H 2.230 0.02 2 632 57 62 TYR HD1 H 6.585 0.02 1 633 57 62 TYR HD2 H 6.585 0.02 1 634 57 62 TYR HE1 H 6.555 0.02 1 635 57 62 TYR HE2 H 6.555 0.02 1 636 57 62 TYR CA C 57.076 0.1 1 637 57 62 TYR CB C 40.494 0.1 1 638 57 62 TYR CD1 C 132.627 0.1 1 639 57 62 TYR CD2 C 132.627 0.1 1 640 57 62 TYR CE1 C 117.808 0.1 1 641 57 62 TYR CE2 C 117.808 0.1 1 642 57 62 TYR N N 117.752 0.1 1 643 58 63 ILE H H 8.578 0.02 1 644 58 63 ILE HA H 4.351 0.02 1 645 58 63 ILE HB H 1.983 0.02 1 646 58 63 ILE HG12 H 1.686 0.02 1 647 58 63 ILE HG13 H 1.686 0.02 1 648 58 63 ILE HG2 H 0.830 0.02 1 649 58 63 ILE HD1 H 0.879 0.02 1 650 58 63 ILE CA C 61.100 0.1 1 651 58 63 ILE CB C 38.284 0.1 1 652 58 63 ILE CG1 C 27.528 0.1 1 653 58 63 ILE CG2 C 17.801 0.1 1 654 58 63 ILE CD1 C 15.249 0.1 1 655 58 63 ILE N N 122.354 0.1 1 656 59 64 LYS H H 9.583 0.02 1 657 59 64 LYS HA H 4.612 0.02 1 658 59 64 LYS HB2 H 1.476 0.02 2 659 59 64 LYS HB3 H 1.795 0.02 2 660 59 64 LYS HG2 H 1.278 0.02 1 661 59 64 LYS HG3 H 1.278 0.02 1 662 59 64 LYS HD2 H 1.506 0.02 1 663 59 64 LYS HD3 H 1.506 0.02 1 664 59 64 LYS HE2 H 2.750 0.02 1 665 59 64 LYS HE3 H 2.750 0.02 1 666 59 64 LYS CA C 56.297 0.1 1 667 59 64 LYS CB C 34.492 0.1 1 668 59 64 LYS CG C 25.127 0.1 1 669 59 64 LYS CD C 29.466 0.1 1 670 59 64 LYS CE C 41.987 0.1 1 671 59 64 LYS N N 127.205 0.1 1 672 60 65 LEU H H 8.503 0.02 1 673 60 65 LEU HA H 5.341 0.02 1 674 60 65 LEU HB2 H 1.672 0.02 2 675 60 65 LEU HB3 H 1.316 0.02 2 676 60 65 LEU HG H 1.405 0.02 1 677 60 65 LEU HD1 H 0.721 0.02 2 678 60 65 LEU HD2 H 0.592 0.02 2 679 60 65 LEU CA C 53.260 0.1 1 680 60 65 LEU CB C 40.937 0.1 1 681 60 65 LEU CG C 26.932 0.1 1 682 60 65 LEU CD1 C 24.319 0.1 2 683 60 65 LEU CD2 C 26.113 0.1 2 684 60 65 LEU N N 124.258 0.1 1 685 61 66 GLU H H 9.275 0.02 1 686 61 66 GLU HA H 5.107 0.02 1 687 61 66 GLU HB2 H 1.717 0.02 2 688 61 66 GLU HB3 H 1.562 0.02 2 689 61 66 GLU HG2 H 1.952 0.02 1 690 61 66 GLU HG3 H 1.952 0.02 1 691 61 66 GLU CA C 53.857 0.1 1 692 61 66 GLU CB C 34.010 0.1 1 693 61 66 GLU CG C 36.327 0.1 1 694 61 66 GLU N N 123.992 0.1 1 695 62 67 ASP H H 8.883 0.02 1 696 62 67 ASP HA H 4.757 0.02 1 697 62 67 ASP HB2 H 2.986 0.02 2 698 62 67 ASP HB3 H 2.803 0.02 2 699 62 67 ASP CA C 55.283 0.1 1 700 62 67 ASP CB C 44.007 0.1 1 701 62 67 ASP N N 122.655 0.1 1 702 63 68 LYS H H 8.938 0.02 1 703 63 68 LYS HA H 3.808 0.02 1 704 63 68 LYS HB2 H 1.772 0.02 2 705 63 68 LYS HB3 H 1.666 0.02 2 706 63 68 LYS HG2 H 1.307 0.02 2 707 63 68 LYS HG3 H 1.387 0.02 2 708 63 68 LYS HD2 H 1.574 0.02 2 709 63 68 LYS HD3 H 1.472 0.02 2 710 63 68 LYS HE2 H 2.844 0.02 2 711 63 68 LYS HE3 H 2.712 0.02 2 712 63 68 LYS CA C 59.126 0.1 1 713 63 68 LYS CB C 33.212 0.1 1 714 63 68 LYS CG C 25.130 0.1 1 715 63 68 LYS CD C 29.500 0.1 1 716 63 68 LYS CE C 42.075 0.1 1 717 63 68 LYS N N 124.613 0.1 1 718 64 69 VAL H H 8.523 0.02 1 719 64 69 VAL HA H 3.923 0.02 1 720 64 69 VAL HB H 2.059 0.02 1 721 64 69 VAL HG1 H 0.829 0.02 2 722 64 69 VAL HG2 H 0.840 0.02 2 723 64 69 VAL CA C 64.577 0.1 1 724 64 69 VAL CB C 32.510 0.1 1 725 64 69 VAL CG1 C 20.892 0.1 2 726 64 69 VAL CG2 C 21.833 0.1 2 727 64 69 VAL N N 119.195 0.1 1 728 65 70 SER H H 9.054 0.02 1 729 65 70 SER HA H 4.387 0.02 1 730 65 70 SER HB2 H 4.051 0.02 2 731 65 70 SER HB3 H 3.798 0.02 2 732 65 70 SER CA C 58.729 0.1 1 733 65 70 SER CB C 65.443 0.1 1 734 65 70 SER N N 114.593 0.1 1 735 66 71 GLY H H 7.846 0.02 1 736 66 71 GLY HA2 H 4.064 0.02 2 737 66 71 GLY HA3 H 3.706 