data_26840 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; '1H, 13C, and 15N Chemical Shift Assignments for the periplasmic domain of GacS histidine-kinase' ; _BMRB_accession_number 26840 _BMRB_flat_file_name bmr26840.str _Entry_type original _Submission_date 2016-06-27 _Accession_date 2016-06-27 _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 Ali-Ahmad Ahmad . . 2 Bornet Olivier . . 3 Guerlesquin Francoise . . 4 Sebban-Kreuzer Corinne . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 772 "13C chemical shifts" 568 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-14 update BMRB 'update entry citation' 2017-02-20 original author 'original release' stop_ _Original_release_date 2016-06-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignments of the GacS histidine-kinase periplasmic detection domain from Pseudomonas aeruginosa PAO1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27714507 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Ali Ahmad' Ahmad . . 2 Bornet Olivier . . 3 Guerlesquin Francoise . . 4 Bourne Yves . . 5 Vincent Florence . . 6 Sebban-Kreuzer Corinne . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 25 _Page_last 28 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GacSperi monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'GacSperi monomer' $GacSperi stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GacSperi _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GacSperi _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; MGHHHHHHSSGVDLGTENLY FQSMRAQLIERGQLIAEQLA PLAATALARKDTAVLNRIAN EALDQPDVRAVTFLDARQER LAHAGPSMLTVAPAGDASHL SMSTELDTTHFLLPVLGRHH SLSGATEPDDERVLGWVELE LSHHGTLLRG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 HIS 4 4 HIS 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 SER 10 10 SER 11 11 GLY 12 12 VAL 13 13 ASP 14 14 LEU 15 15 GLY 16 16 THR 17 17 GLU 18 18 ASN 19 19 LEU 20 20 TYR 21 21 PHE 22 22 GLN 23 23 SER 24 24 MET 25 25 ARG 26 26 ALA 27 27 GLN 28 28 LEU 29 29 ILE 30 30 GLU 31 31 ARG 32 32 GLY 33 33 GLN 34 34 LEU 35 35 ILE 36 36 ALA 37 37 GLU 38 38 GLN 39 39 LEU 40 40 ALA 41 41 PRO 42 42 LEU 43 43 ALA 44 44 ALA 45 45 THR 46 46 ALA 47 47 LEU 48 48 ALA 49 49 ARG 50 50 LYS 51 51 ASP 52 52 THR 53 53 ALA 54 54 VAL 55 55 LEU 56 56 ASN 57 57 ARG 58 58 ILE 59 59 ALA 60 60 ASN 61 61 GLU 62 62 ALA 63 63 LEU 64 64 ASP 65 65 GLN 66 66 PRO 67 67 ASP 68 68 VAL 69 69 ARG 70 70 ALA 71 71 VAL 72 72 THR 73 73 PHE 74 74 LEU 75 75 ASP 76 76 ALA 77 77 ARG 78 78 GLN 79 79 GLU 80 80 ARG 81 81 LEU 82 82 ALA 83 83 HIS 84 84 ALA 85 85 GLY 86 86 PRO 87 87 SER 88 88 MET 89 89 LEU 90 90 THR 91 91 VAL 92 92 ALA 93 93 PRO 94 94 ALA 95 95 GLY 96 96 ASP 97 97 ALA 98 98 SER 99 99 HIS 100 100 LEU 101 101 SER 102 102 MET 103 103 SER 104 104 THR 105 105 GLU 106 106 LEU 107 107 ASP 108 108 THR 109 109 THR 110 110 HIS 111 111 PHE 112 112 LEU 113 113 LEU 114 114 PRO 115 115 VAL 116 116 LEU 117 117 GLY 118 118 ARG 119 119 HIS 120 120 HIS 121 121 SER 122 122 LEU 123 123 SER 124 124 GLY 125 125 ALA 126 126 THR 127 127 GLU 128 128 PRO 129 129 ASP 130 130 ASP 131 131 GLU 132 132 ARG 133 133 VAL 134 134 LEU 135 135 GLY 136 136 TRP 137 137 VAL 138 138 GLU 139 139 LEU 140 140 GLU 141 141 LEU 142 142 SER 143 143 HIS 144 144 HIS 145 145 GLY 146 146 THR 147 147 LEU 148 148 LEU 149 149 ARG 150 150 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $GacSperi g-proteobacteria 287 Bacteria . Pseudomonas aeruginosa PAO1 PA0928 