data_17534 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignment of the autoimmunity protein SpaI from Bacillus subtilis ATCC 6633 ; _BMRB_accession_number 17534 _BMRB_flat_file_name bmr17534.str _Entry_type original _Submission_date 2011-03-18 _Accession_date 2011-03-18 _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 Christ 'Nina Alexandra' A. . 2 Duchardt-Ferner Elke . . 3 Duesterhus Stefanie . . 4 Koetter Peter . . 5 Entian Karl-Dieter . . 6 Woehnert Jens . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 783 "13C chemical shifts" 564 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-10 original author . stop_ _Original_release_date 2012-05-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR resonance assignment of the autoimmunity protein SpaI from Bacillus subtilis ATCC 6633.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21643970 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Christ 'Nina Alexandra' . . 2 Duchardt-Ferner Elke . . 3 Dusterhus Stefanie . . 4 Kotter Peter . . 5 Entian Karl-Dieter . . 6 Wohnert Jens . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9 _Page_last 13 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SpaI monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SpaI monomer' $SpaI stop_ _System_molecular_weight 15000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SpaI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SpaI _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSTMHFTDDNENDTSETMES LIDKGKLDQVVYDDQLYHLK EKVDEDKKGKVIGAIGQTFF VDGDGKRWSEEELKEPYISN NPDEIREKKPLRYGKVYSTN EDSDAKDEIIVEFNREYYRA VLIKNEKE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 THR 4 MET 5 HIS 6 PHE 7 THR 8 ASP 9 ASP 10 ASN 11 GLU 12 ASN 13 ASP 14 THR 15 SER 16 GLU 17 THR 18 MET 19 GLU 20 SER 21 LEU 22 ILE 23 ASP 24 LYS 25 GLY 26 LYS 27 LEU 28 ASP 29 GLN 30 VAL 31 VAL 32 TYR 33 ASP 34 ASP 35 GLN 36 LEU 37 TYR 38 HIS 39 LEU 40 LYS 41 GLU 42 LYS 43 VAL 44 ASP 45 GLU 46 ASP 47 LYS 48 LYS 49 GLY 50 LYS 51 VAL 52 ILE 53 GLY 54 ALA 55 ILE 56 GLY 57 GLN 58 THR 59 PHE 60 PHE 61 VAL 62 ASP 63 GLY 64 ASP 65 GLY 66 LYS 67 ARG 68 TRP 69 SER 70 GLU 71 GLU 72 GLU 73 LEU 74 LYS 75 GLU 76 PRO 77 TYR 78 ILE 79 SER 80 ASN 81 ASN 82 PRO 83 ASP 84 GLU 85 ILE 86 ARG 87 GLU 88 LYS 89 LYS 90 PRO 91 LEU 92 ARG 93 TYR 94 GLY 95 LYS 96 VAL 97 TYR 98 SER 99 THR 100 ASN 101 GLU 102 ASP 103 SER 104 ASP 105 ALA 106 LYS 107 ASP 108 GLU 109 ILE 110 ILE 111 VAL 112 GLU 113 PHE 114 ASN 115 ARG 116 GLU 117 TYR 118 TYR 119 ARG 120 ALA 121 VAL 122 LEU 123 ILE 124 LYS 125 ASN 126 GLU 127 LYS 128 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-24 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LVL "Nmr Structure The Lantibiotic Immunity Protein Spai" 100.00 128 100.00 100.00 9.99e-86 GB AAB91598 "SpaI [Bacillus subtilis subsp. spizizenii ATCC 6633]" 98.44 165 100.00 100.00 1.41e-84 GB ADM39343 "hypothetical protein BSUW23_16540 [Bacillus subtilis subsp. spizizenii str. W23]" 98.44 164 100.00 100.00 1.87e-84 GB AJD37803 "SpaI protein [Bacillus subtilis subsp. spizizenii]" 98.44 164 100.00 100.00 1.87e-84 GB AJW87462 "SpaI protein [Bacillus subtilis]" 98.44 164 100.00 100.00 1.87e-84 GB EFG93306 "hypothetical protein BSU6633_04999 [Bacillus subtilis subsp. spizizenii ATCC 6633]" 98.44 164 100.00 100.00 1.87e-84 REF WP_003220043 "hypothetical protein [Bacillus subtilis]" 98.44 164 100.00 100.00 1.87e-84 REF WP_041905979 "SpaI protein [Bacillus sp. BSC154]" 98.44 164 98.41 99.21 7.06e-83 REF WP_044445585 "SpaI protein [Bacillus subtilis]" 98.44 163 99.21 99.21 2.17e-83 REF WP_045385074 "SpaI protein [Bacillus subtilis]" 98.44 164 99.21 99.21 7.88e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SpaI 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $SpaI 'recombinant technology' . Escherichia coli . pPK571 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'sodium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' DSS 10 uM . . 'natural abundance' $SpaI . uM 300 400 [U-15N] H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_2H15N13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DSS 10 uM 'natural abundance' $SpaI 420 uM '[U-13C; U-15N; U-2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'sodium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' DSS 10 uM . . 'natural abundance' $SpaI . uM 300 400 '[U-13C; U-15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_15N13C_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DSS 10 uM 'natural abundance' $SpaI 300 uM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $15N13C_D2O save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $15N13C save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N13C save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $2H15N13C save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $2H15N13C save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $2H15N13C save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N13C save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $15N13C save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N13C save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N13C_D2O save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $15N13C_D2O save_ save_3D_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $15N13C save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $15N13C_D2O save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $15N13C save_ save_3D_HNCACO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $2H15N13C 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' 100 . mM pH 6.4 . pH pressure 1 . atm temperature 296 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D HNHA' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HNCACO' stop_ loop_ _Sample_label $15N $15N13C_D2O $15N13C $2H15N13C stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'SpaI monomer' _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 2 2 SER HA H 4.587 0.050 1 2 2 2 SER HB2 H 3.901 0.050 1 3 2 2 SER HB3 H 3.901 0.050 1 4 2 2 SER C C 174.822 0.200 1 5 2 2 SER CA C 58.305 0.200 1 6 2 2 SER CB C 63.996 0.200 1 7 3 3 THR H H 8.367 0.050 1 8 3 3 THR HA H 4.296 0.050 1 9 3 3 THR HB H 4.190 0.050 1 10 3 3 THR HG2 H 1.154 0.050 1 11 3 3 THR C C 174.381 0.200 1 12 3 3 THR CA C 61.627 0.200 1 13 3 3 THR CB C 69.700 0.200 1 14 3 3 THR CG2 C 21.587 0.200 1 15 3 3 THR N N 116.560 0.300 1 16 4 4 MET H H 8.364 0.050 1 17 4 4 MET HA H 4.372 0.050 1 18 4 4 MET HB2 H 1.877 0.050 1 19 4 4 MET HB3 H 1.877 0.050 1 20 4 4 MET HG2 H 2.460 0.050 2 21 4 4 MET HG3 H 2.413 0.050 2 22 4 4 MET C C 175.449 0.200 1 23 4 4 MET CA C 55.461 0.200 1 24 4 4 MET CB C 32.976 0.200 1 25 4 4 MET CG C 31.958 0.200 1 26 4 4 MET N N 122.663 0.300 1 27 5 5 HIS H H 8.344 0.050 1 28 5 5 HIS HA H 4.648 0.050 1 29 5 5 HIS HB2 H 3.130 0.050 2 30 5 5 HIS HB3 H 3.040 0.050 2 31 5 5 HIS HD2 H 7.129 0.050 1 32 5 5 HIS C C 174.161 0.200 1 33 5 5 HIS CA C 55.318 0.200 1 34 5 5 HIS CB C 29.832 0.200 1 35 5 5 HIS CD2 C 119.887 0.200 1 36 5 5 HIS N N 120.166 0.300 1 37 6 6 PHE H H 8.389 0.050 1 38 6 6 PHE HA H 4.695 0.050 1 39 6 6 PHE HB2 H 3.167 0.050 2 40 6 6 PHE HB3 H 2.997 0.050 