0.02 2 738 66 71 GLY CA C 46.014 0.1 1 739 66 71 GLY N N 111.250 0.1 1 740 67 72 GLU H H 7.829 0.02 1 741 67 72 GLU HA H 3.971 0.02 1 742 67 72 GLU HB2 H 1.854 0.02 2 743 67 72 GLU HB3 H 1.856 0.02 2 744 67 72 GLU HG2 H 2.182 0.02 2 745 67 72 GLU HG3 H 2.126 0.02 2 746 67 72 GLU CA C 57.006 0.1 1 747 67 72 GLU CB C 30.554 0.1 1 748 67 72 GLU CG C 36.260 0.1 1 749 67 72 GLU N N 119.858 0.1 1 750 68 73 LEU H H 8.679 0.02 1 751 68 73 LEU HA H 4.125 0.02 1 752 68 73 LEU HB2 H 1.704 0.02 2 753 68 73 LEU HB3 H 1.483 0.02 2 754 68 73 LEU HG H 1.106 0.02 1 755 68 73 LEU HD1 H 0.682 0.02 2 756 68 73 LEU HD2 H 0.854 0.02 2 757 68 73 LEU CA C 56.352 0.1 1 758 68 73 LEU CB C 42.573 0.1 1 759 68 73 LEU CG C 26.598 0.1 1 760 68 73 LEU CD1 C 25.895 0.1 2 761 68 73 LEU CD2 C 24.048 0.1 2 762 68 73 LEU N N 127.041 0.1 1 763 69 74 PHE H H 9.576 0.02 1 764 69 74 PHE HA H 4.281 0.02 1 765 69 74 PHE HB2 H 1.850 0.02 2 766 69 74 PHE HB3 H 2.718 0.02 2 767 69 74 PHE HD1 H 6.136 0.02 1 768 69 74 PHE HD2 H 6.136 0.02 1 769 69 74 PHE HE1 H 6.532 0.02 1 770 69 74 PHE HE2 H 6.532 0.02 1 771 69 74 PHE HZ H 6.648 0.02 1 772 69 74 PHE CA C 58.990 0.1 1 773 69 74 PHE CB C 40.157 0.1 1 774 69 74 PHE CD1 C 131.049 0.1 1 775 69 74 PHE CD2 C 131.049 0.1 1 776 69 74 PHE CE1 C 129.630 0.1 1 777 69 74 PHE CE2 C 129.630 0.1 1 778 69 74 PHE CZ C 128.013 0.1 1 779 69 74 PHE N N 131.516 0.1 1 780 70 75 ALA H H 7.619 0.02 1 781 70 75 ALA HA H 4.076 0.02 1 782 70 75 ALA HB H 0.858 0.02 1 783 70 75 ALA CA C 51.580 0.1 1 784 70 75 ALA CB C 22.542 0.1 1 785 70 75 ALA N N 116.504 0.1 1 786 71 76 GLN H H 8.827 0.02 1 787 71 76 GLN HA H 5.601 0.02 1 788 71 76 GLN HB2 H 1.879 0.02 2 789 71 76 GLN HB3 H 2.017 0.02 2 790 71 76 GLN HG2 H 2.223 0.02 2 791 71 76 GLN HG3 H 2.046 0.02 2 792 71 76 GLN HE21 H 7.489 0.02 2 793 71 76 GLN HE22 H 6.326 0.02 2 794 71 76 GLN CA C 53.817 0.1 1 795 71 76 GLN CB C 33.706 0.1 1 796 71 76 GLN CG C 32.850 0.1 1 797 71 76 GLN N N 115.665 0.1 1 798 71 76 GLN NE2 N 109.094 0.1 1 799 72 77 ALA H H 9.179 0.02 1 800 72 77 ALA HA H 5.376 0.02 1 801 72 77 ALA HB H 1.163 0.02 1 802 72 77 ALA CA C 48.172 0.1 1 803 72 77 ALA CB C 23.161 0.1 1 804 72 77 ALA N N 125.147 0.1 1 805 73 78 PRO HA H 4.454 0.02 1 806 73 78 PRO HB2 H 2.023 0.02 2 807 73 78 PRO HB3 H 1.755 0.02 2 808 73 78 PRO HG2 H 2.161 0.02 2 809 73 78 PRO HG3 H 1.951 0.02 2 810 73 78 PRO HD2 H 3.881 0.02 2 811 73 78 PRO HD3 H 3.923 0.02 2 812 73 78 PRO CA C 61.884 0.1 1 813 73 78 PRO CB C 32.017 0.1 1 814 73 78 PRO CG C 27.597 0.1 1 815 73 78 PRO CD C 51.250 0.1 1 816 74 79 VAL H H 9.455 0.02 1 817 74 79 VAL HA H 3.957 0.02 1 818 74 79 VAL HB H 1.973 0.02 1 819 74 79 VAL HG1 H 0.694 0.02 2 820 74 79 VAL HG2 H 0.780 0.02 2 821 74 79 VAL CA C 62.235 0.1 1 822 74 79 VAL CB C 33.464 0.1 1 823 74 79 VAL CG1 C 20.143 0.1 2 824 74 79 VAL CG2 C 22.749 0.1 2 825 74 79 VAL N N 126.570 0.1 1 826 75 80 GLU H H 8.800 0.02 1 827 75 80 GLU HA H 4.662 0.02 1 828 75 80 GLU HB2 H 2.157 0.02 2 829 75 80 GLU HB3 H 1.857 0.02 2 830 75 80 GLU HG2 H 2.119 0.02 2 831 75 80 GLU HG3 H 2.187 0.02 2 832 75 80 GLU CA C 56.716 0.1 1 833 75 80 GLU CB C 31.137 0.1 1 834 75 80 GLU CG C 36.443 0.1 1 835 75 80 GLU N N 124.013 0.1 1 836 76 81 GLN H H 7.043 0.02 1 837 76 81 GLN HA H 3.806 0.02 1 838 76 81 GLN HB2 H 1.839 0.02 1 839 76 81 GLN HB3 H 1.839 0.02 1 840 76 81 GLN HG2 H 2.129 0.02 1 841 76 81 GLN HG3 H 2.129 0.02 1 842 76 81 GLN HE21 H 7.480 0.02 2 843 76 81 GLN HE22 H 6.815 0.02 2 