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 $GacSperi 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GacSperi 1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GacSperi 0.8 mM '[U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GacSperi 0.8 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.9 loop_ _Vendor _Address _Electronic_address 'CARA Definition Team (CDT)' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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 'Uniform NMR System' _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_3 save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_2D_CBCACO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CBCACO' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external indirect . . . 1 DSS N 15 'methyl protons' ppm 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNHA' '2D 1H-13C HSQC' '3D HNCO' '3D HCACO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-13C NOESY aromatic' '2D CBCACO' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'GacSperi 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 GLY H H 8.473 0.020 1 2 2 2 GLY HA2 H 4.727 0.020 2 3 2 2 GLY HA3 H 3.856 0.020 2 4 2 2 GLY C C 174.050 0.3 1 5 2 2 GLY CA C 45.409 0.3 1 6 2 2 GLY N N 110.225 0.3 1 7 8 8 HIS H H 8.574 0.020 1 8 8 8 HIS HA H 4.536 0.020 1 9 8 8 HIS HB2 H 2.591 0.020 1 10 8 8 HIS HB3 H 2.591 0.020 1 11 8 8 HIS CA C 56.038 0.3 1 12 8 8 HIS CB C 29.830 0.3 1 13 8 8 HIS N N 120.891 0.3 1 14 10 10 SER H H 8.494 0.020 1 15 10 10 SER HA H 4.349 0.020 1 16 10 10 SER HB2 H 3.810 0.020 1 17 10 10 SER HB3 H 3.810 0.020 1 18 10 10 SER C C 174.863 0.3 1 19 10 10 SER CA C 58.596 0.3 1 20 10 10 SER N N 118.066 0.3 1 21 11 11 GLY H H 8.397 0.020 1 22 11 11 GLY HA2 H 3.896 0.020 1 23 11 11 GLY HA3 H 3.896 0.020 1 24 11 11 GLY C C 174.050 0.3 1 25 11 11 GLY CA C 45.423 0.3 1 26 11 11 GLY N N 110.697 0.3 1 27 12 12 VAL H H 7.871 0.020 1 28 12 12 VAL HA H 4.039 0.020 1 29 12 12 VAL HB H 1.952 0.020 1 30 12 12 VAL HG1 H 0.791 0.020 1 31 12 12 VAL HG2 H 0.791 0.020 1 32 12 12 VAL C C 175.644 0.3 1 33 12 12 VAL CA C 62.030 0.3 1 34 12 12 VAL CB C 32.740 0.3 1 35 12 12 VAL CG1 C 20.846 0.3 1 36 12 12 VAL CG2 C 20.448 0.3 1 37 12 12 VAL N N 118.743 0.3 1 38 13 13 ASP H H 8.365 0.020 1 39 13 13 ASP HA H 4.565 0.020 1 40 13 13 ASP HB2 H 2.683 0.020 2 41 13 13 ASP HB3 H 2.501 0.020 2 42 13 13 ASP C C 178.206 0.3 1 43 13 13 ASP CA C 54.318 0.3 1 44 13 13 ASP CB C 41.206 0.3 1 45 13 13 ASP N N 123.907 0.3 1 46 14 14 LEU H H 8.339 0.020 1 47 14 14 LEU HA H 4.220 0.020 1 48 14 14 LEU HB2 H 1.593 0.020 1 49 14 14 LEU HB3 H 1.593 0.020 1 50 14 14 LEU HG H 1.546 0.020 1 51 14 14 LEU HD1 H 1.313 0.020 2 52 14 14 LEU HD2 H 0.776 0.020 2 53 14 14 LEU N N 123.803 0.3 1 54 15 15 GLY H H 8.494 0.020 1 55 15 15 GLY HA2 H 3.927 0.020 1 56 15 15 GLY HA3 H 3.927 0.020 1 57 15 15 GLY C C 175.019 0.3 1 58 15 15 GLY CA C 45.601 0.3 1 59 15 15 GLY N N 108.958 0.3 1 60 16 16 THR H H 7.937 0.020 1 61 16 16 THR HA H 4.170 0.020 1 62 16 16 THR HB H 4.190 0.020 1 63 16 16 THR HG2 H 1.119 0.020 1 64 16 16 THR C C 175.310 0.3 1 65 16 16 THR CA C 62.456 0.3 1 66 16 16 THR CB C 69.315 0.3 1 67 16 16 THR CG2 C 21.702 0.3 1 68 16 16 THR N N 113.244 0.3 1 69 17 17 GLU H H 8.500 0.020 1 70 17 17 GLU HA H 4.168 0.020 1 71 17 17 GLU HB2 H 1.938 0.020 1 72 17 17 GLU HB3 H 1.938 0.020 1 73 17 17 GLU HG2 H 2.181 0.020 1 74 17 17 GLU HG3 H 2.181 0.020 1 75 17 17 GLU CA C 57.576 0.3 1 76 17 