2 41 6 6 PHE HD1 H 7.254 0.050 3 42 6 6 PHE HD2 H 7.254 0.050 3 43 6 6 PHE C C 175.751 0.200 1 44 6 6 PHE CA C 57.862 0.200 1 45 6 6 PHE CB C 39.701 0.200 1 46 6 6 PHE CD1 C 132.057 0.200 3 47 6 6 PHE CD2 C 132.057 0.200 3 48 6 6 PHE N N 122.458 0.300 1 49 7 7 THR H H 8.154 0.050 1 50 7 7 THR HA H 4.330 0.050 1 51 7 7 THR HB H 4.194 0.050 1 52 7 7 THR HG2 H 1.158 0.050 1 53 7 7 THR C C 173.946 0.200 1 54 7 7 THR CA C 61.614 0.200 1 55 7 7 THR CB C 69.871 0.200 1 56 7 7 THR CG2 C 21.586 0.200 1 57 7 7 THR N N 115.320 0.300 1 58 8 8 ASP H H 8.324 0.050 1 59 8 8 ASP HA H 4.578 0.050 1 60 8 8 ASP HB2 H 2.730 0.050 2 61 8 8 ASP HB3 H 2.618 0.050 2 62 8 8 ASP C C 175.922 0.200 1 63 8 8 ASP CA C 54.457 0.200 1 64 8 8 ASP CB C 41.155 0.200 1 65 8 8 ASP N N 122.453 0.300 1 66 9 9 ASP H H 8.296 0.050 1 67 9 9 ASP HA H 4.555 0.050 1 68 9 9 ASP HB2 H 2.726 0.050 2 69 9 9 ASP HB3 H 2.612 0.050 2 70 9 9 ASP C C 176.053 0.200 1 71 9 9 ASP CA C 54.648 0.200 1 72 9 9 ASP CB C 41.230 0.200 1 73 9 9 ASP N N 120.750 0.300 1 74 10 10 ASN H H 8.402 0.050 1 75 10 10 ASN HA H 4.665 0.050 1 76 10 10 ASN HB2 H 2.820 0.050 2 77 10 10 ASN HB3 H 2.735 0.050 2 78 10 10 ASN HD21 H 6.947 0.050 1 79 10 10 ASN HD22 H 7.655 0.050 1 80 10 10 ASN C C 175.451 0.200 1 81 10 10 ASN CA C 53.528 0.200 1 82 10 10 ASN CB C 39.219 0.200 1 83 10 10 ASN N N 118.729 0.300 1 84 10 10 ASN ND2 N 113.789 0.300 1 85 11 11 GLU H H 8.378 0.050 1 86 11 11 GLU HA H 4.217 0.050 1 87 11 11 GLU HB2 H 2.047 0.050 2 88 11 11 GLU HB3 H 1.938 0.050 2 89 11 11 GLU HG2 H 2.192 0.050 1 90 11 11 GLU HG3 H 2.192 0.050 1 91 11 11 GLU C C 176.267 0.200 1 92 11 11 GLU CA C 57.053 0.200 1 93 11 11 GLU CB C 30.057 0.200 1 94 11 11 GLU CG C 36.272 0.200 1 95 11 11 GLU N N 121.015 0.300 1 96 12 12 ASN H H 8.397 0.050 1 97 12 12 ASN HA H 4.736 0.050 1 98 12 12 ASN HB2 H 2.816 0.050 2 99 12 12 ASN HB3 H 2.690 0.050 2 100 12 12 ASN HD21 H 6.901 0.050 1 101 12 12 ASN HD22 H 7.658 0.050 1 102 12 12 ASN C C 174.764 0.200 1 103 12 12 ASN CA C 53.226 0.200 1 104 12 12 ASN CB C 39.309 0.200 1 105 12 12 ASN N N 118.846 0.300 1 106 12 12 ASN ND2 N 113.411 0.300 1 107 13 13 ASP H H 8.261 0.050 1 108 13 13 ASP HA H 4.684 0.050 1 109 13 13 ASP HB2 H 2.728 0.050 2 110 13 13 ASP HB3 H 2.613 0.050 2 111 13 13 ASP C C 176.310 0.200 1 112 13 13 ASP CA C 54.277 0.200 1 113 13 13 ASP CB C 41.323 0.200 1 114 13 13 ASP N N 121.304 0.300 1 115 14 14 THR H H 8.171 0.050 1 116 14 14 THR HA H 4.418 0.050 1 117 14 14 THR HB H 4.197 0.050 1 118 14 14 THR HG2 H 1.099 0.050 1 119 14 14 THR C C 174.332 0.200 1 120 14 14 THR CA C 61.299 0.200 1 121 14 14 THR CB C 69.706 0.200 1 122 14 14 THR CG2 C 21.026 0.200 1 123 14 14 THR N N 114.723 0.300 1 124 15 15 SER H H 8.352 0.050 1 125 15 15 SER HA H 4.484 0.050 1 126 15 15 SER HB2 H 3.847 0.050 1 127 15 15 SER HB3 H 3.847 0.050 1 128 15 15 SER C C 174.420 0.200 1 129 15 15 SER CA C 58.324 0.200 1 130 15 15 SER CB C 64.010 0.200 1 131 15 15 SER N N 119.759 0.300 1 132 16 16 GLU H H 8.385 0.050 1 133 16 16 GLU HA H 4.452 0.050 1 134 16 16 GLU HB2 H 1.892 0.050 2 135 16 16 GLU HB3 H 1.563 0.050 2 136 16 16 GLU HG2 H 2.197 0.050 1 137 16 16 GLU HG3 H 2.197 0.050 1 138 16 16 GLU C C 175.408 0.200 1 139 16 16 GLU CA C 55.777 0.200 1 140 16 16 GLU CB C 30.581 0.200 1 141 16 16 GLU CG C 34.870 0.200 1 142 16 16 GLU N N 122.850 0.300 1 143 17 17 THR H H 8.710 0.050 1 144 17 17 THR HA H 4.532 0.050 1 145 17 17 THR HB H 4.637 0.050 1 146 17 17 THR HG2 H 1.221 0.050 1 147 17 17 THR C C 174.626 0.200 1 148 17 17 THR CA C 59.222 0.200 1 149 17 17 THR CB C 72.785 0.200 1 150 17 17 THR CG2 C 21.967 0.200 1 151 17 17 THR N N 111.537 0.300 1 152 18 18 MET H H 8.976 0.050 1 153 18 18 MET HA H 4.284 0.050 1 154 18 18 MET HB2 H 2.009 0.050 2 155 18 18 MET HB3 H 1.664 0.050 2 156 18 18 MET HG2 H 2.576 0.050 2 157 18 18 MET HG3 H 2.353 0.050 2 158 18 18 MET C C 177.814 0.200 1 159 18 18 MET CA C 56.487 0.200 1 160 18 18 MET CB C 29.653 0.200 1 161 18 18 MET CG C 31.129 0.200 1 162 18 18 MET N N 118.640 0.300 1 163 19 19 GLU H H 8.876 0.050 1 164 19 19 GLU HA H 3.157 0.050 1 165 19 19 GLU HB2 H 2.015 0.050 2 166 19 19 GLU HB3 H 1.782 0.050 2 167 19 19 GLU HG2 H 2.389 0.050 2 168 19 19 GLU HG3 H 2.176 0.050 2 169 19 19 GLU C C 177.256 0.200 1 170 19 19 GLU CA C 61.266 0.200 1 171 19 19 GLU CB C 29.520 0.200 1 172 19 19 GLU CG C 37.945 0.200 1 173 19 19 GLU N N 116.332 0.300 1 174 20 20 SER H H 7.835 0.050 1 175 20 20 SER HA H 4.131 0.050 1 176 20 20 SER HB2 H 3.993 0.050 2 177 20 20 SER HB3 H 3.871 0.050 2 178 20 20 SER C C 177.832 0.200 1 179 20 20 SER CA C 61.593 0.200 1 180 20 20 SER CB C 62.703 0.200 1 181 20 20 SER N N 114.730 0.300 1 182 21 21 LEU H H 8.089 0.050 1 183 21 21 LEU HA H 3.826 0.050 1 184 21 21 LEU HB2 H 1.905 0.050 2 185 21 21 LEU HB3 H 1.349 0.050 2 186 21 21 LEU HG H 1.782 0.050 1 187 21 21 LEU HD1 H 0.625 0.050 1 188 21 21 LEU HD2 H 0.680 0.050 1 189 21 21 LEU C C 179.661 0.200 1 190 21 21 LEU CA C 58.308 0.200 1 191 21 21 LEU CB C 41.234 0.200 1 192 21 21 LEU CG C 26.193 0.200 1 193 21 21 LEU CD1 C 26.012 0.200 1 194 21 21 LEU CD2 C 22.761 0.200 1 195 21 21 LEU N N 124.029 0.300 1 196 22 22 ILE H H 7.987 0.050 1 197 22 22 ILE HA H 3.352 0.050 1 198 22 22 ILE HB H 1.483 0.050 1 199 22 22 ILE HG12 H 1.290 0.050 2 200 22 22 ILE HG13 H 0.815 0.050 2 201 22 22 ILE HG2 H 0.664 0.050 1 202 22 22 ILE HD1 H 0.220 0.050 1 203 22 22 ILE C C 180.736 0.200 1 204 22 22 ILE CA C 64.923 0.200 1 205 22 22 ILE CB C 37.189 0.200 1 206 22 22 ILE CG1 C 28.747 0.200 1 207 22 22 ILE CG2 C 17.574 0.200 1 208 22 22 ILE CD1 C 13.538 0.200 1 209 22 22 ILE N N 120.311 0.300 1 210 23 23 ASP H H 8.599 0.050 1 211 23 23 ASP HA H 4.416 0.050 1 212 23 23 ASP HB2 H 2.816 0.050 2 213 23 23 ASP HB3 H 2.685 0.050 2 214 23 23 ASP C C 178.544 0.200 1 215 23 23 ASP CA C 57.383 0.200 1 216 23 23 ASP CB C 39.401 0.200 1 217 23 23 ASP N N 123.007 0.300 1 218 24 24 LYS H H 7.696 0.050 1 219 24 24 LYS HA H 4.333 0.050 1 220 24 24 LYS HB2 H 1.983 0.050 2 221 24 24 LYS HB3 H 1.755 0.050 2 222 24 24 LYS HG2 H 1.462 0.050 1 223 24 24 LYS HG3 H 1.462 0.050 1 224 24 24 LYS HD2 H 1.696 0.050 2 225 24 24 LYS HD3 H 1.661 0.050 2 226 24 24 LYS HE2 H 2.908 0.050 1 227 24 24 LYS HE3 H 2.908 0.050 1 228 24 24 LYS C C 176.610 0.200 1 229 24 24 LYS CA C 56.596 0.200 1 230 24 24 LYS CB C 33.552 0.200 1 231 24 24 LYS CG C 25.978 0.200 1 232 24 24 LYS CD C 29.518 0.200 1 233 24 24 LYS CE C 41.977 0.200 1 234 24 24 LYS N N 117.684 0.300 1 235 25 25 GLY H H 8.178 0.050 1 236 25 25 GLY HA2 H 3.724 0.050 2 237 25 25 GLY HA3 H 4.137 0.050 2 238 25 25 GLY C C 175.278 0.200 1 239 25 25 GLY CA C 45.898 0.200 1 240 25 25 GLY N N 109.511 0.300 1 241 26 26 LYS H H 8.360 0.050 1 242 26 26 LYS HA H 4.571 0.050 1 243 26 26 LYS HB2 H 1.562 0.050 1 244 26 26 LYS HB3 H 1.562 0.050 1 245 26 26 LYS HG2 H 1.247 0.050 1 246 26 26 LYS HG3 H 1.247 0.050 1 247 26 26 LYS HD2 H 1.569 0.050 1 248 26 26 LYS HD3 H 1.569 0.050 1 249 26 26 LYS HE2 H 2.854 0.050 1 250 26 26 LYS HE3 H 2.854 0.050 1 251 26 26 LYS C C 175.365 0.200 1 252 26 26 LYS CA C 53.790 0.200 1 253 26 26 LYS CB C 29.278 0.200 1 254 26 26 LYS CG C 24.340 0.200 1 255 26 26 LYS CD C 29.075 0.200 