844 76 81 GLN CA C 54.983 0.1 1 845 76 81 GLN CB C 31.732 0.1 1 846 76 81 GLN CG C 33.530 0.1 1 847 76 81 GLN N N 115.661 0.1 1 848 76 81 GLN NE2 N 111.947 0.1 1 849 77 82 TYR H H 7.471 0.02 1 850 77 82 TYR HA H 4.157 0.02 1 851 77 82 TYR HB2 H 2.162 0.02 2 852 77 82 TYR HB3 H 1.992 0.02 2 853 77 82 TYR HD1 H 6.737 0.02 1 854 77 82 TYR HD2 H 6.737 0.02 1 855 77 82 TYR HE1 H 6.647 0.02 1 856 77 82 TYR HE2 H 6.647 0.02 1 857 77 82 TYR CA C 55.884 0.1 1 858 77 82 TYR CB C 42.495 0.1 1 859 77 82 TYR CD1 C 132.071 0.1 1 860 77 82 TYR CD2 C 132.071 0.1 1 861 77 82 TYR CE1 C 118.704 0.1 1 862 77 82 TYR CE2 C 118.704 0.1 1 863 77 82 TYR N N 123.232 0.1 1 864 78 83 PRO HA H 3.654 0.02 1 865 78 83 PRO HB2 H 1.949 0.02 2 866 78 83 PRO HB3 H 1.754 0.02 2 867 78 83 PRO HG2 H 1.634 0.02 2 868 78 83 PRO HG3 H 1.423 0.02 2 869 78 83 PRO HD2 H 3.144 0.02 2 870 78 83 PRO HD3 H 3.312 0.02 2 871 78 83 PRO CA C 63.011 0.1 1 872 78 83 PRO CB C 34.124 0.1 1 873 78 83 PRO CG C 25.303 0.1 1 874 78 83 PRO CD C 49.956 0.1 1 875 79 84 GLY H H 8.716 0.02 1 876 79 84 GLY HA2 H 3.996 0.02 2 877 79 84 GLY HA3 H 3.874 0.02 2 878 79 84 GLY CA C 46.112 0.1 1 879 79 84 GLY N N 109.031 0.1 1 880 80 85 ILE H H 7.981 0.02 1 881 80 85 ILE HA H 4.130 0.02 1 882 80 85 ILE HB H 1.953 0.02 1 883 80 85 ILE HG12 H 1.336 0.02 2 884 80 85 ILE HG13 H 1.521 0.02 2 885 80 85 ILE HG2 H 0.935 0.02 1 886 80 85 ILE HD1 H 0.931 0.02 1 887 80 85 ILE CA C 62.221 0.1 1 888 80 85 ILE CB C 39.209 0.1 1 889 80 85 ILE CG1 C 28.058 0.1 1 890 80 85 ILE CG2 C 17.648 0.1 1 891 80 85 ILE CD1 C 14.181 0.1 1 892 80 85 ILE N N 115.841 0.1 1 893 81 86 ALA H H 8.574 0.02 1 894 81 86 ALA HA H 4.272 0.02 1 895 81 86 ALA HB H 1.681 0.02 1 896 81 86 ALA CA C 54.598 0.1 1 897 81 86 ALA CB C 21.634 0.1 1 898 81 86 ALA N N 120.969 0.1 1 899 82 87 VAL H H 7.270 0.02 1 900 82 87 VAL HA H 4.945 0.02 1 901 82 87 VAL HB H 2.193 0.02 1 902 82 87 VAL HG1 H 0.900 0.02 2 903 82 87 VAL HG2 H 1.026 0.02 2 904 82 87 VAL CA C 61.335 0.1 1 905 82 87 VAL CB C 35.354 0.1 1 906 82 87 VAL CG1 C 21.349 0.1 2 907 82 87 VAL CG2 C 21.333 0.1 2 908 82 87 VAL N N 112.151 0.1 1 909 83 88 GLU H H 9.525 0.02 1 910 83 88 GLU HA H 5.123 0.02 1 911 83 88 GLU HB2 H 2.083 0.02 2 912 83 88 GLU HB3 H 2.211 0.02 2 913 83 88 GLU HG2 H 2.556 0.02 1 914 83 88 GLU HG3 H 2.556 0.02 1 915 83 88 GLU CA C 55.122 0.1 1 916 83 88 GLU CB C 33.931 0.1 1 917 83 88 GLU CG C 36.654 0.1 1 918 83 88 GLU N N 126.541 0.1 1 919 84 89 THR H H 8.520 0.02 1 920 84 89 THR HA H 4.453 0.02 1 921 84 89 THR HB H 4.553 0.02 1 922 84 89 THR HG2 H 1.441 0.02 1 923 84 89 THR CA C 61.945 0.1 1 924 84 89 THR CB C 70.043 0.1 1 925 84 89 THR CG2 C 22.479 0.1 1 926 84 89 THR N N 115.342 0.1 1 927 85 90 VAL H H 7.655 0.02 1 928 85 90 VAL HA H 4.666 0.02 1 929 85 90 VAL HB H 2.111 0.02 1 930 85 90 VAL HG1 H 0.873 0.02 2 931 85 90 VAL HG2 H 0.589 0.02 2 932 85 90 VAL CA C 60.843 0.1 1 933 85 90 VAL CB C 32.459 0.1 1 934 85 90 VAL CG1 C 21.899 0.1 2 935 85 90 VAL CG2 C 21.815 0.1 2 936 85 90 VAL N N 113.404 0.1 1 937 86 91 THR H H 8.585 0.02 1 938 86 91 THR HA H 4.117 0.02 1 939 86 91 THR HB H 4.247 0.02 1 940 86 91 THR HG2 H 1.246 0.02 1 941 86 91 THR CA C 63.955 0.1 1 942 86 91 THR CB C 70.007 0.1 1 943 86 91 THR CG2 C 21.833 0.1 1 944 86 91 THR N N 109.248 0.1 1 945 87 92 ASP H H 9.257 0.02 1 946 87 92 ASP HA H 4.581 0.02 1 947 87 92 ASP HB2 H 2.762 0.02 2 948 87 92 ASP HB3 H 2.245 0.02 2 949 87 92 ASP CA C 53.053 0.1 1 950 87 92 ASP CB