17 GLU CB C 29.665 0.3 1 77 17 17 GLU CG C 36.193 0.3 1 78 17 17 GLU N N 122.680 0.3 1 79 18 18 ASN H H 8.336 0.020 1 80 18 18 ASN HA H 4.609 0.020 1 81 18 18 ASN HB2 H 2.796 0.020 2 82 18 18 ASN HB3 H 2.693 0.020 2 83 18 18 ASN HD21 H 7.635 0.020 1 84 18 18 ASN HD22 H 6.897 0.020 1 85 18 18 ASN C C 176.019 0.3 1 86 18 18 ASN CA C 54.216 0.3 1 87 18 18 ASN CB C 38.613 0.3 1 88 18 18 ASN N N 118.768 0.3 1 89 18 18 ASN ND2 N 112.942 0.3 1 90 19 19 LEU H H 8.138 0.020 1 91 19 19 LEU HA H 4.255 0.020 1 92 19 19 LEU HB2 H 1.551 0.020 1 93 19 19 LEU HB3 H 1.551 0.020 1 94 19 19 LEU HG H 1.499 0.020 1 95 19 19 LEU HD1 H 0.775 0.020 1 96 19 19 LEU HD2 H 0.775 0.020 1 97 19 19 LEU C C 178.456 0.3 1 98 19 19 LEU CA C 55.763 0.3 1 99 19 19 LEU CB C 41.875 0.3 1 100 19 19 LEU N N 121.951 0.3 1 101 20 20 TYR H H 8.087 0.020 1 102 20 20 TYR HA H 4.279 0.020 1 103 20 20 TYR HB2 H 3.062 0.020 2 104 20 20 TYR HB3 H 2.916 0.020 2 105 20 20 TYR HD1 H 7.015 0.020 1 106 20 20 TYR HD2 H 7.015 0.020 1 107 20 20 TYR C C 176.956 0.3 1 108 20 20 TYR CA C 59.900 0.3 1 109 20 20 TYR CB C 38.018 0.3 1 110 20 20 TYR N N 119.640 0.3 1 111 21 21 PHE H H 8.258 0.020 1 112 21 21 PHE HA H 3.950 0.020 1 113 21 21 PHE HB2 H 3.081 0.020 1 114 21 21 PHE HB3 H 3.081 0.020 1 115 21 21 PHE C C 176.015 0.3 1 116 21 21 PHE CA C 54.097 0.3 1 117 21 21 PHE CB C 36.797 0.3 1 118 21 21 PHE N N 119.178 0.3 1 119 22 22 GLN H H 7.902 0.020 1 120 22 22 GLN HA H 4.220 0.020 1 121 22 22 GLN HB2 H 1.990 0.020 1 122 22 22 GLN HB3 H 1.990 0.020 1 123 22 22 GLN HG2 H 2.305 0.020 1 124 22 22 GLN HG3 H 2.305 0.020 1 125 22 22 GLN HE21 H 7.319 0.020 1 126 22 22 GLN HE22 H 6.747 0.020 1 127 22 22 GLN C C 176.410 0.3 1 128 22 22 GLN CA C 56.652 0.3 1 129 22 22 GLN CB C 28.182 0.3 1 130 22 22 GLN CG C 33.888 0.3 1 131 22 22 GLN N N 120.063 0.3 1 132 22 22 GLN NE2 N 111.536 0.3 1 133 24 24 MET H H 8.279 0.020 1 134 24 24 MET HA H 4.237 0.020 1 135 24 24 MET HB2 H 1.856 0.020 1 136 24 24 MET HB3 H 1.856 0.020 1 137 24 24 MET HG2 H 2.547 0.020 1 138 24 24 MET HG3 H 2.547 0.020 1 139 24 24 MET C C 177.035 0.3 1 140 24 24 MET CA C 56.623 0.3 1 141 24 24 MET CB C 30.630 0.3 1 142 24 24 MET CG C 31.867 0.3 1 143 24 24 MET N N 121.638 0.3 1 144 25 25 ARG H H 8.303 0.020 1 145 25 25 ARG HA H 3.994 0.020 1 146 25 25 ARG HB2 H 1.892 0.020 1 147 25 25 ARG HB3 H 1.892 0.020 1 148 25 25 ARG HG2 H 1.423 0.020 1 149 25 25 ARG HG3 H 1.423 0.020 1 150 25 25 ARG HD2 H 3.098 0.020 1 151 25 25 ARG HD3 H 3.098 0.020 1 152 25 25 ARG HE H 7.448 0.020 1 153 25 25 ARG C C 178.572 0.3 1 154 25 25 ARG CA C 58.722 0.3 1 155 25 25 ARG CB C 29.444 0.3 1 156 25 25 ARG CG C 26.994 0.3 1 157 25 25 ARG CD C 41.616 0.3 1 158 26 26 ALA H H 7.894 0.020 1 159 26 26 ALA HA H 4.449 0.020 1 160 26 26 ALA HB H 1.413 0.020 1 161 26 26 ALA C C 180.550 0.3 1 162 26 26 ALA CA C 54.832 0.3 1 163 26 26 ALA CB C 18.195 0.3 1 164 26 26 ALA N N 120.502 0.3 1 165 27 27 GLN H H 7.978 0.020 1 166 27 27 GLN HA H 3.954 0.020 1 167 27 27 GLN HB2 H 2.057 0.020 1 168 27 27 GLN HB3 H 2.057 0.020 1 169 27 27 GLN HG2 H 2.300 0.020 2 170 27 27 GLN HG3 H 2.235 0.020 2 171 27 27 GLN HE21 H 7.527 0.020 1 172 27 27 GLN HE22 H 6.701 0.020 1 173 27 27 GLN C C 178.519 0.3 1 174 27 27 GLN CA C 58.905 0.3 1 175 27 27 GLN CB C 28.209 0.3 1 176 27 27 GLN CG C 33.468 0.3 1 177 27 27 GLN CD C 180.214 0.3 1 178 27 27 GLN N N 117.856 0.3 1 179 27 27 GLN NE2 N 110.945 0.3 1 180 28 28 LEU H H 8.000 0.020 1 181 28 28 LEU HA H 