1 256 26 26 LYS CE C 41.991 0.200 1 257 26 26 LYS N N 124.022 0.300 1 258 27 27 LEU H H 7.384 0.050 1 259 27 27 LEU HA H 4.182 0.050 1 260 27 27 LEU HB2 H 1.621 0.050 1 261 27 27 LEU HB3 H 1.621 0.050 1 262 27 27 LEU HG H 1.565 0.050 1 263 27 27 LEU HD1 H 0.859 0.050 1 264 27 27 LEU HD2 H 0.973 0.050 1 265 27 27 LEU C C 177.685 0.200 1 266 27 27 LEU CA C 55.811 0.200 1 267 27 27 LEU CB C 40.598 0.200 1 268 27 27 LEU CG C 28.193 0.200 1 269 27 27 LEU CD1 C 23.801 0.200 1 270 27 27 LEU CD2 C 25.347 0.200 1 271 27 27 LEU N N 117.052 0.300 1 272 28 28 ASP H H 8.636 0.050 1 273 28 28 ASP HA H 4.446 0.050 1 274 28 28 ASP HB2 H 3.158 0.050 2 275 28 28 ASP HB3 H 2.560 0.050 2 276 28 28 ASP C C 174.118 0.200 1 277 28 28 ASP CA C 52.442 0.200 1 278 28 28 ASP CB C 39.597 0.200 1 279 28 28 ASP N N 117.807 0.300 1 280 29 29 GLN H H 7.493 0.050 1 281 29 29 GLN HA H 5.401 0.050 1 282 29 29 GLN HB2 H 1.804 0.050 1 283 29 29 GLN HB3 H 1.804 0.050 1 284 29 29 GLN HG2 H 1.873 0.050 2 285 29 29 GLN HG3 H 1.994 0.050 2 286 29 29 GLN HE21 H 6.200 0.050 1 287 29 29 GLN HE22 H 6.990 0.050 1 288 29 29 GLN C C 174.161 0.200 1 289 29 29 GLN CA C 54.290 0.200 1 290 29 29 GLN CB C 32.803 0.200 1 291 29 29 GLN CG C 33.950 0.200 1 292 29 29 GLN N N 119.366 0.300 1 293 29 29 GLN NE2 N 106.404 0.300 1 294 30 30 VAL H H 8.394 0.050 1 295 30 30 VAL HA H 4.267 0.050 1 296 30 30 VAL HB H 1.887 0.050 1 297 30 30 VAL HG1 H 0.537 0.050 1 298 30 30 VAL HG2 H 0.677 0.050 1 299 30 30 VAL C C 173.215 0.200 1 300 30 30 VAL CA C 59.037 0.200 1 301 30 30 VAL CB C 36.288 0.200 1 302 30 30 VAL CG1 C 19.200 0.200 1 303 30 30 VAL CG2 C 22.782 0.200 1 304 30 30 VAL N N 108.580 0.300 1 305 31 31 VAL H H 6.807 0.050 1 306 31 31 VAL HA H 5.137 0.050 1 307 31 31 VAL HB H 1.585 0.050 1 308 31 31 VAL HG1 H 0.647 0.050 1 309 31 31 VAL HG2 H 0.751 0.050 1 310 31 31 VAL C C 174.719 0.200 1 311 31 31 VAL CA C 59.930 0.200 1 312 31 31 VAL CB C 33.833 0.200 1 313 31 31 VAL CG1 C 21.026 0.200 1 314 31 31 VAL CG2 C 20.485 0.200 1 315 31 31 VAL N N 120.659 0.300 1 316 32 32 TYR H H 9.063 0.050 1 317 32 32 TYR HA H 4.624 0.050 1 318 32 32 TYR HB2 H 2.471 0.050 1 319 32 32 TYR HB3 H 2.471 0.050 1 320 32 32 TYR HD1 H 6.807 0.050 3 321 32 32 TYR HD2 H 6.807 0.050 3 322 32 32 TYR HE1 H 6.592 0.050 3 323 32 32 TYR HE2 H 6.592 0.050 3 324 32 32 TYR C C 174.807 0.200 1 325 32 32 TYR CA C 57.582 0.200 1 326 32 32 TYR CB C 40.315 0.200 1 327 32 32 TYR CD1 C 132.953 0.200 3 328 32 32 TYR CD2 C 132.953 0.200 3 329 32 32 TYR CE1 C 118.325 0.200 3 330 32 32 TYR CE2 C 118.325 0.200 3 331 32 32 TYR N N 125.430 0.300 1 332 33 33 ASP H H 8.620 0.050 1 333 33 33 ASP HA H 3.894 0.050 1 334 33 33 ASP HB2 H 2.734 0.050 2 335 33 33 ASP HB3 H 1.477 0.050 2 336 33 33 ASP C C 174.676 0.200 1 337 33 33 ASP CA C 54.747 0.200 1 338 33 33 ASP CB C 39.018 0.200 1 339 33 33 ASP N N 132.180 0.300 1 340 34 34 ASP H H 8.376 0.050 1 341 34 34 ASP HA H 4.007 0.050 1 342 34 34 ASP HB2 H 2.934 0.050 2 343 34 34 ASP HB3 H 2.820 0.050 2 344 34 34 ASP C C 174.290 0.200 1 345 34 34 ASP CA C 56.215 0.200 1 346 34 34 ASP CB C 39.941 0.200 1 347 34 34 ASP N N 108.307 0.300 1 348 35 35 GLN H H 7.807 0.050 1 349 35 35 GLN HA H 4.633 0.050 1 350 35 35 GLN HB2 H 2.006 0.050 2 351 35 35 GLN HB3 H 1.884 0.050 2 352 35 35 GLN HG2 H 2.430 0.050 2 353 35 35 GLN HG3 H 2.225 0.050 2 354 35 35 GLN HE21 H 6.828 0.050 1 355 35 35 GLN HE22 H 7.537 0.050 1 356 35 35 GLN C C 173.130 0.200 1 357 35 35 GLN CA C 54.325 0.200 1 358 35 35 GLN CB C 32.442 0.200 1 359 35 35 GLN CG C 34.429 0.200 1 360 35 35 GLN N N 117.416 0.300 1 361 35 35 GLN NE2 N 112.263 0.300 1 362 36 36 LEU H H 8.277 0.050 1 363 36 36 LEU HA H 4.938 0.050 1 364 36 36 LEU HB2 H 1.530 0.050 2 365 36 36 LEU HB3 H 1.441 0.050 2 366 36 36 LEU HG H 1.472 0.050 1 367 36 36 LEU HD1 H 0.788 0.050 1 368 36 36 LEU HD2 H 0.878 0.050 1 369 36 36 LEU C C 175.667 0.200 1 370 36 36 LEU CA C 54.313 0.200 1 371 36 36 LEU CB C 44.538 0.200 1 372 36 36 LEU CG C 27.309 0.200 1 373 36 36 LEU CD1 C 25.651 0.200 1 374 36 36 LEU CD2 C 25.068 0.200 1 375 36 36 LEU N N 122.240 0.300 1 376 37 37 TYR H H 9.173 0.050 1 377 37 37 TYR HA H 5.098 0.050 1 378 37 37 TYR HB2 H 2.548 0.050 1 379 37 37 TYR HB3 H 2.548 0.050 1 380 37 37 TYR HD1 H 6.779 0.050 3 381 37 37 TYR HD2 H 6.779 0.050 3 382 37 37 TYR C C 174.805 0.200 1 383 37 37 TYR CA C 56.643 0.200 1 384 37 37 TYR CB C 42.749 0.200 1 385 37 37 TYR N N 121.192 0.300 1 386 38 38 HIS H H 9.437 0.050 1 387 38 38 HIS HA H 5.198 0.050 1 388 38 38 HIS HB2 H 3.225 0.050 2 389 38 38 HIS HB3 H 2.946 0.050 2 390 38 38 HIS HD2 H 7.350 0.050 1 391 38 38 HIS C C 175.450 0.200 1 392 38 38 HIS CA C 53.376 0.200 1 393 38 38 HIS CB C 32.291 0.200 1 394 38 38 HIS CD2 C 119.339 0.200 1 395 38 38 HIS N N 119.805 0.300 1 396 39 39 LEU H H 9.030 0.050 1 397 39 39 LEU HA H 4.194 0.050 1 398 39 39 LEU HB2 H 1.541 0.050 2 399 39 39 LEU HB3 H 1.092 0.050 2 400 39 39 LEU HG H 1.217 0.050 1 401 39 39 LEU HD1 H 0.275 0.050 1 402 39 39 LEU HD2 H 0.381 0.050 1 403 39 39 LEU C C 175.750 0.200 1 404 39 39 LEU CA C 56.237 0.200 1 405 39 39 LEU CB C 41.402 0.200 1 406 39 39 LEU CG C 27.469 0.200 1 407 39 39 LEU CD1 C 23.430 0.200 1 408 39 39 LEU CD2 C 24.960 0.200 1 409 39 39 LEU N N 127.165 0.300 1 410 40 40 LYS H H 9.247 0.050 1 411 40 40 LYS HA H 4.354 0.050 1 412 40 40 LYS HB2 H 1.956 0.050 2 413 40 40 LYS HB3 H 1.629 0.050 2 414 40 40 LYS HG2 H 1.449 0.050 1 415 40 40 LYS HG3 H 1.449 0.050 1 416 40 40 LYS HD2 H 1.564 0.050 1 417 40 40 LYS HD3 H 1.564 0.050 1 418 40 40 LYS HE2 H 2.961 0.050 2 419 40 40 LYS HE3 H 2.855 0.050 2 420 40 40 LYS C C 175.493 0.200 1 421 40 40 LYS CA C 54.647 0.200 1 422 40 40 LYS CB C 32.051 0.200 1 423 40 40 LYS CG C 24.360 0.200 1 424 40 40 LYS CD C 28.019 0.200 1 425 40 40 LYS CE C 41.795 0.200 1 426 40 40 LYS N N 125.938 0.300 1 427 41 41 GLU H H 8.503 0.050 1 428 41 41 GLU HA H 4.548 0.050 1 429 41 41 GLU HB2 H 2.191 0.050 2 430 41 41 GLU HB3 H 2.070 0.050 2 431 41 41 GLU HG2 H 2.209 0.050 2 432 41 41 GLU HG3 H 2.280 0.050 2 433 41 41 GLU C C 174.461 0.200 1 434 41 41 GLU CA C 55.750 0.200 1 435 41 41 GLU CB C 30.388 0.200 1 436 41 41 GLU CG C 35.136 0.200 1 437 41 41 GLU N N 118.437 0.300 1 438 42 42 LYS H H 8.318 0.050 1 439 42 42 LYS HA H 4.451 0.050 1 440 42 42 LYS HB2 H 1.541 0.050 2 441 42 42 LYS HB3 H 1.453 0.050 2 442 42 42 LYS HG2 H 0.784 0.050 2 443 42 42 LYS HG3 H 1.049 0.050 2 444 42 42 LYS HD2 H 1.478 0.050 1 445 42 42 LYS HD3 H 1.478 0.050 1 446 42 42 LYS HE2 H 2.858 0.050 1 447 42 42 LYS HE3 H 2.858 0.050 1 448 42 42 LYS C C 177.298 0.200 1 449 42 42 LYS CA C 56.315 0.200 1 450 42 42 LYS CB C 33.265 0.200 1 451 42 42 LYS CG C 25.346 0.200 1 452 42 42 LYS CD C 29.510 0.200 1 453 42 42 LYS CE C 41.990 0.200 1 454 42 42 LYS N N 122.218 0.300 1 455 43 43 VAL H H 8.724 0.050 1 456 43 43 VAL HA H 4.571 0.050 1 457 43 43 VAL HB H 1.984 0.050 1 458 43 43 VAL HG1 H 0.564 0.050 1 459 43 43 VAL HG2 H 0.842 0.050 1 460 43 43 VAL C C 174.440 0.200 1 461 43 43 VAL CA C 58.725 0.200 1 462 43 43 VAL CB C 35.371 0.200 1 463 43 43 VAL CG1 C 19.202 0.200 1 464 43 43 VAL CG2 C 21.956 0.200 1 465 43 43 VAL N N 118.735 0.300 1 466 44 44 ASP H H 8.060 