C 40.798 0.1 1 951 87 92 ASP N N 117.745 0.1 1 952 88 93 SER H H 7.008 0.02 1 953 88 93 SER HA H 4.512 0.02 1 954 88 93 SER HB2 H 3.006 0.02 2 955 88 93 SER HB3 H 3.966 0.02 2 956 88 93 SER CA C 57.678 0.1 1 957 88 93 SER CB C 64.021 0.1 1 958 88 93 SER N N 112.427 0.1 1 959 89 94 SER HA H 4.650 0.02 1 960 89 94 SER HB2 H 3.931 0.02 1 961 89 94 SER HB3 H 3.931 0.02 1 962 89 94 SER CA C 58.451 0.1 1 963 89 94 SER CB C 64.010 0.1 1 964 90 95 ARG H H 7.990 0.02 1 965 90 95 ARG HA H 4.250 0.02 1 966 90 95 ARG HB2 H 1.897 0.02 2 967 90 95 ARG HB3 H 1.415 0.02 2 968 90 95 ARG HG2 H 1.090 0.02 2 969 90 95 ARG HG3 H 1.420 0.02 2 970 90 95 ARG HD2 H 2.913 0.02 2 971 90 95 ARG HD3 H 3.084 0.02 2 972 90 95 ARG CA C 56.619 0.1 1 973 90 95 ARG CB C 31.511 0.1 1 974 90 95 ARG CG C 29.213 0.1 1 975 90 95 ARG CD C 43.454 0.1 1 976 90 95 ARG N N 115.937 0.1 1 977 91 96 TYR H H 6.164 0.02 1 978 91 96 TYR HA H 5.768 0.02 1 979 91 96 TYR HB2 H 3.044 0.02 2 980 91 96 TYR HB3 H 2.086 0.02 2 981 91 96 TYR HD1 H 6.878 0.02 1 982 91 96 TYR HD2 H 6.878 0.02 1 983 91 96 TYR HE1 H 6.504 0.02 1 984 91 96 TYR HE2 H 6.504 0.02 1 985 91 96 TYR CA C 56.064 0.1 1 986 91 96 TYR CB C 42.517 0.1 1 987 91 96 TYR CD1 C 133.766 0.1 1 988 91 96 TYR CD2 C 133.766 0.1 1 989 91 96 TYR CE1 C 117.549 0.1 1 990 91 96 TYR CE2 C 117.549 0.1 1 991 91 96 TYR N N 112.051 0.1 1 992 92 97 PHE H H 9.154 0.02 1 993 92 97 PHE HA H 5.226 0.02 1 994 92 97 PHE HB2 H 3.100 0.02 1 995 92 97 PHE HB3 H 2.485 0.02 1 996 92 97 PHE HD1 H 6.971 0.02 1 997 92 97 PHE HD2 H 6.971 0.02 1 998 92 97 PHE HE1 H 7.268 0.02 1 999 92 97 PHE HE2 H 7.268 0.02 1 1000 92 97 PHE HZ H 7.387 0.02 1 1001 92 97 PHE CA C 56.268 0.1 1 1002 92 97 PHE CB C 44.023 0.1 1 1003 92 97 PHE CD1 C 131.693 0.1 1 1004 92 97 PHE CD2 C 131.693 0.1 1 1005 92 97 PHE CE1 C 131.097 0.1 1 1006 92 97 PHE CE2 C 131.097 0.1 1 1007 92 97 PHE CZ C 130.010 0.1 1 1008 92 97 PHE N N 116.624 0.1 1 1009 93 98 VAL H H 9.533 0.02 1 1010 93 98 VAL HA H 4.971 0.02 1 1011 93 98 VAL HB H 1.530 0.02 1 1012 93 98 VAL HG1 H 0.258 0.02 2 1013 93 98 VAL HG2 H 0.617 0.02 2 1014 93 98 VAL CA C 61.982 0.1 1 1015 93 98 VAL CG1 C 21.602 0.1 2 1016 93 98 VAL CG2 C 21.272 0.1 2 1017 93 98 VAL N N 121.283 0.1 1 1018 94 99 ILE H H 9.306 0.02 1 1019 94 99 ILE HA H 5.766 0.02 1 1020 94 99 ILE HB H 1.743 0.02 1 1021 94 99 ILE HG12 H 1.360 0.02 2 1022 94 99 ILE HG13 H 1.043 0.02 2 1023 94 99 ILE HG2 H 0.958 0.02 1 1024 94 99 ILE HD1 H 0.668 0.02 1 1025 94 99 ILE CA C 57.991 0.1 1 1026 94 99 ILE CB C 41.419 0.1 1 1027 94 99 ILE CG1 C 26.049 0.1 1 1028 94 99 ILE CG2 C 17.690 0.1 1 1029 94 99 ILE CD1 C 13.970 0.1 1 1030 94 99 ILE N N 121.568 0.1 1 1031 95 100 ARG H H 8.308 0.02 1 1032 95 100 ARG HA H 4.674 0.02 1 1033 95 100 ARG HB2 H 1.472 0.02 2 1034 95 100 ARG HB3 H 2.001 0.02 2 1035 95 100 ARG HD2 H 2.959 0.02 1 1036 95 100 ARG HD3 H 2.959 0.02 1 1037 95 100 ARG CA C 53.743 0.1 1 1038 95 100 ARG CB C 31.208 0.1 1 1039 95 100 ARG CD C 43.701 0.1 1 1040 95 100 ARG N N 124.146 0.1 1 1041 96 101 ILE H H 8.437 0.02 1 1042 96 101 ILE HA H 4.533 0.02 1 1043 96 101 ILE HB H 1.731 0.02 1 1044 96 101 ILE HG12 H 0.745 0.02 2 1045 96 101 ILE HG13 H 1.237 0.02 2 1046 96 101 ILE HG2 H 0.556 0.02 1 1047 96 101 ILE HD1 H 0.476 0.02 1 1048 96 101 ILE CA C 60.293 0.1 1 1049 96 101 ILE CB C 39.189 0.1 1 1050 96 101 ILE CG1 C 25.869 0.1 1 1051 96 101 ILE CG2 C 18.637 0.1 1 1052 96 101 ILE CD1 C 13.474 0.1 1 1053 96 101 ILE N N 121.044 0.1 1 