4.101 0.020 1 182 28 28 LEU HB2 H 1.774 0.020 2 183 28 28 LEU HB3 H 1.668 0.020 2 184 28 28 LEU HG H 1.997 0.020 1 185 28 28 LEU HD1 H 0.783 0.020 2 186 28 28 LEU HD2 H 0.823 0.020 2 187 28 28 LEU C C 178.537 0.3 1 188 28 28 LEU CA C 56.914 0.3 1 189 28 28 LEU CB C 43.197 0.3 1 190 28 28 LEU CG C 26.484 0.3 1 191 28 28 LEU CD1 C 25.170 0.3 1 192 28 28 LEU CD2 C 23.211 0.3 1 193 28 28 LEU N N 117.705 0.3 1 194 29 29 ILE H H 8.008 0.020 1 195 29 29 ILE HA H 3.583 0.020 1 196 29 29 ILE HB H 1.884 0.020 1 197 29 29 ILE HG12 H 1.108 0.020 1 198 29 29 ILE HG13 H 1.108 0.020 1 199 29 29 ILE HG2 H 0.909 0.020 1 200 29 29 ILE HD1 H 0.789 0.020 1 201 29 29 ILE C C 175.653 0.3 1 202 29 29 ILE CA C 62.253 0.3 1 203 29 29 ILE CB C 38.026 0.3 1 204 29 29 ILE CG1 C 27.000 0.3 1 205 29 29 ILE CG2 C 17.185 0.3 1 206 29 29 ILE CD1 C 13.057 0.3 1 207 29 29 ILE N N 122.185 0.3 1 208 30 30 GLU H H 7.734 0.020 1 209 30 30 GLU HA H 3.944 0.020 1 210 30 30 GLU HB2 H 2.136 0.020 1 211 30 30 GLU HB3 H 2.136 0.020 1 212 30 30 GLU HG2 H 2.313 0.020 1 213 30 30 GLU HG3 H 2.313 0.020 1 214 30 30 GLU C C 179.014 0.3 1 215 30 30 GLU CA C 59.526 0.3 1 216 30 30 GLU CB C 29.044 0.3 1 217 30 30 GLU CG C 36.510 0.3 1 218 30 30 GLU CD C 183.707 0.3 1 219 30 30 GLU N N 119.080 0.3 1 220 31 31 ARG H H 7.557 0.020 1 221 31 31 ARG HA H 3.957 0.020 1 222 31 31 ARG HB2 H 1.626 0.020 1 223 31 31 ARG HB3 H 1.626 0.020 1 224 31 31 ARG HG2 H 1.611 0.020 1 225 31 31 ARG HG3 H 1.611 0.020 1 226 31 31 ARG HD2 H 3.082 0.020 1 227 31 31 ARG HD3 H 3.082 0.020 1 228 31 31 ARG C C 179.166 0.3 1 229 31 31 ARG CA C 58.092 0.3 1 230 31 31 ARG CB C 30.515 0.3 1 231 31 31 ARG CG C 26.921 0.3 1 232 31 31 ARG CD C 43.131 0.3 1 233 31 31 ARG N N 119.021 0.3 1 234 32 32 GLY H H 8.433 0.020 1 235 32 32 GLY HA2 H 3.152 0.020 2 236 32 32 GLY HA3 H 2.829 0.020 2 237 32 32 GLY C C 178.395 0.3 1 238 32 32 GLY CA C 47.494 0.3 1 239 32 32 GLY N N 106.020 0.3 1 240 33 33 GLN H H 7.830 0.020 1 241 33 33 GLN HA H 4.121 0.020 1 242 33 33 GLN HB2 H 2.070 0.020 1 243 33 33 GLN HB3 H 2.070 0.020 1 244 33 33 GLN HG2 H 2.292 0.020 1 245 33 33 GLN HG3 H 2.292 0.020 1 246 33 33 GLN HE21 H 7.308 0.020 1 247 33 33 GLN HE22 H 6.677 0.020 1 248 33 33 GLN C C 177.527 0.3 1 249 33 33 GLN CA C 58.300 0.3 1 250 33 33 GLN CB C 28.982 0.3 1 251 33 33 GLN CG C 33.562 0.3 1 252 33 33 GLN CD C 179.661 0.3 1 253 33 33 GLN N N 117.923 0.3 1 254 33 33 GLN NE2 N 110.547 0.3 1 255 34 34 LEU H H 7.924 0.020 1 256 34 34 LEU HA H 4.073 0.020 1 257 34 34 LEU HB2 H 1.431 0.020 1 258 34 34 LEU HB3 H 1.431 0.020 1 259 34 34 LEU HG H 1.313 0.020 1 260 34 34 LEU HD1 H 0.723 0.020 1 261 34 34 LEU HD2 H 0.723 0.020 1 262 34 34 LEU CA C 56.165 0.3 1 263 34 34 LEU CB C 41.804 0.3 1 264 34 34 LEU CG C 26.808 0.3 1 265 34 34 LEU CD1 C 24.640 0.3 1 266 34 34 LEU CD2 C 23.556 0.3 1 267 34 34 LEU N N 121.993 0.3 1 268 35 35 ILE H H 7.990 0.020 1 269 35 35 ILE HA H 3.595 0.020 1 270 35 35 ILE HB H 1.582 0.020 1 271 35 35 ILE HG12 H 1.170 0.020 1 272 35 35 ILE HG13 H 1.170 0.020 1 273 35 35 ILE HG2 H 0.923 0.020 1 274 35 35 ILE HD1 H 0.610 0.020 1 275 35 35 ILE C C 177.206 0.3 1 276 35 35 ILE CA C 64.560 0.3 1 277 35 35 ILE CB C 37.856 0.3 1 278 35 35 ILE CG1 C 28.423 0.3 1 279 35 35 ILE CG2 C 17.105 0.3 1 280 35 35 ILE CD1 C 13.719 0.3 1 281 35 35 ILE N N 119.658 0.3 1 282 36 36 ALA H H 8.093 0.020 1 283 36 36 ALA HA H 4.687 0.020 1 284 36 36 ALA HB H 1.119 0.020 1 285 36 36 ALA C C 180.344 0.3 1 286 36 36 