0.050 1 467 44 44 ASP HA H 4.556 0.050 1 468 44 44 ASP HB2 H 2.783 0.050 2 469 44 44 ASP HB3 H 2.475 0.050 2 470 44 44 ASP C C 177.124 0.200 1 471 44 44 ASP CA C 53.942 0.200 1 472 44 44 ASP CB C 42.120 0.200 1 473 44 44 ASP N N 121.083 0.300 1 474 45 45 GLU H H 8.643 0.050 1 475 45 45 GLU HA H 3.216 0.050 1 476 45 45 GLU HB2 H 1.944 0.050 1 477 45 45 GLU HB3 H 1.944 0.050 1 478 45 45 GLU HG2 H 2.068 0.050 2 479 45 45 GLU HG3 H 1.965 0.050 2 480 45 45 GLU C C 176.697 0.200 1 481 45 45 GLU CA C 59.049 0.200 1 482 45 45 GLU CB C 29.693 0.200 1 483 45 45 GLU CG C 35.719 0.200 1 484 45 45 GLU N N 120.102 0.300 1 485 46 46 ASP H H 8.277 0.050 1 486 46 46 ASP HA H 4.359 0.050 1 487 46 46 ASP HB2 H 2.700 0.050 2 488 46 46 ASP HB3 H 2.561 0.050 2 489 46 46 ASP C C 176.954 0.200 1 490 46 46 ASP CA C 54.632 0.200 1 491 46 46 ASP CB C 39.767 0.200 1 492 46 46 ASP N N 115.291 0.300 1 493 47 47 LYS H H 7.692 0.050 1 494 47 47 LYS HA H 4.270 0.050 1 495 47 47 LYS HB2 H 1.849 0.050 2 496 47 47 LYS HB3 H 1.716 0.050 2 497 47 47 LYS HG2 H 1.369 0.050 2 498 47 47 LYS HG3 H 1.458 0.050 2 499 47 47 LYS HD2 H 1.560 0.050 1 500 47 47 LYS HD3 H 1.560 0.050 1 501 47 47 LYS HE2 H 2.977 0.050 1 502 47 47 LYS HE3 H 2.977 0.050 1 503 47 47 LYS C C 176.009 0.200 1 504 47 47 LYS CA C 54.752 0.200 1 505 47 47 LYS CB C 31.577 0.200 1 506 47 47 LYS CG C 24.689 0.200 1 507 47 47 LYS CD C 28.110 0.200 1 508 47 47 LYS CE C 42.182 0.200 1 509 47 47 LYS N N 118.975 0.300 1 510 48 48 LYS H H 6.978 0.050 1 511 48 48 LYS HA H 3.952 0.050 1 512 48 48 LYS HB2 H 1.190 0.050 2 513 48 48 LYS HB3 H 0.900 0.050 2 514 48 48 LYS HG2 H 0.680 0.050 1 515 48 48 LYS HG3 H 0.680 0.050 1 516 48 48 LYS HD2 H -0.285 0.050 2 517 48 48 LYS HD3 H 0.241 0.050 2 518 48 48 LYS HE2 H 2.160 0.050 1 519 48 48 LYS HE3 H 2.160 0.050 1 520 48 48 LYS C C 174.848 0.200 1 521 48 48 LYS CA C 55.866 0.200 1 522 48 48 LYS CB C 33.654 0.200 1 523 48 48 LYS CG C 22.690 0.200 1 524 48 48 LYS CD C 28.840 0.200 1 525 48 48 LYS CE C 41.445 0.200 1 526 48 48 LYS N N 116.606 0.300 1 527 49 49 GLY H H 7.800 0.050 1 528 49 49 GLY HA2 H 4.122 0.050 2 529 49 49 GLY HA3 H 3.365 0.050 2 530 49 49 GLY C C 173.258 0.200 1 531 49 49 GLY CA C 43.952 0.200 1 532 49 49 GLY N N 109.875 0.300 1 533 50 50 LYS H H 7.867 0.050 1 534 50 50 LYS HA H 4.451 0.050 1 535 50 50 LYS HB2 H 1.822 0.050 1 536 50 50 LYS HB3 H 1.822 0.050 1 537 50 50 LYS HG2 H 1.373 0.050 2 538 50 50 LYS HG3 H 1.501 0.050 2 539 50 50 LYS HD2 H 1.663 0.050 1 540 50 50 LYS HD3 H 1.663 0.050 1 541 50 50 LYS HE2 H 2.977 0.050 1 542 50 50 LYS HE3 H 2.977 0.050 1 543 50 50 LYS C C 176.180 0.200 1 544 50 50 LYS CA C 55.378 0.200 1 545 50 50 LYS CB C 33.995 0.200 1 546 50 50 LYS CG C 24.340 0.200 1 547 50 50 LYS CD C 29.336 0.200 1 548 50 50 LYS CE C 42.188 0.200 1 549 50 50 LYS N N 122.060 0.300 1 550 51 51 VAL H H 8.560 0.050 1 551 51 51 VAL HA H 3.696 0.050 1 552 51 51 VAL HB H 1.960 0.050 1 553 51 51 VAL HG1 H 0.853 0.050 1 554 51 51 VAL HG2 H 0.911 0.050 1 555 51 51 VAL C C 176.696 0.200 1 556 51 51 VAL CA C 63.631 0.200 1 557 51 51 VAL CB C 32.178 0.200 1 558 51 51 VAL CG1 C 23.262 0.200 1 559 51 51 VAL CG2 C 20.875 0.200 1 560 51 51 VAL N N 122.532 0.300 1 561 52 52 ILE H H 8.992 0.050 1 562 52 52 ILE HA H 4.688 0.050 1 563 52 52 ILE HB H 2.060 0.050 1 564 52 52 ILE HG12 H 0.954 0.050 1 565 52 52 ILE HG13 H 0.954 0.050 1 566 52 52 ILE HG2 H 0.963 0.050 1 567 52 52 ILE HD1 H 0.726 0.050 1 568 52 52 ILE C C 175.622 0.200 1 569 52 52 ILE CA C 61.240 0.200 1 570 52 52 ILE CB C 40.049 0.200 1 571 52 52 ILE CG1 C 25.813 0.200 1 572 52 52 ILE CG2 C 18.115 0.200 1 573 52 52 ILE CD1 C 13.557 0.200 1 574 52 52 ILE N N 121.088 0.300 1 575 53 53 GLY H H 7.673 0.050 1 576 53 53 GLY HA2 H 3.973 0.050 2 577 53 53 GLY HA3 H 4.565 0.050 2 578 53 53 GLY CA C 45.840 0.200 1 579 53 53 GLY N N 109.977 0.300 1 580 54 54 ALA H H 9.013 0.050 1 581 54 54 ALA HA H 4.672 0.050 1 582 54 54 ALA HB H 1.360 0.050 1 583 54 54 ALA C C 176.094 0.200 1 584 54 54 ALA CA C 52.829 0.200 1 585 54 54 ALA CB C 21.542 0.200 1 586 54 54 ALA N N 121.763 0.300 1 587 55 55 ILE H H 8.473 0.050 1 588 55 55 ILE HA H 4.290 0.050 1 589 55 55 ILE HB H 1.805 0.050 1 590 55 55 ILE HG12 H 1.663 0.050 2 591 55 55 ILE HG13 H 1.361 0.050 2 592 55 55 ILE HG2 H 1.038 0.050 1 593 55 55 ILE HD1 H 0.841 0.050 1 594 55 55 ILE C C 177.858 0.200 1 595 55 55 ILE CA C 64.244 0.200 1 596 55 55 ILE CB C 38.847 0.200 1 597 55 55 ILE CG1 C 28.216 0.200 1 598 55 55 ILE CG2 C 17.921 0.200 1 599 55 55 ILE CD1 C 13.545 0.200 1 600 55 55 ILE N N 121.528 0.300 1 601 56 56 GLY H H 7.701 0.050 1 602 56 56 GLY HA2 H 4.148 0.050 2 603 56 56 GLY HA3 H 3.723 0.050 2 604 56 56 GLY C C 174.805 0.200 1 605 56 56 GLY CA C 48.388 0.200 1 606 56 56 GLY N N 106.647 0.300 1 607 57 57 GLN H H 7.937 0.050 1 608 57 57 GLN HA H 4.725 0.050 1 609 57 57 GLN HB2 H 1.592 0.050 1 610 57 57 GLN HB3 H 1.592 0.050 1 611 57 57 GLN HG2 H 2.321 0.050 2 612 57 57 GLN HG3 H 2.272 0.050 2 613 57 57 GLN HE21 H 7.047 0.050 1 614 57 57 GLN HE22 H 7.308 0.050 1 615 57 57 GLN C C 173.947 0.200 1 616 57 57 GLN CA C 55.099 0.200 1 617 57 57 GLN CB C 35.678 0.200 1 618 57 57 GLN CG C 34.627 0.200 1 619 57 57 GLN N N 116.187 0.300 1 620 57 57 GLN NE2 N 111.523 0.300 1 621 58 58 THR H H 8.346 0.050 1 622 58 58 THR HA H 5.172 0.050 1 623 58 58 THR HB H 3.707 0.050 1 624 58 58 THR HG2 H 0.631 0.050 1 625 58 58 THR C C 172.571 0.200 1 626 58 58 THR CA C 61.417 0.200 1 627 58 58 THR CB C 71.141 0.200 1 628 58 58 THR CG2 C 22.290 0.200 1 629 58 58 THR N N 119.112 0.300 1 630 59 59 PHE H H 8.820 0.050 1 631 59 59 PHE HA H 4.784 0.050 1 632 59 59 PHE HB2 H 3.196 0.050 2 633 59 59 PHE HB3 H 2.774 0.050 2 634 59 59 PHE HD1 H 7.420 0.050 3 635 59 59 PHE HD2 H 7.420 0.050 3 636 59 59 PHE HE1 H 7.194 0.050 3 637 59 59 PHE HE2 H 7.194 0.050 3 638 59 59 PHE C C 172.355 0.200 1 639 59 59 PHE CA C 55.553 0.200 1 640 59 59 PHE CB C 43.933 0.200 1 641 59 59 PHE CD1 C 132.301 0.200 3 642 59 59 PHE CD2 C 132.301 0.200 3 643 59 59 PHE CE1 C 130.930 0.200 3 644 59 59 PHE CE2 C 130.930 0.200 3 645 59 59 PHE N N 125.434 0.300 1 646 60 60 PHE H H 9.617 0.050 1 647 60 60 PHE HA H 5.495 0.050 1 648 60 60 PHE HB2 H 2.503 0.050 2 649 60 60 PHE HB3 H 2.249 0.050 2 650 60 60 PHE HD1 H 6.771 0.050 3 651 60 60 PHE HD2 H 6.771 0.050 3 652 60 60 PHE HE1 H 7.126 0.050 3 653 60 60 PHE HE2 H 7.126 0.050 3 654 60 60 PHE C C 175.964 0.200 1 655 60 60 PHE CA C 56.496 0.200 1 656 60 60 PHE CB C 42.355 0.200 1 657 60 60 PHE CD1 C 132.125 0.200 3 658 60 60 PHE CD2 C 132.125 0.200 3 659 60 60 PHE CE1 C 130.750 0.200 3 660 60 60 PHE CE2 C 130.750 0.200 3 661 60 60 PHE N N 117.699 0.300 1 662 61 61 VAL H H 9.140 0.050 1 663 61 61 VAL HA H 5.703 0.050 1 664 61 61 VAL HB H 1.960 0.050 1 665 61 61 VAL HG1 H 0.839 0.050 1 666 61 61 VAL HG2 H 0.984 0.050 1 667 61 61 VAL C C 175.193 0.200 1 668 61 61 VAL CA C 58.437 0.200 1 669 61 61 VAL CB C 36.516 0.200 1 670 61 61 VAL CG1 C 21.836 0.200 1 671 61 61 VAL CG2 C 18.616 0.200 1 672 61 61 VAL N N 114.768 0.300 1 673 62 62 ASP H H 8.378 0.050 1 674 62 62 ASP HA H 5.475 0.050 1 675 62 62 ASP HB2 H 3.506 0.050 2 676 62 62 ASP HB3 H 2.828 0.050 2 677 62 62 ASP C