1054 97 102 GLN H H 8.171 0.02 1 1055 97 102 GLN HA H 5.090 0.02 1 1056 97 102 GLN HB2 H 1.747 0.02 2 1057 97 102 GLN HB3 H 1.913 0.02 2 1058 97 102 GLN HG2 H 2.057 0.02 2 1059 97 102 GLN HG3 H 2.263 0.02 2 1060 97 102 GLN HE21 H 6.793 0.02 2 1061 97 102 GLN HE22 H 7.342 0.02 2 1062 97 102 GLN CA C 54.874 0.1 1 1063 97 102 GLN CB C 33.119 0.1 1 1064 97 102 GLN CG C 34.362 0.1 1 1065 97 102 GLN N N 117.587 0.1 1 1066 97 102 GLN NE2 N 111.066 0.1 1 1067 98 103 ASP H H 8.319 0.02 1 1068 98 103 ASP HA H 4.711 0.02 1 1069 98 103 ASP HB2 H 3.087 0.02 2 1070 98 103 ASP HB3 H 2.531 0.02 2 1071 98 103 ASP CA C 52.502 0.1 1 1072 98 103 ASP CB C 41.425 0.1 1 1073 98 103 ASP N N 125.376 0.1 1 1074 99 104 GLY H H 8.582 0.02 1 1075 99 104 GLY HA2 H 3.899 0.02 2 1076 99 104 GLY HA3 H 3.897 0.02 2 1077 99 104 GLY CA C 46.337 0.1 1 1078 99 104 GLY N N 106.612 0.1 1 1079 100 105 THR H H 8.414 0.02 1 1080 100 105 THR HA H 4.445 0.02 1 1081 100 105 THR HB H 4.297 0.02 1 1082 100 105 THR HG2 H 1.083 0.02 1 1083 100 105 THR CA C 61.645 0.1 1 1084 100 105 THR CB C 70.064 0.1 1 1085 100 105 THR CG2 C 21.546 0.1 1 1086 100 105 THR N N 111.391 0.1 1 1087 101 106 GLY H H 8.073 0.02 1 1088 101 106 GLY HA2 H 4.273 0.02 2 1089 101 106 GLY HA3 H 3.514 0.02 2 1090 101 106 GLY CA C 44.907 0.1 1 1091 101 106 GLY N N 109.867 0.1 1 1092 102 107 ARG H H 7.761 0.02 1 1093 102 107 ARG HA H 4.299 0.02 1 1094 102 107 ARG HB2 H 1.700 0.02 1 1095 102 107 ARG HB3 H 1.700 0.02 1 1096 102 107 ARG HG2 H 1.432 0.02 2 1097 102 107 ARG HG3 H 1.562 0.02 2 1098 102 107 ARG HD2 H 3.089 0.02 1 1099 102 107 ARG HD3 H 3.089 0.02 1 1100 102 107 ARG CA C 56.381 0.1 1 1101 102 107 ARG CB C 30.627 0.1 1 1102 102 107 ARG CG C 27.276 0.1 1 1103 102 107 ARG CD C 43.347 0.1 1 1104 102 107 ARG N N 122.285 0.1 1 1105 103 108 SER H H 8.408 0.02 1 1106 103 108 SER HA H 5.325 0.02 1 1107 103 108 SER HB2 H 3.529 0.02 2 1108 103 108 SER HB3 H 3.419 0.02 2 1109 103 108 SER CA C 57.504 0.1 1 1110 103 108 SER CB C 66.005 0.1 1 1111 103 108 SER N N 119.110 0.1 1 1112 104 109 ALA H H 8.379 0.02 1 1113 104 109 ALA HA H 4.351 0.02 1 1114 104 109 ALA HB H 1.133 0.02 1 1115 104 109 ALA CA C 51.253 0.1 1 1116 104 109 ALA CB C 21.910 0.1 1 1117 104 109 ALA N N 124.124 0.1 1 1118 105 110 PHE H H 8.437 0.02 1 1119 105 110 PHE HA H 5.437 0.02 1 1120 105 110 PHE HB2 H 2.735 0.02 2 1121 105 110 PHE HB3 H 2.607 0.02 2 1122 105 110 PHE HD1 H 7.168 0.02 1 1123 105 110 PHE HD2 H 7.168 0.02 1 1124 105 110 PHE HE1 H 7.353 0.02 1 1125 105 110 PHE HE2 H 7.353 0.02 1 1126 105 110 PHE HZ H 7.205 0.02 1 1127 105 110 PHE CA C 57.223 0.1 1 1128 105 110 PHE CB C 40.357 0.1 1 1129 105 110 PHE CD1 C 132.203 0.1 1 1130 105 110 PHE CD2 C 132.203 0.1 1 1131 105 110 PHE CE1 C 131.273 0.1 1 1132 105 110 PHE CE2 C 131.273 0.1 1 1133 105 110 PHE CZ C 129.126 0.1 1 1134 105 110 PHE N N 117.986 0.1 1 1135 106 111 ILE H H 8.845 0.02 1 1136 106 111 ILE HA H 4.550 0.02 1 1137 106 111 ILE HB H 1.739 0.02 1 1138 106 111 ILE HG12 H 1.325 0.02 2 1139 106 111 ILE HG13 H 0.822 0.02 2 1140 106 111 ILE HG2 H 0.690 0.02 1 1141 106 111 ILE HD1 H 0.556 0.02 1 1142 106 111 ILE CA C 59.445 0.1 1 1143 106 111 ILE CB C 42.178 0.1 1 1144 106 111 ILE CG1 C 25.658 0.1 1 1145 106 111 ILE CG2 C 17.646 0.1 1 1146 106 111 ILE CD1 C 14.498 0.1 1 1147 106 111 ILE N N 116.454 0.1 1 1148 107 112 GLY H H 8.654 0.02 1 1149 107 112 GLY HA2 H 5.064 0.02 2 1150 107 112 GLY HA3 H 2.604 0.02 2 1151 107 112 GLY CA C 44.851 0.1 1 1152 