ALA CA C 53.726 0.3 1 287 36 36 ALA CB C 17.142 0.3 1 288 36 36 ALA N N 115.712 0.3 1 289 37 37 GLU H H 8.275 0.020 1 290 37 37 GLU HA H 4.398 0.020 1 291 37 37 GLU HB2 H 2.036 0.020 1 292 37 37 GLU HB3 H 2.036 0.020 1 293 37 37 GLU HG2 H 2.365 0.020 1 294 37 37 GLU HG3 H 2.365 0.020 1 295 37 37 GLU C C 174.964 0.3 1 296 37 37 GLU CA C 56.362 0.3 1 297 37 37 GLU CB C 29.813 0.3 1 298 37 37 GLU CG C 36.692 0.3 1 299 37 37 GLU CD C 184.177 0.3 1 300 37 37 GLU N N 119.931 0.3 1 301 38 38 GLN H H 7.996 0.020 1 302 38 38 GLN HA H 4.022 0.020 1 303 38 38 GLN HB2 H 1.995 0.020 1 304 38 38 GLN HB3 H 1.995 0.020 1 305 38 38 GLN HG2 H 2.352 0.020 1 306 38 38 GLN HG3 H 2.352 0.020 1 307 38 38 GLN HE21 H 7.467 0.020 1 308 38 38 GLN HE22 H 6.853 0.020 1 309 38 38 GLN C C 179.733 0.3 1 310 38 38 GLN CA C 59.238 0.3 1 311 38 38 GLN CB C 29.773 0.3 1 312 38 38 GLN CG C 34.216 0.3 1 313 38 38 GLN N N 119.912 0.3 1 314 38 38 GLN NE2 N 111.806 0.3 1 315 39 39 LEU H H 8.166 0.020 1 316 39 39 LEU HA H 4.277 0.020 1 317 39 39 LEU HB2 H 1.654 0.020 1 318 39 39 LEU HB3 H 1.654 0.020 1 319 39 39 LEU HG H 1.436 0.020 1 320 39 39 LEU HD1 H 0.726 0.020 1 321 39 39 LEU HD2 H 0.726 0.020 1 322 39 39 LEU C C 177.488 0.3 1 323 39 39 LEU CA C 55.533 0.3 1 324 39 39 LEU CB C 42.166 0.3 1 325 39 39 LEU CG C 26.808 0.3 1 326 39 39 LEU CD1 C 24.550 0.3 1 327 39 39 LEU CD2 C 23.285 0.3 1 328 39 39 LEU N N 115.363 0.3 1 329 40 40 ALA H H 8.271 0.020 1 330 40 40 ALA HA H 4.226 0.020 1 331 40 40 ALA HB H 1.384 0.020 1 332 40 40 ALA C C 175.800 0.3 1 333 40 40 ALA CA C 53.398 0.3 1 334 40 40 ALA CB C 19.326 0.3 1 335 40 40 ALA N N 122.795 0.3 1 336 41 41 PRO HA H 4.322 0.020 1 337 41 41 PRO HB2 H 1.860 0.020 1 338 41 41 PRO HB3 H 1.860 0.020 1 339 41 41 PRO HG2 H 1.955 0.020 1 340 41 41 PRO HG3 H 1.955 0.020 1 341 41 41 PRO C C 179.609 0.3 1 342 41 41 PRO CA C 65.400 0.3 1 343 41 41 PRO CB C 30.880 0.3 1 344 41 41 PRO CG C 27.377 0.3 1 345 42 42 LEU H H 6.678 0.020 1 346 42 42 LEU HA H 4.128 0.020 1 347 42 42 LEU HB2 H 1.855 0.020 1 348 42 42 LEU HB3 H 1.855 0.020 1 349 42 42 LEU HG H 1.741 0.020 1 350 42 42 LEU HD1 H 0.826 0.020 1 351 42 42 LEU HD2 H 0.826 0.020 1 352 42 42 LEU C C 178.444 0.3 1 353 42 42 LEU CA C 56.652 0.3 1 354 42 42 LEU CB C 41.961 0.3 1 355 42 42 LEU CG C 26.221 0.3 1 356 42 42 LEU CD1 C 24.808 0.3 1 357 42 42 LEU CD2 C 22.860 0.3 1 358 42 42 LEU N N 116.344 0.3 1 359 43 43 ALA H H 7.940 0.020 1 360 43 43 ALA HA H 3.779 0.020 1 361 43 43 ALA HB H 0.897 0.020 1 362 43 43 ALA C C 177.590 0.3 1 363 43 43 ALA CA C 52.422 0.3 1 364 43 43 ALA CB C 19.922 0.3 1 365 43 43 ALA N N 118.784 0.3 1 366 44 44 ALA H H 7.567 0.020 1 367 44 44 ALA HA H 3.545 0.020 1 368 44 44 ALA HB H 1.235 0.020 1 369 44 44 ALA C C 178.123 0.3 1 370 44 44 ALA CA C 57.350 0.3 1 371 44 44 ALA CB C 18.128 0.3 1 372 44 44 ALA N N 120.018 0.3 1 373 45 45 THR H H 8.223 0.020 1 374 45 45 THR HA H 4.025 0.020 1 375 45 45 THR HB H 3.781 0.020 1 376 45 45 THR HG2 H 1.171 0.020 1 377 45 45 THR C C 178.203 0.3 1 378 45 45 THR CA C 65.483 0.3 1 379 45 45 THR CB C 66.161 0.3 1 380 45 45 THR CG2 C 22.061 0.3 1 381 45 45 THR N N 112.404 0.3 1 382 46 46 ALA H H 7.926 0.020 1 383 46 46 ALA HA H 4.014 0.020 1 384 46 46 ALA HB H 1.270 0.020 1 385 46 46 ALA C C 180.294 0.3 1 386 46 46 ALA CA C 54.897 0.3 1 387 46 46 ALA CB C 18.071 0.3 1 388 46 46 ALA N N 124.093 0.3 1 389 47 47 LEU H H 8.714 0.020 1 390 47 47 LEU HA H 3.753 0.020 1 391 47 47 LEU HB2 H 1.736 