C 179.341 0.200 1 678 62 62 ASP CA C 51.512 0.200 1 679 62 62 ASP CB C 43.403 0.200 1 680 62 62 ASP N N 120.954 0.300 1 681 63 63 GLY H H 9.059 0.050 1 682 63 63 GLY HA2 H 3.908 0.050 2 683 63 63 GLY HA3 H 3.989 0.050 2 684 63 63 GLY C C 174.763 0.200 1 685 63 63 GLY CA C 46.548 0.200 1 686 63 63 GLY N N 106.547 0.300 1 687 64 64 ASP H H 8.462 0.050 1 688 64 64 ASP HA H 4.947 0.050 1 689 64 64 ASP HB2 H 2.902 0.050 2 690 64 64 ASP HB3 H 2.670 0.050 2 691 64 64 ASP C C 176.417 0.200 1 692 64 64 ASP CA C 53.907 0.200 1 693 64 64 ASP CB C 41.988 0.200 1 694 64 64 ASP N N 119.209 0.300 1 695 65 65 GLY H H 8.126 0.050 1 696 65 65 GLY HA2 H 3.504 0.050 2 697 65 65 GLY HA3 H 4.235 0.050 2 698 65 65 GLY C C 173.559 0.200 1 699 65 65 GLY CA C 45.317 0.200 1 700 65 65 GLY N N 108.724 0.300 1 701 66 66 LYS H H 8.432 0.050 1 702 66 66 LYS HA H 4.283 0.050 1 703 66 66 LYS HB2 H 1.896 0.050 1 704 66 66 LYS HB3 H 1.896 0.050 1 705 66 66 LYS HG2 H 1.381 0.050 1 706 66 66 LYS HG3 H 1.381 0.050 1 707 66 66 LYS HD2 H 1.657 0.050 1 708 66 66 LYS HD3 H 1.657 0.050 1 709 66 66 LYS HE2 H 2.977 0.050 1 710 66 66 LYS HE3 H 2.977 0.050 1 711 66 66 LYS C C 176.481 0.200 1 712 66 66 LYS CA C 55.631 0.200 1 713 66 66 LYS CB C 32.410 0.200 1 714 66 66 LYS CG C 24.830 0.200 1 715 66 66 LYS CD C 29.031 0.200 1 716 66 66 LYS CE C 42.184 0.200 1 717 66 66 LYS N N 122.757 0.300 1 718 67 67 ARG H H 8.989 0.050 1 719 67 67 ARG HA H 4.965 0.050 1 720 67 67 ARG HB2 H 1.998 0.050 2 721 67 67 ARG HB3 H 1.998 0.050 2 722 67 67 ARG HG2 H 1.804 0.050 1 723 67 67 ARG HG3 H 1.804 0.050 1 724 67 67 ARG HD2 H 3.664 0.050 2 725 67 67 ARG HD3 H 2.774 0.050 2 726 67 67 ARG HE H 8.818 0.050 1 727 67 67 ARG C C 178.072 0.200 1 728 67 67 ARG CA C 56.394 0.200 1 729 67 67 ARG CB C 32.242 0.200 1 730 67 67 ARG CG C 28.472 0.200 1 731 67 67 ARG CD C 43.649 0.200 1 732 67 67 ARG N N 125.874 0.300 1 733 67 67 ARG NE N 111.365 0.300 1 734 68 68 TRP H H 9.356 0.050 1 735 68 68 TRP HA H 4.497 0.050 1 736 68 68 TRP HB2 H 3.269 0.050 1 737 68 68 TRP HB3 H 3.269 0.050 1 738 68 68 TRP HD1 H 6.919 0.050 1 739 68 68 TRP HE1 H 10.434 0.050 1 740 68 68 TRP HE3 H 6.824 0.050 1 741 68 68 TRP HZ2 H 7.132 0.050 1 742 68 68 TRP HZ3 H 7.242 0.050 1 743 68 68 TRP HH2 H 7.034 0.050 1 744 68 68 TRP C C 176.524 0.200 1 745 68 68 TRP CA C 58.270 0.200 1 746 68 68 TRP CB C 29.091 0.200 1 747 68 68 TRP CD1 C 124.589 0.200 1 748 68 68 TRP CE3 C 118.260 0.200 1 749 68 68 TRP CZ2 C 114.515 0.200 1 750 68 68 TRP CZ3 C 120.190 0.200 1 751 68 68 TRP CH2 C 121.753 0.200 1 752 68 68 TRP N N 129.312 0.300 1 753 68 68 TRP NE1 N 129.259 0.300 1 754 69 69 SER H H 9.254 0.050 1 755 69 69 SER HA H 4.731 0.050 1 756 69 69 SER HB2 H 4.492 0.050 2 757 69 69 SER HB3 H 4.048 0.050 2 758 69 69 SER C C 174.678 0.200 1 759 69 69 SER CA C 56.814 0.200 1 760 69 69 SER CB C 65.713 0.200 1 761 69 69 SER N N 122.127 0.300 1 762 70 70 GLU H H 9.127 0.050 1 763 70 70 GLU HA H 4.095 0.050 1 764 70 70 GLU HB2 H 2.110 0.050 1 765 70 70 GLU HB3 H 2.110 0.050 1 766 70 70 GLU HG2 H 2.476 0.050 1 767 70 70 GLU HG3 H 2.476 0.050 1 768 70 70 GLU C C 179.531 0.200 1 769 70 70 GLU CA C 59.979 0.200 1 770 70 70 GLU CB C 29.434 0.200 1 771 70 70 GLU CG C 36.560 0.200 1 772 70 70 GLU N N 120.891 0.300 1 773 71 71 GLU H H 8.644 0.050 1 774 71 71 GLU HA H 4.031 0.050 1 775 71 71 GLU HB2 H 2.019 0.050 1 776 71 71 GLU HB3 H 2.019 0.050 1 777 71 71 GLU HG2 H 2.405 0.050 1 778 71 71 GLU HG3 H 2.405 0.050 1 779 71 71 GLU C C 179.705 0.200 1 780 71 71 GLU CA C 59.859 0.200 1 781 71 71 GLU CB C 29.382 0.200 1 782 71 71 GLU CG C 36.615 0.200 1 783 71 71 GLU N N 117.648 0.300 1 784 72 72 GLU H H 7.906 0.050 1 785 72 72 GLU HA H 4.116 0.050 1 786 72 72 GLU HB2 H 2.023 0.050 1 787 72 72 GLU HB3 H 2.023 0.050 1 788 72 72 GLU HG2 H 2.193 0.050 1 789 72 72 GLU HG3 H 2.193 0.050 1 790 72 72 GLU C C 179.705 0.200 1 791 72 72 GLU CA C 58.481 0.200 1 792 72 72 GLU CB C 29.554 0.200 1 793 72 72 GLU CG C 36.712 0.200 1 794 72 72 GLU N N 120.187 0.300 1 795 73 73 LEU H H 8.109 0.050 1 796 73 73 LEU HA H 4.143 0.050 1 797 73 73 LEU HB2 H 1.951 0.050 2 798 73 73 LEU HB3 H 1.414 0.050 2 799 73 73 LEU HG H 2.031 0.050 1 800 73 73 LEU HD1 H 0.216 0.050 1 801 73 73 LEU HD2 H 0.951 0.050 1 802 73 73 LEU C C 178.157 0.200 1 803 73 73 LEU CA C 56.414 0.200 1 804 73 73 LEU CB C 42.363 0.200 1 805 73 73 LEU CG C 26.917 0.200 1 806 73 73 LEU CD1 C 22.969 0.200 1 807 73 73 LEU CD2 C 25.879 0.200 1 808 73 73 LEU N N 118.027 0.300 1 809 74 74 LYS H H 7.414 0.050 1 810 74 74 LYS HA H 4.199 0.050 1 811 74 74 LYS HB2 H 1.914 0.050 1 812 74 74 LYS HB3 H 1.914 0.050 1 813 74 74 LYS HG2 H 1.649 0.050 2 814 74 74 LYS HG3 H 1.497 0.050 2 815 74 74 LYS HD2 H 1.662 0.050 1 816 74 74 LYS HD3 H 1.662 0.050 1 817 74 74 LYS HE2 H 2.973 0.050 1 818 74 74 LYS HE3 H 2.973 0.050 1 819 74 74 LYS C C 176.739 0.200 1 820 74 74 LYS CA C 57.220 0.200 1 821 74 74 LYS CB C 33.286 0.200 1 822 74 74 LYS CG C 25.074 0.200 1 823 74 74 LYS CD C 29.123 0.200 1 824 74 74 LYS CE C 42.157 0.200 1 825 74 74 LYS N N 117.599 0.300 1 826 75 75 GLU H H 7.409 0.050 1 827 75 75 GLU HA H 4.608 0.050 1 828 75 75 GLU HB2 H 2.011 0.050 1 829 75 75 GLU HB3 H 2.011 0.050 1 830 75 75 GLU HG2 H 2.403 0.050 2 831 75 75 GLU HG3 H 2.335 0.050 2 832 75 75 GLU CA C 54.336 0.200 1 833 75 75 GLU CB C 29.881 0.200 1 834 75 75 GLU CG C 35.784 0.200 1 835 75 75 GLU N N 120.023 0.300 1 836 76 76 PRO HA H 4.412 0.050 1 837 76 76 PRO HB2 H 2.260 0.050 2 838 76 76 PRO HB3 H 1.824 0.050 2 839 76 76 PRO HG2 H 2.005 0.050 1 840 76 76 PRO HG3 H 2.005 0.050 1 841 76 76 PRO HD2 H 3.817 0.050 2 842 76 76 PRO HD3 H 3.691 0.050 2 843 76 76 PRO C C 176.672 0.200 1 844 76 76 PRO CA C 63.476 0.200 1 845 76 76 PRO CB C 31.945 0.200 1 846 76 76 PRO CG C 27.195 0.200 1 847 76 76 PRO CD C 50.640 0.200 1 848 77 77 TYR H H 8.436 0.050 1 849 77 77 TYR HA H 4.632 0.050 1 850 77 77 TYR HB2 H 3.065 0.050 2 851 77 77 TYR HB3 H 2.988 0.050 2 852 77 77 TYR HD1 H 7.174 0.050 3 853 77 77 TYR HD2 H 7.174 0.050 3 854 77 77 TYR HE1 H 6.887 0.050 3 855 77 77 TYR HE2 H 6.887 0.050 3 856 77 77 TYR C C 175.279 0.200 1 857 77 77 TYR CA C 58.027 0.200 1 858 77 77 TYR CB C 38.790 0.200 1 859 77 77 TYR CD1 C 133.262 0.200 3 860 77 77 TYR CD2 C 133.262 0.200 3 861 77 77 TYR CE1 C 118.371 0.200 3 862 77 77 TYR CE2 C 118.371 0.200 3 863 77 77 TYR N N 122.948 0.300 1 864 78 78 ILE H H 8.034 0.050 1 865 78 78 ILE HA H 4.115 0.050 1 866 78 78 ILE HB H 1.759 0.050 1 867 78 78 ILE HG12 H 1.396 0.050 2 868 78 78 ILE HG13 H 1.108 0.050 2 869 78 78 ILE HG2 H 0.828 0.050 1 870 78 78 ILE HD1 H 0.809 0.050 1 871 78 78 ILE C C 175.360 0.200 1 872 78 78 ILE CA C 60.395 0.200 1 873 78 78 ILE CB C 39.072 0.200 1 874 78 78 ILE CG1 C 26.965 0.200 1 875 78 78 ILE CG2 C 17.439 0.200 1 876 78 78 ILE CD1 C 12.694 0.200 1 877 78 78 ILE N N 125.952 0.300 1 878 79 79 SER H H 8.213 0.050 1 879 79 79 SER HA H 4.345 0.050 1 880 79 79 SER HB2 H 3.895 0.050 2 881 79 79 SER HB3 H 3.722 0.050 2 882 79 79 SER C C 174.376 0.200 1 883 79 79 SER CA C 57.722 0.200 1 884 79 79 SER CB C 63.939 0.200 1 885 79 79 SER N N 119.408 0.300 1 886 80 80 ASN H H 8.476 0.050 1 887 80 80 ASN HA H 4.638 0.050 1 888 80 