107 112 GLY N N 109.985 0.1 1 1153 108 113 ILE H H 9.666 0.02 1 1154 108 113 ILE HA H 5.984 0.02 1 1155 108 113 ILE HB H 1.448 0.02 1 1156 108 113 ILE HG12 H 1.425 0.02 2 1157 108 113 ILE HG13 H 0.928 0.02 2 1158 108 113 ILE HG2 H 0.738 0.02 1 1159 108 113 ILE HD1 H 0.250 0.02 1 1160 108 113 ILE CA C 58.710 0.1 1 1161 108 113 ILE CB C 42.261 0.1 1 1162 108 113 ILE CG1 C 26.638 0.1 1 1163 108 113 ILE CG2 C 17.805 0.1 1 1164 108 113 ILE CD1 C 13.816 0.1 1 1165 108 113 ILE N N 116.426 0.1 1 1166 109 114 GLY H H 8.849 0.02 1 1167 109 114 GLY HA2 H 4.901 0.02 2 1168 109 114 GLY HA3 H 3.711 0.02 2 1169 109 114 GLY CA C 46.506 0.1 1 1170 109 114 GLY N N 106.325 0.1 1 1171 110 115 PHE H H 7.792 0.02 1 1172 110 115 PHE HA H 4.917 0.02 1 1173 110 115 PHE HB2 H 3.446 0.02 2 1174 110 115 PHE HB3 H 2.550 0.02 2 1175 110 115 PHE HD1 H 7.355 0.02 1 1176 110 115 PHE HD2 H 7.355 0.02 1 1177 110 115 PHE HE1 H 6.614 0.02 1 1178 110 115 PHE HE2 H 6.614 0.02 1 1179 110 115 PHE HZ H 6.284 0.02 1 1180 110 115 PHE CA C 56.346 0.1 1 1181 110 115 PHE CB C 41.976 0.1 1 1182 110 115 PHE CD1 C 132.094 0.1 1 1183 110 115 PHE CD2 C 132.094 0.1 1 1184 110 115 PHE CE1 C 129.944 0.1 1 1185 110 115 PHE CE2 C 129.944 0.1 1 1186 110 115 PHE CZ C 128.806 0.1 1 1187 110 115 PHE N N 119.088 0.1 1 1188 111 116 THR H H 9.088 0.02 1 1189 111 116 THR HA H 3.846 0.02 1 1190 111 116 THR HB H 4.146 0.02 1 1191 111 116 THR HG2 H 1.228 0.02 1 1192 111 116 THR CA C 65.469 0.1 1 1193 111 116 THR CB C 69.051 0.1 1 1194 111 116 THR CG2 C 22.269 0.1 1 1195 111 116 THR N N 118.155 0.1 1 1196 112 117 ASP H H 8.481 0.02 1 1197 112 117 ASP HA H 4.792 0.02 1 1198 112 117 ASP HB2 H 2.813 0.02 2 1199 112 117 ASP HB3 H 2.585 0.02 2 1200 112 117 ASP CA C 52.991 0.1 1 1201 112 117 ASP CB C 43.984 0.1 1 1202 112 117 ASP N N 119.351 0.1 1 1203 113 118 ARG H H 8.976 0.02 1 1204 113 118 ARG HA H 3.735 0.02 1 1205 113 118 ARG HB2 H 1.800 0.02 2 1206 113 118 ARG HB3 H 1.710 0.02 2 1207 113 118 ARG HG2 H 1.560 0.02 2 1208 113 118 ARG HG3 H 1.559 0.02 2 1209 113 118 ARG HD2 H 3.121 0.02 1 1210 113 118 ARG HD3 H 3.121 0.02 1 1211 113 118 ARG CA C 59.419 0.1 1 1212 113 118 ARG CB C 29.760 0.1 1 1213 113 118 ARG CG C 26.912 0.1 1 1214 113 118 ARG CD C 43.322 0.1 1 1215 113 118 ARG N N 124.746 0.1 1 1216 114 119 GLY H H 8.926 0.02 1 1217 114 119 GLY HA2 H 3.831 0.02 1 1218 114 119 GLY HA3 H 3.831 0.02 1 1219 114 119 GLY CA C 47.036 0.1 1 1220 114 119 GLY N N 110.137 0.1 1 1221 115 120 ASP H H 7.583 0.02 1 1222 115 120 ASP HA H 4.135 0.02 1 1223 115 120 ASP HB2 H 2.880 0.02 2 1224 115 120 ASP HB3 H 2.290 0.02 2 1225 115 120 ASP CA C 57.595 0.1 1 1226 115 120 ASP CB C 40.710 0.1 1 1227 115 120 ASP N N 121.178 0.1 1 1228 116 121 ALA H H 6.771 0.02 1 1229 116 121 ALA HA H 3.235 0.02 1 1230 116 121 ALA HB H 1.673 0.02 1 1231 116 121 ALA CA C 54.594 0.1 1 1232 116 121 ALA CB C 19.782 0.1 1 1233 116 121 ALA N N 120.733 0.1 1 1234 117 122 PHE H H 8.109 0.02 1 1235 117 122 PHE HA H 4.285 0.02 1 1236 117 122 PHE HB2 H 3.337 0.02 2 1237 117 122 PHE HB3 H 3.166 0.02 2 1238 117 122 PHE HD1 H 7.320 0.02 1 1239 117 122 PHE HD2 H 7.320 0.02 1 1240 117 122 PHE HE1 H 7.328 0.02 1 1241 117 122 PHE HE2 H 7.328 0.02 1 1242 117 122 PHE CA C 61.301 0.1 1 1243 117 122 PHE CB C 38.686 0.1 1 1244 117 122 PHE CD1 C 132.017 0.1 1 1245 117 122 PHE CD2 C 132.017 0.1 1 1246 117 122 PHE CE1 C 131.176 0.1 1 1247 117 122 PHE CE2 C 131.176 0.1 1 1248 117 122 PHE N N 119.462 0.1 1 1249 118 123 