0.020 1 392 47 47 LEU HB3 H 1.736 0.020 1 393 47 47 LEU HG H 1.419 0.020 1 394 47 47 LEU HD1 H 0.779 0.020 2 395 47 47 LEU HD2 H 0.573 0.020 2 396 47 47 LEU C C 180.130 0.3 1 397 47 47 LEU CA C 58.186 0.3 1 398 47 47 LEU CB C 41.888 0.3 1 399 47 47 LEU CG C 26.768 0.3 1 400 47 47 LEU CD1 C 24.758 0.3 1 401 47 47 LEU CD2 C 23.812 0.3 1 402 47 47 LEU N N 119.442 0.3 1 403 48 48 ALA H H 7.885 0.020 1 404 48 48 ALA HA H 3.778 0.020 1 405 48 48 ALA HB H 1.382 0.020 1 406 48 48 ALA C C 176.067 0.3 1 407 48 48 ALA CA C 55.116 0.3 1 408 48 48 ALA CB C 18.091 0.3 1 409 48 48 ALA N N 122.276 0.3 1 410 49 49 ARG H H 7.603 0.020 1 411 49 49 ARG HA H 4.251 0.020 1 412 49 49 ARG HB2 H 1.628 0.020 1 413 49 49 ARG HB3 H 1.628 0.020 1 414 49 49 ARG HG2 H 1.628 0.020 1 415 49 49 ARG HG3 H 1.628 0.020 1 416 49 49 ARG HD2 H 3.125 0.020 1 417 49 49 ARG HD3 H 3.125 0.020 1 418 49 49 ARG HE H 7.327 0.020 1 419 49 49 ARG C C 175.001 0.3 1 420 49 49 ARG CA C 55.919 0.3 1 421 49 49 ARG CB C 31.068 0.3 1 422 49 49 ARG CG C 26.768 0.3 1 423 49 49 ARG CD C 42.824 0.3 1 424 49 49 ARG N N 113.354 0.3 1 425 49 49 ARG NE N 83.757 0.3 1 426 50 50 LYS H H 7.789 0.020 1 427 50 50 LYS HA H 3.394 0.020 1 428 50 50 LYS HB2 H 2.013 0.020 1 429 50 50 LYS HB3 H 2.013 0.020 1 430 50 50 LYS HG2 H 1.314 0.020 1 431 50 50 LYS HG3 H 1.314 0.020 1 432 50 50 LYS HD2 H 1.432 0.020 1 433 50 50 LYS HD3 H 1.432 0.020 1 434 50 50 LYS HE2 H 2.985 0.020 1 435 50 50 LYS HE3 H 2.985 0.020 1 436 50 50 LYS C C 174.911 0.3 1 437 50 50 LYS CA C 57.882 0.3 1 438 50 50 LYS CB C 30.021 0.3 1 439 50 50 LYS CG C 25.539 0.3 1 440 50 50 LYS CD C 25.780 0.3 1 441 50 50 LYS CE C 43.043 0.3 1 442 50 50 LYS N N 119.906 0.3 1 443 51 51 ASP H H 8.635 0.020 1 444 51 51 ASP HA H 4.660 0.020 1 445 51 51 ASP HB2 H 2.922 0.020 2 446 51 51 ASP HB3 H 2.203 0.020 2 447 51 51 ASP C C 176.334 0.3 1 448 51 51 ASP CA C 52.672 0.3 1 449 51 51 ASP CB C 39.870 0.3 1 450 51 51 ASP N N 118.122 0.3 1 451 52 52 THR H H 7.941 0.020 1 452 52 52 THR HA H 4.253 0.020 1 453 52 52 THR HB H 3.554 0.020 1 454 52 52 THR HG2 H 1.300 0.020 1 455 52 52 THR C C 177.618 0.3 1 456 52 52 THR CA C 65.908 0.3 1 457 52 52 THR CB C 68.084 0.3 1 458 52 52 THR CG2 C 23.023 0.3 1 459 52 52 THR N N 117.140 0.3 1 460 53 53 ALA H H 8.454 0.020 1 461 53 53 ALA HA H 4.232 0.020 1 462 53 53 ALA HB H 1.470 0.020 1 463 53 53 ALA C C 181.551 0.3 1 464 53 53 ALA CA C 55.572 0.3 1 465 53 53 ALA CB C 18.057 0.3 1 466 53 53 ALA N N 125.643 0.3 1 467 54 54 VAL H H 7.309 0.020 1 468 54 54 VAL HA H 3.530 0.020 1 469 54 54 VAL HB H 1.628 0.020 1 470 54 54 VAL HG1 H 0.927 0.020 2 471 54 54 VAL HG2 H 0.753 0.020 2 472 54 54 VAL C C 177.933 0.3 1 473 54 54 VAL CA C 66.175 0.3 1 474 54 54 VAL CB C 31.924 0.3 1 475 54 54 VAL CG1 C 22.244 0.3 1 476 54 54 VAL CG2 C 23.099 0.3 1 477 54 54 VAL N N 119.972 0.3 1 478 55 55 LEU H H 7.652 0.020 1 479 55 55 LEU HA H 3.509 0.020 1 480 55 55 LEU HB2 H 1.649 0.020 1 481 55 55 LEU HB3 H 1.649 0.020 1 482 55 55 LEU HG H 1.489 0.020 1 483 55 55 LEU HD1 H 0.448 0.020 2 484 55 55 LEU HD2 H -0.083 0.020 2 485 55 55 LEU C C 178.200 0.3 1 486 55 55 LEU CA C 57.675 0.3 1 487 55 55 LEU CB C 41.464 0.3 1 488 55 55 LEU CG C 25.631 0.3 1 489 55 55 LEU CD1 C 27.354 0.3 1 490 55 55 LEU CD2 C 21.459 0.3 1 491 55 55 LEU N N 117.433 0.3 1 492 56 56 ASN H H 8.495 0.020 1 493 56 56 ASN HA H 4.254 0.020 1 494 56 56 ASN HB2 H 2.858 0.020 2 495 56 56 ASN HB3 H 2.725 0.020 2 496 56 56 ASN HD21 H 7.472 0.020 