80 ASN HB2 H 2.779 0.050 1 889 80 80 ASN HB3 H 2.779 0.050 1 890 80 80 ASN HD21 H 6.902 0.050 1 891 80 80 ASN HD22 H 7.542 0.050 1 892 80 80 ASN C C 174.590 0.200 1 893 80 80 ASN CA C 53.567 0.200 1 894 80 80 ASN CB C 38.717 0.200 1 895 80 80 ASN N N 120.848 0.300 1 896 80 80 ASN ND2 N 113.064 0.300 1 897 81 81 ASN H H 8.199 0.050 1 898 81 81 ASN HA H 5.009 0.050 1 899 81 81 ASN HB2 H 2.922 0.050 2 900 81 81 ASN HB3 H 2.690 0.050 2 901 81 81 ASN HD21 H 7.095 0.050 1 902 81 81 ASN HD22 H 7.652 0.050 1 903 81 81 ASN CA C 50.659 0.200 1 904 81 81 ASN CB C 39.105 0.200 1 905 81 81 ASN N N 118.794 0.300 1 906 81 81 ASN ND2 N 113.066 0.300 1 907 82 82 PRO HA H 4.308 0.050 1 908 82 82 PRO HB2 H 2.300 0.050 2 909 82 82 PRO HB3 H 1.997 0.050 2 910 82 82 PRO HG2 H 2.002 0.050 1 911 82 82 PRO HG3 H 2.002 0.050 1 912 82 82 PRO HD2 H 3.826 0.050 1 913 82 82 PRO HD3 H 3.826 0.050 1 914 82 82 PRO C C 177.102 0.200 1 915 82 82 PRO CA C 64.363 0.200 1 916 82 82 PRO CB C 32.057 0.200 1 917 82 82 PRO CG C 27.140 0.200 1 918 82 82 PRO CD C 50.920 0.200 1 919 83 83 ASP H H 8.109 0.050 1 920 83 83 ASP HA H 4.576 0.050 1 921 83 83 ASP HB2 H 2.768 0.050 2 922 83 83 ASP HB3 H 2.606 0.050 2 923 83 83 ASP C C 176.138 0.200 1 924 83 83 ASP CA C 54.837 0.200 1 925 83 83 ASP CB C 41.050 0.200 1 926 83 83 ASP N N 116.763 0.300 1 927 84 84 GLU H H 7.767 0.050 1 928 84 84 GLU HA H 4.403 0.050 1 929 84 84 GLU HB2 H 2.130 0.050 2 930 84 84 GLU HB3 H 1.887 0.050 2 931 84 84 GLU HG2 H 2.181 0.050 1 932 84 84 GLU HG3 H 2.181 0.050 1 933 84 84 GLU C C 175.536 0.200 1 934 84 84 GLU CA C 55.699 0.200 1 935 84 84 GLU CB C 30.677 0.200 1 936 84 84 GLU CG C 36.270 0.200 1 937 84 84 GLU N N 119.806 0.300 1 938 85 85 ILE H H 7.898 0.050 1 939 85 85 ILE HA H 4.175 0.050 1 940 85 85 ILE HB H 1.842 0.050 1 941 85 85 ILE HG12 H 1.494 0.050 2 942 85 85 ILE HG13 H 1.162 0.050 2 943 85 85 ILE HG2 H 0.876 0.050 1 944 85 85 ILE HD1 H 0.827 0.050 1 945 85 85 ILE C C 175.579 0.200 1 946 85 85 ILE CA C 61.089 0.200 1 947 85 85 ILE CB C 39.297 0.200 1 948 85 85 ILE CG1 C 27.492 0.200 1 949 85 85 ILE CG2 C 17.419 0.200 1 950 85 85 ILE CD1 C 13.168 0.200 1 951 85 85 ILE N N 122.573 0.300 1 952 86 86 ARG H H 8.458 0.050 1 953 86 86 ARG HA H 4.478 0.050 1 954 86 86 ARG HB2 H 1.881 0.050 2 955 86 86 ARG HB3 H 1.716 0.050 2 956 86 86 ARG HG2 H 1.561 0.050 2 957 86 86 ARG HG3 H 1.468 0.050 2 958 86 86 ARG HD2 H 2.828 0.050 1 959 86 86 ARG HD3 H 2.828 0.050 1 960 86 86 ARG HE H 8.163 0.050 1 961 86 86 ARG C C 175.815 0.200 1 962 86 86 ARG CA C 56.292 0.200 1 963 86 86 ARG CB C 31.760 0.200 1 964 86 86 ARG CG C 27.996 0.200 1 965 86 86 ARG CD C 43.434 0.200 1 966 86 86 ARG N N 128.912 0.300 1 967 86 86 ARG NE N 114.011 0.300 1 968 87 87 GLU H H 9.000 0.050 1 969 87 87 GLU HA H 4.223 0.050 1 970 87 87 GLU HB2 H 2.095 0.050 2 971 87 87 GLU HB3 H 1.987 0.050 2 972 87 87 GLU HG2 H 2.421 0.050 2 973 87 87 GLU HG3 H 2.317 0.050 2 974 87 87 GLU C C 175.019 0.200 1 975 87 87 GLU CA C 57.528 0.200 1 976 87 87 GLU CB C 31.651 0.200 1 977 87 87 GLU CG C 37.062 0.200 1 978 87 87 GLU N N 128.150 0.300 1 979 88 88 LYS H H 8.737 0.050 1 980 88 88 LYS HA H 4.243 0.050 1 981 88 88 LYS HB2 H 1.265 0.050 2 982 88 88 LYS HB3 H 1.094 0.050 2 983 88 88 LYS HG2 H 0.042 0.050 2 984 88 88 LYS HG3 H -0.252 0.050 2 985 88 88 LYS HD2 H 0.387 0.050 2 986 88 88 LYS HD3 H 0.241 0.050 2 987 88 88 LYS HE2 H 1.359 0.050 2 988 88 88 LYS HE3 H 1.128 0.050 2 989 88 88 LYS C C 174.376 0.200 1 990 88 88 LYS CA C 55.780 0.200 1 991 88 88 LYS CB C 33.895 0.200 1 992 88 88 LYS CG C 24.741 0.200 1 993 88 88 LYS CD C 28.773 0.200 1 994 88 88 LYS CE C 40.610 0.200 1 995 88 88 LYS N N 124.830 0.300 1 996 89 89 LYS H H 9.521 0.050 1 997 89 89 LYS HA H 4.922 0.050 1 998 89 89 LYS HB2 H 1.895 0.050 1 999 89 89 LYS HB3 H 1.895 0.050 1 1000 89 89 LYS HG2 H 1.375 0.050 2 1001 89 89 LYS HG3 H 1.469 0.050 2 1002 89 89 LYS HD2 H 1.650 0.050 2 1003 89 89 LYS HD3 H 1.574 0.050 2 1004 89 89 LYS HE2 H 2.978 0.050 2 1005 89 89 LYS HE3 H 2.862 0.050 2 1006 89 89 LYS CA C 53.609 0.200 1 1007 89 89 LYS CB C 32.238 0.200 1 1008 89 89 LYS CG C 24.681 0.200 1 1009 89 89 LYS CD C 29.100 0.200 1 1010 89 89 LYS CE C 42.149 0.200 1 1011 89 89 LYS N N 128.015 0.300 1 1012 90 90 PRO HA H 4.374 0.050 1 1013 90 90 PRO HB2 H 1.917 0.050 2 1014 90 90 PRO HB3 H 1.604 0.050 2 1015 90 90 PRO HG2 H 2.126 0.050 1 1016 90 90 PRO HG3 H 2.126 0.050 1 1017 90 90 PRO HD2 H 4.096 0.050 2 1018 90 90 PRO HD3 H 3.823 0.050 2 1019 90 90 PRO C C 176.608 0.200 1 1020 90 90 PRO CA C 62.572 0.200 1 1021 90 90 PRO CB C 32.672 0.200 1 1022 90 90 PRO CG C 27.230 0.200 1 1023 90 90 PRO CD C 51.100 0.200 1 1024 91 91 LEU H H 8.932 0.050 1 1025 91 91 LEU HA H 4.363 0.050 1 1026 91 91 LEU HB2 H 2.052 0.050 2 1027 91 91 LEU HB3 H 1.585 0.050 2 1028 91 91 LEU HG H 1.665 0.050 1 1029 91 91 LEU HD1 H 1.029 0.050 1 1030 91 91 LEU HD2 H 1.039 0.050 1 1031 91 91 LEU C C 173.774 0.200 1 1032 91 91 LEU CA C 54.248 0.200 1 1033 91 91 LEU CB C 43.146 0.200 1 1034 91 91 LEU CG C 26.364 0.200 1 1035 91 91 LEU CD1 C 28.183 0.200 1 1036 91 91 LEU CD2 C 23.954 0.200 1 1037 91 91 LEU N N 123.690 0.300 1 1038 92 92 ARG H H 8.185 0.050 1 1039 92 92 ARG HA H 4.713 0.050 1 1040 92 92 ARG HB2 H 1.603 0.050 1 1041 92 92 ARG HB3 H 1.603 0.050 1 1042 92 92 ARG HG2 H 1.434 0.050 1 1043 92 92 ARG HG3 H 1.434 0.050 1 1044 92 92 ARG HD2 H 3.077 0.050 2 1045 92 92 ARG HD3 H 2.997 0.050 2 1046 92 92 ARG C C 175.213 0.200 1 1047 92 92 ARG CA C 55.134 0.200 1 1048 92 92 ARG CB C 31.030 0.200 1 1049 92 92 ARG CG C 27.680 0.200 1 1050 92 92 ARG CD C 43.446 0.200 1 1051 92 92 ARG N N 122.320 0.300 1 1052 93 93 TYR H H 9.064 0.050 1 1053 93 93 TYR HA H 5.092 0.050 1 1054 93 93 TYR HB2 H 3.296 0.050 2 1055 93 93 TYR HB3 H 2.875 0.050 2 1056 93 93 TYR HD1 H 6.984 0.050 3 1057 93 93 TYR HD2 H 6.984 0.050 3 1058 93 93 TYR HE1 H 6.400 0.050 3 1059 93 93 TYR HE2 H 6.400 0.050 3 1060 93 93 TYR C C 177.083 0.200 1 1061 93 93 TYR CA C 57.974 0.200 1 1062 93 93 TYR CB C 40.086 0.200 1 1063 93 93 TYR CD1 C 132.302 0.200 3 1064 93 93 TYR CD2 C 132.302 0.200 3 1065 93 93 TYR CE1 C 119.542 0.200 3 1066 93 93 TYR CE2 C 119.542 0.200 3 1067 93 93 TYR N N 127.147 0.300 1 1068 94 94 GLY H H 9.275 0.050 1 1069 94 94 GLY HA2 H 3.773 0.050 2 1070 94 94 GLY HA3 H 4.716 0.050 2 1071 94 94 GLY C C 173.946 0.200 1 1072 94 94 GLY CA C 45.163 0.200 1 1073 94 94 GLY N N 115.960 0.300 1 1074 95 95 LYS H H 8.947 0.050 1 1075 95 95 LYS HA H 4.304 0.050 1 1076 95 95 LYS HB2 H 1.902 0.050 2 1077 95 95 LYS HB3 H 1.575 0.050 2 1078 95 95 LYS HG2 H 1.713 0.050 2 1079 95 95 LYS HG3 H 1.475 0.050 2 1080 95 95 LYS HD2 H 1.707 0.050 1 1081 95 95 LYS HD3 H 1.707 0.050 1 1082 95 95 LYS HE2 H 3.065 0.050 1 1083 95 95 LYS HE3 H 3.065 0.050 1 1084 95 95 LYS C C 172.442 0.200 1 1085 95 95 LYS CA C 57.330 0.200 1 1086 95 95 LYS CB C 35.049 0.200 1 1087 95 95 LYS CG C 26.613 0.200 1 1088 95 95 LYS CD C 29.326 0.200 1 1089 95 95 LYS CE C 42.129 0.200 1 1090 95 95 LYS N N 128.643 0.300 1 1091 96 96 VAL H H 7.767 0.050 1 1092 96 96 VAL HA H 4.720 0.050 1 1093 96 96 VAL HB H 0.785 0.050 1 1094 96 96 VAL HG1 H -0.003 0.050 1 1095 96 96 VAL HG2 H 0.406 0.050 1 