ASP H H 8.086 0.02 1 1250 118 123 ASP HA H 4.231 0.02 1 1251 118 123 ASP HB2 H 2.637 0.02 1 1252 118 123 ASP HB3 H 2.637 0.02 1 1253 118 123 ASP CA C 57.111 0.1 1 1254 118 123 ASP CB C 41.089 0.1 1 1255 118 123 ASP N N 119.450 0.1 1 1256 119 124 PHE H H 7.705 0.02 1 1257 119 124 PHE HA H 3.910 0.02 1 1258 119 124 PHE HB2 H 2.963 0.02 2 1259 119 124 PHE HB3 H 2.510 0.02 2 1260 119 124 PHE HD1 H 6.595 0.02 1 1261 119 124 PHE HD2 H 6.595 0.02 1 1262 119 124 PHE HE1 H 6.317 0.02 1 1263 119 124 PHE HE2 H 6.317 0.02 1 1264 119 124 PHE HZ H 6.608 0.02 1 1265 119 124 PHE CA C 60.963 0.1 1 1266 119 124 PHE CB C 39.271 0.1 1 1267 119 124 PHE CD1 C 132.832 0.1 1 1268 119 124 PHE CD2 C 132.832 0.1 1 1269 119 124 PHE CE1 C 129.961 0.1 1 1270 119 124 PHE CE2 C 129.961 0.1 1 1271 119 124 PHE CZ C 132.551 0.1 1 1272 119 124 PHE N N 122.165 0.1 1 1273 120 125 ASN H H 7.630 0.02 1 1274 120 125 ASN HA H 3.822 0.02 1 1275 120 125 ASN HB2 H 2.824 0.02 1 1276 120 125 ASN HB3 H 2.824 0.02 1 1277 120 125 ASN HD21 H 7.412 0.02 2 1278 120 125 ASN HD22 H 6.829 0.02 2 1279 120 125 ASN CA C 56.708 0.1 1 1280 120 125 ASN CB C 39.719 0.1 1 1281 120 125 ASN N N 116.879 0.1 1 1282 120 125 ASN ND2 N 113.173 0.1 1 1283 121 126 VAL H H 8.564 0.02 1 1284 121 126 VAL HA H 3.422 0.02 1 1285 121 126 VAL HB H 1.735 0.02 1 1286 121 126 VAL HG1 H 0.739 0.02 2 1287 121 126 VAL HG2 H 0.600 0.02 2 1288 121 126 VAL CA C 66.242 0.1 1 1289 121 126 VAL CB C 31.348 0.1 1 1290 121 126 VAL CG1 C 21.299 0.1 2 1291 121 126 VAL CG2 C 23.028 0.1 2 1292 121 126 VAL N N 118.626 0.1 1 1293 122 127 SER H H 7.878 0.02 1 1294 122 127 SER HA H 3.664 0.02 1 1295 122 127 SER HB2 H 3.459 0.02 1 1296 122 127 SER HB3 H 3.459 0.02 1 1297 122 127 SER CA C 62.929 0.1 1 1298 122 127 SER CB C 63.064 0.1 1 1299 122 127 SER N N 115.673 0.1 1 1300 123 128 LEU H H 6.717 0.02 1 1301 123 128 LEU HA H 3.655 0.02 1 1302 123 128 LEU HB2 H 1.069 0.02 2 1303 123 128 LEU HB3 H 0.333 0.02 2 1304 123 128 LEU HG H 0.971 0.02 1 1305 123 128 LEU HD1 H -0.091 0.02 2 1306 123 128 LEU HD2 H 0.258 0.02 2 1307 123 128 LEU CA C 57.620 0.1 1 1308 123 128 LEU CB C 41.492 0.1 1 1309 123 128 LEU CG C 26.081 0.1 1 1310 123 128 LEU CD1 C 25.424 0.1 2 1311 123 128 LEU CD2 C 23.200 0.1 2 1312 123 128 LEU N N 120.793 0.1 1 1313 124 129 GLN H H 8.214 0.02 1 1314 124 129 GLN HA H 3.870 0.02 1 1315 124 129 GLN HB2 H 1.999 0.02 2 1316 124 129 GLN HB3 H 2.138 0.02 2 1317 124 129 GLN HG2 H 2.243 0.02 2 1318 124 129 GLN HG3 H 2.504 0.02 2 1319 124 129 GLN HE21 H 7.283 0.02 2 1320 124 129 GLN HE22 H 6.743 0.02 2 1321 124 129 GLN CA C 59.653 0.1 1 1322 124 129 GLN CB C 29.120 0.1 1 1323 124 129 GLN CG C 34.381 0.1 1 1324 124 129 GLN N N 118.473 0.1 1 1325 124 129 GLN NE2 N 110.582 0.1 1 1326 125 130 ASP H H 8.974 0.02 1 1327 125 130 ASP HA H 4.311 0.02 1 1328 125 130 ASP HB2 H 2.739 0.02 2 1329 125 130 ASP HB3 H 2.487 0.02 2 1330 125 130 ASP CA C 57.145 0.1 1 1331 125 130 ASP CB C 39.964 0.1 1 1332 125 130 ASP N N 118.806 0.1 1 1333 126 131 HIS H H 7.380 0.02 1 1334 126 131 HIS HA H 4.165 0.02 1 1335 126 131 HIS HB2 H 2.853 0.02 2 1336 126 131 HIS HB3 H 2.695 0.02 2 1337 126 131 HIS HE1 H 7.687 0.02 1 1338 126 131 HIS CA C 59.652 0.1 1 1339 126 131 HIS CB C 29.767 0.1 1 1340 126 131 HIS CE1 C 138.067 0.1 1 1341 126 131 HIS N N 118.556 0.1 1 1342 127 132 PHE H H 7.508 0.02 1 1343 127 132 PHE HA H 4.045 0.02 1 1344 127 132 PHE HB2 H 3.499 0.02 2 1345 127 132 PHE HB3 H 2.756 0.02 2 1346 127 132 PHE HD1 