1 497 56 56 ASN HD22 H 7.169 0.020 1 498 56 56 ASN C C 177.626 0.3 1 499 56 56 ASN CA C 57.308 0.3 1 500 56 56 ASN CB C 38.994 0.3 1 501 56 56 ASN N N 116.776 0.3 1 502 56 56 ASN ND2 N 113.560 0.3 1 503 57 57 ARG H H 7.528 0.020 1 504 57 57 ARG HA H 4.083 0.020 1 505 57 57 ARG HB2 H 2.032 0.020 1 506 57 57 ARG HB3 H 2.032 0.020 1 507 57 57 ARG HG2 H 1.686 0.020 1 508 57 57 ARG HG3 H 1.686 0.020 1 509 57 57 ARG HD2 H 3.133 0.020 1 510 57 57 ARG HD3 H 3.133 0.020 1 511 57 57 ARG HE H 7.197 0.020 1 512 57 57 ARG C C 178.809 0.3 1 513 57 57 ARG CA C 59.912 0.3 1 514 57 57 ARG CB C 29.395 0.3 1 515 57 57 ARG CG C 26.994 0.3 1 516 57 57 ARG CD C 43.206 0.3 1 517 57 57 ARG N N 122.398 0.3 1 518 57 57 ARG NE N 84.429 0.3 1 519 58 58 ILE H H 8.431 0.020 1 520 58 58 ILE HA H 3.674 0.020 1 521 58 58 ILE HB H 1.683 0.020 1 522 58 58 ILE HG12 H 1.676 0.020 1 523 58 58 ILE HG13 H 1.676 0.020 1 524 58 58 ILE HG2 H 0.925 0.020 1 525 58 58 ILE HD1 H 0.458 0.020 1 526 58 58 ILE C C 176.359 0.3 1 527 58 58 ILE CA C 65.163 0.3 1 528 58 58 ILE CB C 38.640 0.3 1 529 58 58 ILE CG1 C 27.771 0.3 1 530 58 58 ILE CG2 C 18.230 0.3 1 531 58 58 ILE CD1 C 14.637 0.3 1 532 58 58 ILE N N 118.734 0.3 1 533 59 59 ALA H H 8.535 0.020 1 534 59 59 ALA HA H 3.778 0.020 1 535 59 59 ALA HB H 1.324 0.020 1 536 59 59 ALA C C 177.362 0.3 1 537 59 59 ALA CA C 55.538 0.3 1 538 59 59 ALA CB C 17.066 0.3 1 539 59 59 ALA N N 121.284 0.3 1 540 60 60 ASN H H 7.748 0.020 1 541 60 60 ASN HA H 4.052 0.020 1 542 60 60 ASN HB2 H 2.801 0.020 2 543 60 60 ASN HB3 H 2.523 0.020 2 544 60 60 ASN HD21 H 7.512 0.020 1 545 60 60 ASN HD22 H 7.114 0.020 1 546 60 60 ASN C C 178.619 0.3 1 547 60 60 ASN CA C 57.085 0.3 1 548 60 60 ASN CB C 39.359 0.3 1 549 60 60 ASN N N 113.595 0.3 1 550 60 60 ASN ND2 N 114.457 0.3 1 551 61 61 GLU H H 8.299 0.020 1 552 61 61 GLU HA H 3.973 0.020 1 553 61 61 GLU HB2 H 1.864 0.020 1 554 61 61 GLU HB3 H 1.864 0.020 1 555 61 61 GLU HG2 H 2.168 0.020 1 556 61 61 GLU HG3 H 2.168 0.020 1 557 61 61 GLU C C 179.638 0.3 1 558 61 61 GLU CA C 59.322 0.3 1 559 61 61 GLU CB C 29.562 0.3 1 560 61 61 GLU CG C 36.946 0.3 1 561 61 61 GLU CD C 183.838 0.3 1 562 61 61 GLU N N 120.615 0.3 1 563 62 62 ALA H H 7.896 0.020 1 564 62 62 ALA HA H 4.117 0.020 1 565 62 62 ALA HB H 1.388 0.020 1 566 62 62 ALA C C 177.971 0.3 1 567 62 62 ALA CA C 54.303 0.3 1 568 62 62 ALA CB C 18.145 0.3 1 569 62 62 ALA N N 122.540 0.3 1 570 63 63 LEU H H 7.145 0.020 1 571 63 63 LEU HA H 3.822 0.020 1 572 63 63 LEU HB2 H 1.645 0.020 1 573 63 63 LEU HB3 H 1.645 0.020 1 574 63 63 LEU HG H 1.461 0.020 1 575 63 63 LEU HD1 H 0.779 0.020 2 576 63 63 LEU HD2 H 0.618 0.020 2 577 63 63 LEU C C 177.171 0.3 1 578 63 63 LEU CA C 56.150 0.3 1 579 63 63 LEU CB C 41.431 0.3 1 580 63 63 LEU CG C 27.525 0.3 1 581 63 63 LEU CD1 C 24.404 0.3 1 582 63 63 LEU CD2 C 22.166 0.3 1 583 63 63 LEU N N 113.929 0.3 1 584 64 64 ASP H H 7.254 0.020 1 585 64 64 ASP HA H 4.495 0.020 1 586 64 64 ASP HB2 H 2.605 0.020 2 587 64 64 ASP HB3 H 2.682 0.020 2 588 64 64 ASP C C 177.438 0.3 1 589 64 64 ASP CA C 55.071 0.3 1 590 64 64 ASP CB C 40.824 0.3 1 591 64 64 ASP N N 115.765 0.3 1 592 65 65 GLN H H 7.708 0.020 1 593 65 65 GLN HA H 4.412 0.020 1 594 65 65 GLN HB2 H 2.093 0.020 2 595 65 65 GLN HB3 H 1.983 0.020 2 596 65 65 GLN HG2 H 2.401 0.020 2 597 65 65 GLN HG3 H 2.303 0.020 2 598 65 65 GLN HE21 H 7.709 0.020 1 599 65 65 GLN HE22 H 6.803 0.020 1 600 65 65 GLN C C 174.583 0.3 1 601 65 65 GLN CA C 53.922 