1096 96 96 VAL C C 173.860 0.200 1 1097 96 96 VAL CA C 60.987 0.200 1 1098 96 96 VAL CB C 34.549 0.200 1 1099 96 96 VAL CG1 C 22.184 0.200 1 1100 96 96 VAL CG2 C 21.669 0.200 1 1101 96 96 VAL N N 117.590 0.300 1 1102 97 97 TYR H H 9.662 0.050 1 1103 97 97 TYR HA H 5.281 0.050 1 1104 97 97 TYR HB2 H 2.578 0.050 1 1105 97 97 TYR HB3 H 2.578 0.050 1 1106 97 97 TYR HD1 H 6.992 0.050 3 1107 97 97 TYR HD2 H 6.992 0.050 3 1108 97 97 TYR HE1 H 6.741 0.050 3 1109 97 97 TYR HE2 H 6.741 0.050 3 1110 97 97 TYR C C 175.728 0.200 1 1111 97 97 TYR CA C 55.871 0.200 1 1112 97 97 TYR CB C 42.032 0.200 1 1113 97 97 TYR CD1 C 133.477 0.200 3 1114 97 97 TYR CD2 C 133.477 0.200 3 1115 97 97 TYR CE1 C 118.249 0.200 3 1116 97 97 TYR CE2 C 118.249 0.200 3 1117 97 97 TYR N N 125.232 0.300 1 1118 98 98 SER H H 9.003 0.050 1 1119 98 98 SER HA H 4.947 0.050 1 1120 98 98 SER HB2 H 4.288 0.050 2 1121 98 98 SER HB3 H 4.015 0.050 2 1122 98 98 SER C C 175.579 0.200 1 1123 98 98 SER CA C 57.236 0.200 1 1124 98 98 SER CB C 65.003 0.200 1 1125 98 98 SER N N 114.093 0.300 1 1126 99 99 THR H H 8.604 0.050 1 1127 99 99 THR HA H 4.444 0.050 1 1128 99 99 THR HB H 4.459 0.050 1 1129 99 99 THR HG2 H 1.126 0.050 1 1130 99 99 THR C C 175.321 0.200 1 1131 99 99 THR CA C 61.774 0.200 1 1132 99 99 THR CB C 69.368 0.200 1 1133 99 99 THR CG2 C 21.860 0.200 1 1134 99 99 THR N N 110.070 0.300 1 1135 100 100 ASN H H 8.388 0.050 1 1136 100 100 ASN HA H 4.692 0.050 1 1137 100 100 ASN HB2 H 2.736 0.050 1 1138 100 100 ASN HB3 H 2.736 0.050 1 1139 100 100 ASN HD21 H 6.889 0.050 1 1140 100 100 ASN HD22 H 7.621 0.050 1 1141 100 100 ASN C C 175.323 0.200 1 1142 100 100 ASN CA C 53.409 0.200 1 1143 100 100 ASN CB C 39.010 0.200 1 1144 100 100 ASN N N 119.390 0.300 1 1145 100 100 ASN ND2 N 112.854 0.300 1 1146 101 101 GLU H H 8.611 0.050 1 1147 101 101 GLU HA H 4.165 0.050 1 1148 101 101 GLU HB2 H 2.080 0.050 2 1149 101 101 GLU HB3 H 1.955 0.050 2 1150 101 101 GLU HG2 H 2.255 0.050 1 1151 101 101 GLU HG3 H 2.255 0.050 1 1152 101 101 GLU C C 176.009 0.200 1 1153 101 101 GLU CA C 57.761 0.200 1 1154 101 101 GLU CB C 29.871 0.200 1 1155 101 101 GLU CG C 36.125 0.200 1 1156 101 101 GLU N N 120.756 0.300 1 1157 102 102 ASP H H 8.303 0.050 1 1158 102 102 ASP HA H 4.684 0.050 1 1159 102 102 ASP HB2 H 2.811 0.050 2 1160 102 102 ASP HB3 H 2.615 0.050 2 1161 102 102 ASP C C 176.138 0.200 1 1162 102 102 ASP CA C 54.293 0.200 1 1163 102 102 ASP CB C 41.047 0.200 1 1164 102 102 ASP N N 119.341 0.300 1 1165 103 103 SER H H 8.047 0.050 1 1166 103 103 SER HA H 4.509 0.050 1 1167 103 103 SER HB2 H 3.967 0.050 1 1168 103 103 SER HB3 H 3.967 0.050 1 1169 103 103 SER C C 174.462 0.200 1 1170 103 103 SER CA C 58.156 0.200 1 1171 103 103 SER CB C 64.375 0.200 1 1172 103 103 SER N N 115.614 0.300 1 1173 104 104 ASP H H 8.517 0.050 1 1174 104 104 ASP HA H 4.744 0.050 1 1175 104 104 ASP HB2 H 2.759 0.050 2 1176 104 104 ASP HB3 H 2.759 0.050 2 1177 104 104 ASP C C 175.837 0.200 1 1178 104 104 ASP CA C 54.179 0.200 1 1179 104 104 ASP CB C 41.400 0.200 1 1180 104 104 ASP N N 123.021 0.300 1 1181 105 105 ALA H H 8.049 0.050 1 1182 105 105 ALA HA H 4.368 0.050 1 1183 105 105 ALA HB H 1.477 0.050 1 1184 105 105 ALA C C 177.772 0.200 1 1185 105 105 ALA CA C 52.748 0.200 1 1186 105 105 ALA CB C 19.433 0.200 1 1187 105 105 ALA N N 124.036 0.300 1 1188 106 106 LYS H H 8.590 0.050 1 1189 106 106 LYS HA H 4.522 0.050 1 1190 106 106 LYS HB2 H 1.935 0.050 2 1191 106 106 LYS HB3 H 1.800 0.050 2 1192 106 106 LYS HG2 H 1.435 0.050 1 1193 106 106 LYS HG3 H 1.435 0.050 1 1194 106 106 LYS HD2 H 1.777 0.050 1 1195 106 106 LYS HD3 H 1.777 0.050 1 1196 106 106 LYS HE2 H 3.065 0.050 1 1197 106 106 LYS HE3 H 3.065 0.050 1 1198 106 106 LYS C C 176.396 0.200 1 1199 106 106 LYS CA C 55.744 0.200 1 1200 106 106 LYS CB C 32.828 0.200 1 1201 106 106 LYS CG C 24.591 0.200 1 1202 106 106 LYS CD C 29.323 0.200 1 1203 106 106 LYS CE C 42.156 0.200 1 1204 106 106 LYS N N 118.842 0.300 1 1205 107 107 ASP H H 8.499 0.050 1 1206 107 107 ASP HA H 4.581 0.050 1 1207 107 107 ASP HB2 H 2.797 0.050 1 1208 107 107 ASP HB3 H 2.797 0.050 1 1209 107 107 ASP C C 175.366 0.200 1 1210 107 107 ASP CA C 55.925 0.200 1 1211 107 107 ASP CB C 40.700 0.200 1 1212 107 107 ASP N N 120.043 0.300 1 1213 108 108 GLU H H 7.724 0.050 1 1214 108 108 GLU HA H 5.436 0.050 1 1215 108 108 GLU HB2 H 2.054 0.050 2 1216 108 108 GLU HB3 H 2.054 0.050 2 1217 108 108 GLU HG2 H 2.244 0.050 1 1218 108 108 GLU HG3 H 2.243 0.050 1 1219 108 108 GLU C C 174.849 0.200 1 1220 108 108 GLU CA C 55.048 0.200 1 1221 108 108 GLU CB C 33.229 0.200 1 1222 108 108 GLU CG C 36.828 0.200 1 1223 108 108 GLU N N 117.614 0.300 1 1224 109 109 ILE H H 8.743 0.050 1 1225 109 109 ILE HA H 4.804 0.050 1 1226 109 109 ILE HB H 1.682 0.050 1 1227 109 109 ILE HG12 H 0.785 0.050 2 1228 109 109 ILE HG13 H 0.521 0.050 2 1229 109 109 ILE HG2 H 0.591 0.050 1 1230 109 109 ILE HD1 H -0.542 0.050 1 1231 109 109 ILE C C 173.473 0.200 1 1232 109 109 ILE CA C 59.917 0.200 1 1233 109 109 ILE CB C 42.353 0.200 1 1234 109 109 ILE CG1 C 25.458 0.200 1 1235 109 109 ILE CG2 C 17.454 0.200 1 1236 109 109 ILE CD1 C 11.009 0.200 1 1237 109 109 ILE N N 115.997 0.300 1 1238 110 110 ILE H H 9.059 0.050 1 1239 110 110 ILE HA H 5.276 0.050 1 1240 110 110 ILE HB H 1.717 0.050 1 1241 110 110 ILE HG12 H 1.397 0.050 2 1242 110 110 ILE HG13 H 1.111 0.050 2 1243 110 110 ILE HG2 H 0.829 0.050 1 1244 110 110 ILE HD1 H 0.745 0.050 1 1245 110 110 ILE C C 175.150 0.200 1 1246 110 110 ILE CA C 58.601 0.200 1 1247 110 110 ILE CB C 39.320 0.200 1 1248 110 110 ILE CG1 C 27.080 0.200 1 1249 110 110 ILE CG2 C 17.370 0.200 1 1250 110 110 ILE CD1 C 12.732 0.200 1 1251 110 110 ILE N N 119.890 0.300 1 1252 111 111 VAL H H 9.486 0.050 1 1253 111 111 VAL HA H 4.678 0.050 1 1254 111 111 VAL HB H 1.815 0.050 1 1255 111 111 VAL HG1 H 0.703 0.050 1 1256 111 111 VAL HG2 H 0.875 0.050 1 1257 111 111 VAL C C 174.633 0.200 1 1258 111 111 VAL CA C 60.707 0.200 1 1259 111 111 VAL CB C 35.938 0.200 1 1260 111 111 VAL CG1 C 21.884 0.200 1 1261 111 111 VAL CG2 C 20.977 0.200 1 1262 111 111 VAL N N 125.973 0.300 1 1263 112 112 GLU H H 8.354 0.050 1 1264 112 112 GLU HA H 4.796 0.050 1 1265 112 112 GLU HB2 H 2.563 0.050 2 1266 112 112 GLU HB3 H 1.998 0.050 2 1267 112 112 GLU HG2 H 2.099 0.050 2 1268 112 112 GLU HG3 H 1.832 0.050 2 1269 112 112 GLU C C 174.633 0.200 1 1270 112 112 GLU CA C 55.088 0.200 1 1271 112 112 GLU CB C 31.503 0.200 1 1272 112 112 GLU CG C 35.412 0.200 1 1273 112 112 GLU N N 127.784 0.300 1 1274 113 113 PHE H H 9.404 0.050 1 1275 113 113 PHE HA H 5.430 0.050 1 1276 113 113 PHE HB2 H 2.838 0.050 2 1277 113 113 PHE HB3 H 2.679 0.050 2 1278 113 113 PHE HD1 H 6.304 0.050 3 1279 113 113 PHE HD2 H 6.304 0.050 3 1280 113 113 PHE HE1 H 6.744 0.050 3 1281 113 113 PHE HE2 H 6.744 0.050 3 1282 113 113 PHE HZ H 7.023 0.050 1 1283 113 113 PHE C C 174.979 0.200 1 1284 113 113 PHE CA C 54.831 0.200 1 1285 113 113 PHE CB C 40.344 0.200 1 1286 113 113 PHE CD1 C 130.750 0.200 3 1287 113 113 PHE CD2 C 130.750 0.200 3 1288 113 113 PHE CE1 C 130.743 0.200 3 1289 113 113 PHE CE2 C 130.743 0.200 3 1290 113 113 PHE CZ C 128.992 0.200 1 1291 113 113 PHE N N 129.690 