H 7.489 0.02 1 1347 127 132 PHE HD2 H 7.489 0.02 1 1348 127 132 PHE HE1 H 7.053 0.02 1 1349 127 132 PHE HE2 H 7.053 0.02 1 1350 127 132 PHE HZ H 7.269 0.02 1 1351 127 132 PHE CA C 60.823 0.1 1 1352 127 132 PHE CB C 38.719 0.1 1 1353 127 132 PHE CD1 C 133.016 0.1 1 1354 127 132 PHE CD2 C 133.016 0.1 1 1355 127 132 PHE CE1 C 131.102 0.1 1 1356 127 132 PHE CE2 C 131.102 0.1 1 1357 127 132 PHE CZ C 130.005 0.1 1 1358 127 132 PHE N N 113.318 0.1 1 1359 128 133 LYS H H 7.591 0.02 1 1360 128 133 LYS HA H 4.051 0.02 1 1361 128 133 LYS HB2 H 1.651 0.02 2 1362 128 133 LYS HB3 H 1.775 0.02 2 1363 128 133 LYS HG2 H 1.128 0.02 1 1364 128 133 LYS HG3 H 1.128 0.02 1 1365 128 133 LYS HD2 H 1.519 0.02 1 1366 128 133 LYS HD3 H 1.519 0.02 1 1367 128 133 LYS HE2 H 2.771 0.02 1 1368 128 133 LYS HE3 H 2.771 0.02 1 1369 128 133 LYS CA C 58.426 0.1 1 1370 128 133 LYS CB C 31.926 0.1 1 1371 128 133 LYS CG C 24.461 0.1 1 1372 128 133 LYS CD C 29.404 0.1 1 1373 128 133 LYS CE C 42.012 0.1 1 1374 128 133 LYS N N 120.701 0.1 1 1375 129 134 TRP H H 7.587 0.02 1 1376 129 134 TRP HA H 4.591 0.02 1 1377 129 134 TRP HB2 H 3.290 0.02 2 1378 129 134 TRP HB3 H 3.143 0.02 2 1379 129 134 TRP HD1 H 7.205 0.02 1 1380 129 134 TRP HE1 H 10.000 0.02 1 1381 129 134 TRP HE3 H 7.482 0.02 1 1382 129 134 TRP HZ2 H 7.383 0.02 1 1383 129 134 TRP HZ3 H 7.010 0.02 1 1384 129 134 TRP HH2 H 7.132 0.02 1 1385 129 134 TRP CA C 57.405 0.1 1 1386 129 134 TRP CB C 29.172 0.1 1 1387 129 134 TRP CD1 C 127.663 0.1 1 1388 129 134 TRP CE3 C 120.994 0.1 1 1389 129 134 TRP CZ2 C 114.452 0.1 1 1390 129 134 TRP CZ3 C 121.912 0.1 1 1391 129 134 TRP CH2 C 124.489 0.1 1 1392 129 134 TRP N N 118.926 0.1 1 1393 129 134 TRP NE1 N 129.167 0.1 1 1394 130 135 VAL H H 7.478 0.02 1 1395 130 135 VAL HA H 3.695 0.02 1 1396 130 135 VAL HB H 1.916 0.02 1 1397 130 135 VAL HG1 H 0.783 0.02 2 1398 130 135 VAL HG2 H 0.639 0.02 2 1399 130 135 VAL CA C 62.840 0.1 1 1400 130 135 VAL CB C 32.410 0.1 1 1401 130 135 VAL CG1 C 21.112 0.1 2 1402 130 135 VAL CG2 C 21.017 0.1 2 1403 130 135 VAL N N 120.881 0.1 1 1404 131 136 LYS H H 7.962 0.02 1 1405 131 136 LYS HA H 4.127 0.02 1 1406 131 136 LYS HB2 H 1.696 0.02 2 1407 131 136 LYS HB3 H 1.757 0.02 2 1408 131 136 LYS HG2 H 1.328 0.02 2 1409 131 136 LYS HG3 H 1.401 0.02 2 1410 131 136 LYS HD2 H 1.630 0.02 1 1411 131 136 LYS HD3 H 1.630 0.02 1 1412 131 136 LYS HE2 H 2.929 0.02 1 1413 131 136 LYS HE3 H 2.929 0.02 1 1414 131 136 LYS CA C 56.356 0.1 1 1415 131 136 LYS CB C 33.014 0.1 1 1416 131 136 LYS CG C 24.735 0.1 1 1417 131 136 LYS CD C 29.134 0.1 1 1418 131 136 LYS CE C 42.128 0.1 1 1419 131 136 LYS N N 123.985 0.1 1 1420 132 137 GLN H H 8.250 0.02 1 1421 132 137 GLN HA H 4.248 0.02 1 1422 132 137 GLN HB2 H 2.061 0.02 2 1423 132 137 GLN HB3 H 1.920 0.02 2 1424 132 137 GLN HG2 H 2.302 0.02 1 1425 132 137 GLN HG3 H 2.302 0.02 1 1426 132 137 GLN HE21 H 6.850 0.02 2 1427 132 137 GLN HE22 H 7.534 0.02 2 1428 132 137 GLN CA C 55.875 0.1 1 1429 132 137 GLN CB C 29.426 0.1 1 1430 132 137 GLN CG C 33.825 0.1 1 1431 132 137 GLN N N 122.735 0.1 1 1432 132 137 GLN NE2 N 112.768 0.1 1 1433 133 138 GLU H H 7.943 0.02 1 1434 133 138 GLU HA H 4.060 0.02 1 1435 133 138 GLU HB2 H 1.974 0.02 2 1436 133 138 GLU HB3 H 1.800 0.02 2 1437 133 138 GLU HG2 H 2.102 0.02 1 1438 133 138 GLU HG3 H 2.102 0.02 1 1439 133 138 GLU CA C 57.937 0.1 1 1440 133 138 GLU CB C 31.151 0.1 1 1441 133 138 GLU CG C 36.568 0.1 1 1442 133 138 GLU N N 127.455 0.1 1 stop_ save_