0.300 1 1292 114 114 ASN H H 9.410 0.050 1 1293 114 114 ASN HA H 4.097 0.050 1 1294 114 114 ASN HB2 H 2.749 0.050 2 1295 114 114 ASN HB3 H 1.944 0.050 2 1296 114 114 ASN HD21 H 6.640 0.050 1 1297 114 114 ASN HD22 H 7.183 0.050 1 1298 114 114 ASN C C 173.905 0.200 1 1299 114 114 ASN CA C 53.879 0.200 1 1300 114 114 ASN CB C 36.094 0.200 1 1301 114 114 ASN N N 129.780 0.300 1 1302 114 114 ASN ND2 N 111.468 0.300 1 1303 115 115 ARG H H 8.897 0.050 1 1304 115 115 ARG HA H 3.645 0.050 1 1305 115 115 ARG HB2 H 2.038 0.050 1 1306 115 115 ARG HB3 H 2.038 0.050 1 1307 115 115 ARG HG2 H 1.468 0.050 1 1308 115 115 ARG HG3 H 1.468 0.050 1 1309 115 115 ARG HD2 H 3.130 0.050 1 1310 115 115 ARG HD3 H 3.130 0.050 1 1311 115 115 ARG C C 174.332 0.200 1 1312 115 115 ARG CA C 57.670 0.200 1 1313 115 115 ARG CB C 27.495 0.200 1 1314 115 115 ARG CG C 28.100 0.200 1 1315 115 115 ARG CD C 43.170 0.200 1 1316 115 115 ARG N N 107.935 0.300 1 1317 116 116 GLU H H 7.633 0.050 1 1318 116 116 GLU HA H 4.356 0.050 1 1319 116 116 GLU HB2 H 1.942 0.050 1 1320 116 116 GLU HB3 H 1.942 0.050 1 1321 116 116 GLU HG2 H 2.260 0.050 2 1322 116 116 GLU HG3 H 2.099 0.050 2 1323 116 116 GLU C C 172.615 0.200 1 1324 116 116 GLU CA C 54.402 0.200 1 1325 116 116 GLU CB C 33.340 0.200 1 1326 116 116 GLU CG C 37.933 0.200 1 1327 116 116 GLU N N 119.376 0.300 1 1328 117 117 TYR H H 8.735 0.050 1 1329 117 117 TYR HA H 5.131 0.050 1 1330 117 117 TYR HB2 H 2.713 0.050 2 1331 117 117 TYR HB3 H 2.295 0.050 2 1332 117 117 TYR HD1 H 6.804 0.050 3 1333 117 117 TYR HD2 H 6.804 0.050 3 1334 117 117 TYR C C 174.591 0.200 1 1335 117 117 TYR CA C 57.769 0.200 1 1336 117 117 TYR CB C 39.741 0.200 1 1337 117 117 TYR CD1 C 132.109 0.200 3 1338 117 117 TYR CD2 C 132.109 0.200 3 1339 117 117 TYR N N 118.855 0.300 1 1340 118 118 TYR H H 9.042 0.050 1 1341 118 118 TYR HA H 5.164 0.050 1 1342 118 118 TYR HB2 H 2.649 0.050 1 1343 118 118 TYR HB3 H 2.649 0.050 1 1344 118 118 TYR HD1 H 7.155 0.050 3 1345 118 118 TYR HD2 H 7.155 0.050 3 1346 118 118 TYR HE1 H 7.007 0.050 3 1347 118 118 TYR HE2 H 7.007 0.050 3 1348 118 118 TYR C C 176.010 0.200 1 1349 118 118 TYR CA C 56.455 0.200 1 1350 118 118 TYR CB C 42.250 0.200 1 1351 118 118 TYR CD1 C 133.282 0.200 3 1352 118 118 TYR CD2 C 133.282 0.200 3 1353 118 118 TYR CE1 C 118.234 0.200 3 1354 118 118 TYR CE2 C 118.234 0.200 3 1355 118 118 TYR N N 119.610 0.300 1 1356 119 119 ARG H H 8.870 0.050 1 1357 119 119 ARG HA H 4.691 0.050 1 1358 119 119 ARG HB2 H 1.810 0.050 2 1359 119 119 ARG HB3 H 1.584 0.050 2 1360 119 119 ARG HG2 H 1.360 0.050 1 1361 119 119 ARG HG3 H 1.360 0.050 1 1362 119 119 ARG HD2 H 3.202 0.050 2 1363 119 119 ARG HD3 H 3.267 0.050 2 1364 119 119 ARG HE H 8.197 0.050 1 1365 119 119 ARG C C 173.991 0.200 1 1366 119 119 ARG CA C 56.455 0.200 1 1367 119 119 ARG CB C 31.379 0.200 1 1368 119 119 ARG CG C 28.062 0.200 1 1369 119 119 ARG CD C 43.080 0.200 1 1370 119 119 ARG N N 123.962 0.300 1 1371 119 119 ARG NE N 111.899 0.300 1 1372 120 120 ALA H H 9.540 0.050 1 1373 120 120 ALA HA H 5.549 0.050 1 1374 120 120 ALA HB H 1.046 0.050 1 1375 120 120 ALA C C 175.471 0.200 1 1376 120 120 ALA CA C 50.233 0.200 1 1377 120 120 ALA CB C 22.313 0.200 1 1378 120 120 ALA N N 130.481 0.300 1 1379 121 121 VAL H H 8.534 0.050 1 1380 121 121 VAL HA H 5.180 0.050 1 1381 121 121 VAL HB H 2.208 0.050 1 1382 121 121 VAL HG1 H 1.028 0.050 1 1383 121 121 VAL HG2 H 1.075 0.050 1 1384 121 121 VAL C C 175.536 0.200 1 1385 121 121 VAL CA C 59.501 0.200 1 1386 121 121 VAL CB C 35.149 0.200 1 1387 121 121 VAL CG1 C 20.493 0.200 1 1388 121 121 VAL CG2 C 21.585 0.200 1 1389 121 121 VAL N N 115.939 0.300 1 1390 122 122 LEU H H 8.373 0.050 1 1391 122 122 LEU HA H 3.641 0.050 1 1392 122 122 LEU HB2 H 1.497 0.050 1 1393 122 122 LEU HB3 H 1.497 0.050 1 1394 122 122 LEU HG H 1.327 0.050 1 1395 122 122 LEU HD1 H 0.529 0.050 1 1396 122 122 LEU HD2 H 0.626 0.050 1 1397 122 122 LEU C C 177.471 0.200 1 1398 122 122 LEU CA C 55.921 0.200 1 1399 122 122 LEU CB C 43.309 0.200 1 1400 122 122 LEU CG C 26.745 0.200 1 1401 122 122 LEU CD1 C 25.289 0.200 1 1402 122 122 LEU CD2 C 24.734 0.200 1 1403 122 122 LEU N N 128.194 0.300 1 1404 123 123 ILE H H 8.396 0.050 1 1405 123 123 ILE HA H 3.981 0.050 1 1406 123 123 ILE HB H 1.575 0.050 1 1407 123 123 ILE HG12 H 1.387 0.050 2 1408 123 123 ILE HG13 H 0.963 0.050 2 1409 123 123 ILE HG2 H 0.776 0.050 1 1410 123 123 ILE HD1 H 0.569 0.050 1 1411 123 123 ILE C C 176.313 0.200 1 1412 123 123 ILE CA C 62.365 0.200 1 1413 123 123 ILE CB C 37.776 0.200 1 1414 123 123 ILE CG1 C 28.227 0.200 1 1415 123 123 ILE CG2 C 17.099 0.200 1 1416 123 123 ILE CD1 C 12.860 0.200 1 1417 123 123 ILE N N 127.116 0.300 1 1418 124 124 LYS H H 8.417 0.050 1 1419 124 124 LYS HA H 4.298 0.050 1 1420 124 124 LYS HB2 H 1.868 0.050 2 1421 124 124 LYS HB3 H 1.748 0.050 2 1422 124 124 LYS HG2 H 1.312 0.050 1 1423 124 124 LYS HG3 H 1.312 0.050 1 1424 124 124 LYS HD2 H 1.673 0.050 1 1425 124 124 LYS HD3 H 1.673 0.050 1 1426 124 124 LYS HE2 H 2.978 0.050 1 1427 124 124 LYS HE3 H 2.978 0.050 1 1428 124 124 LYS C C 176.051 0.200 1 1429 124 124 LYS CA C 56.305 0.200 1 1430 124 124 LYS CB C 33.159 0.200 1 1431 124 124 LYS CG C 24.930 0.200 1 1432 124 124 LYS CD C 29.116 0.200 1 1433 124 124 LYS CE C 42.156 0.200 1 1434 124 124 LYS N N 124.380 0.300 1 1435 125 125 ASN H H 8.200 0.050 1 1436 125 125 ASN HA H 4.728 0.050 1 1437 125 125 ASN HB2 H 2.890 0.050 2 1438 125 125 ASN HB3 H 2.736 0.050 2 1439 125 125 ASN HD21 H 6.974 0.050 1 1440 125 125 ASN HD22 H 7.703 0.050 1 1441 125 125 ASN C C 175.235 0.200 1 1442 125 125 ASN CA C 53.018 0.200 1 1443 125 125 ASN CB C 38.938 0.200 1 1444 125 125 ASN N N 119.520 0.300 1 1445 125 125 ASN ND2 N 112.866 0.300 1 1446 126 126 GLU H H 8.262 0.050 1 1447 126 126 GLU HA H 4.289 0.050 1 1448 126 126 GLU HB2 H 2.067 0.050 2 1449 126 126 GLU HB3 H 1.983 0.050 2 1450 126 126 GLU HG2 H 2.290 0.050 2 1451 126 126 GLU HG3 H 2.191 0.050 2 1452 126 126 GLU C C 176.117 0.200 1 1453 126 126 GLU CA C 56.677 0.200 1 1454 126 126 GLU CB C 30.389 0.200 1 1455 126 126 GLU CG C 36.267 0.200 1 1456 126 126 GLU N N 122.020 0.300 1 1457 127 127 LYS H H 8.322 0.050 1 1458 127 127 LYS HA H 4.337 0.050 1 1459 127 127 LYS HB2 H 1.858 0.050 2 1460 127 127 LYS HB3 H 1.751 0.050 2 1461 127 127 LYS HG2 H 1.435 0.050 1 1462 127 127 LYS HG3 H 1.435 0.050 1 1463 127 127 LYS HD2 H 1.655 0.050 1 1464 127 127 LYS HD3 H 1.655 0.050 1 1465 127 127 LYS HE2 H 2.977 0.050 1 1466 127 127 LYS HE3 H 2.977 0.050 1 1467 127 127 LYS C C 175.623 0.200 1 1468 127 127 LYS CA C 56.130 0.200 1 1469 127 127 LYS CB C 33.161 0.200 1 1470 127 127 LYS CG C 24.535 0.200 1 1471 127 127 LYS CD C 29.268 0.200 1 1472 127 127 LYS CE C 42.183 0.200 1 1473 127 127 LYS N N 122.694 0.300 1 1474 128 128 GLU H H 8.019 0.050 1 1475 128 128 GLU HA H 4.095 0.050 1 1476 128 128 GLU HB2 H 1.877 0.050 1 1477 128 128 GLU HB3 H 1.877 0.050 1 1478 128 128 GLU HG2 H 2.193 0.050 1 1479 128 128 GLU HG3 H 2.193 0.050 1 1480 128 128 GLU C C 181.167 0.200 1 1481 128 128 GLU CA C 58.163 0.200 1 1482 128 128 GLU CB C 31.138 0.200 1 1483 128 128 GLU CG C 36.519 0.200 1 1484 128 128 GLU N N 127.389 0.300 1 stop_ save_