0.3 1 602 65 65 GLN CB C 27.861 0.3 1 603 65 65 GLN CG C 33.701 0.3 1 604 65 65 GLN CD C 180.051 0.3 1 605 65 65 GLN N N 120.485 0.3 1 606 65 65 GLN NE2 N 112.429 0.3 1 607 66 66 PRO HA H 4.275 0.020 1 608 66 66 PRO HB2 H 2.192 0.020 1 609 66 66 PRO HB3 H 2.192 0.020 1 610 66 66 PRO HG2 H 1.939 0.020 1 611 66 66 PRO HG3 H 1.939 0.020 1 612 66 66 PRO HD2 H 3.660 0.020 1 613 66 66 PRO HD3 H 3.660 0.020 1 614 66 66 PRO C C 176.844 0.3 1 615 66 66 PRO CA C 63.643 0.3 1 616 66 66 PRO CB C 32.159 0.3 1 617 66 66 PRO CG C 27.430 0.3 1 618 67 67 ASP H H 8.395 0.020 1 619 67 67 ASP HA H 4.561 0.020 1 620 67 67 ASP HB2 H 2.640 0.020 2 621 67 67 ASP HB3 H 2.533 0.020 2 622 67 67 ASP C C 176.456 0.3 1 623 67 67 ASP CA C 53.804 0.3 1 624 67 67 ASP CB C 41.333 0.3 1 625 67 67 ASP N N 119.079 0.3 1 626 68 68 VAL H H 7.392 0.020 1 627 68 68 VAL HA H 3.822 0.020 1 628 68 68 VAL HB H 2.132 0.020 1 629 68 68 VAL HG1 H 0.764 0.020 1 630 68 68 VAL HG2 H 0.764 0.020 1 631 68 68 VAL C C 174.582 0.3 1 632 68 68 VAL CA C 64.264 0.3 1 633 68 68 VAL CB C 31.565 0.3 1 634 68 68 VAL CG1 C 23.252 0.3 1 635 68 68 VAL N N 120.659 0.3 1 636 69 69 ARG H H 9.128 0.020 1 637 69 69 ARG HA H 4.334 0.020 1 638 69 69 ARG HB2 H 1.709 0.020 1 639 69 69 ARG HB3 H 1.709 0.020 1 640 69 69 ARG HG2 H 1.436 0.020 1 641 69 69 ARG HG3 H 1.436 0.020 1 642 69 69 ARG HD2 H 2.860 0.020 1 643 69 69 ARG HD3 H 2.860 0.020 1 644 69 69 ARG CA C 56.623 0.3 1 645 69 69 ARG CB C 31.506 0.3 1 646 69 69 ARG CG C 26.447 0.3 1 647 69 69 ARG CD C 42.166 0.3 1 648 69 69 ARG N N 128.678 0.3 1 649 70 70 ALA H H 7.594 0.020 1 650 70 70 ALA HA H 4.674 0.020 1 651 70 70 ALA HB H 1.457 0.020 1 652 70 70 ALA C C 174.924 0.3 1 653 70 70 ALA CA C 52.176 0.3 1 654 70 70 ALA CB C 23.251 0.3 1 655 70 70 ALA N N 116.580 0.3 1 656 71 71 VAL H H 8.111 0.020 1 657 71 71 VAL HA H 4.565 0.020 1 658 71 71 VAL HB H 1.887 0.020 1 659 71 71 VAL HG1 H 0.568 0.020 2 660 71 71 VAL HG2 H 0.350 0.020 2 661 71 71 VAL C C 173.134 0.3 1 662 71 71 VAL CA C 60.781 0.3 1 663 71 71 VAL CB C 36.235 0.3 1 664 71 71 VAL CG1 C 21.135 0.3 1 665 71 71 VAL CG2 C 20.506 0.3 1 666 71 71 VAL N N 118.722 0.3 1 667 72 72 THR H H 9.049 0.020 1 668 72 72 THR HA H 5.109 0.020 1 669 72 72 THR HB H 3.855 0.020 1 670 72 72 THR HG2 H 1.367 0.020 1 671 72 72 THR C C 172.906 0.3 1 672 72 72 THR CA C 60.653 0.3 1 673 72 72 THR CB C 71.746 0.3 1 674 72 72 THR CG2 C 23.509 0.3 1 675 72 72 THR N N 122.471 0.3 1 676 73 73 PHE H H 8.813 0.020 1 677 73 73 PHE HA H 5.553 0.020 1 678 73 73 PHE HB2 H 2.976 0.020 2 679 73 73 PHE HB3 H 2.571 0.020 2 680 73 73 PHE HD1 H 6.970 0.020 1 681 73 73 PHE HD2 H 6.970 0.020 1 682 73 73 PHE HE1 H 7.039 0.020 1 683 73 73 PHE HE2 H 7.039 0.020 1 684 73 73 PHE HZ H 6.910 0.020 1 685 73 73 PHE C C 174.886 0.3 1 686 73 73 PHE CA C 57.275 0.3 1 687 73 73 PHE CB C 42.520 0.3 1 688 73 73 PHE CD1 C 133.427 0.3 1 689 73 73 PHE CD2 C 133.427 0.3 1 690 73 73 PHE CE1 C 133.389 0.3 1 691 73 73 PHE CE2 C 133.389 0.3 1 692 73 73 PHE CZ C 128.321 0.3 1 693 73 73 PHE N N 121.069 0.3 1 694 74 74 LEU H H 9.307 0.020 1 695 74 74 LEU HA H 5.317 0.020 1 696 74 74 LEU HB2 H 1.797 0.020 1 697 74 74 LEU HB3 H 1.797 0.020 1 698 74 74 LEU HG H 1.412 0.020 1 699 74 74 LEU HD1 H 0.626 0.020 2 700 74 74 LEU HD2 H 0.610 0.020 2 701 74 74 LEU C C 176.257 0.3 1 702 74 74 LEU CA C 52.293 0.3 1 703 74 74 LEU CB C 45.907 0.3 1 704 74 74 LEU CG C 27.406 0.3 1 705 74 74 LEU CD1 C 24.456 0.3 1 706 74 74 LEU CD2 C 24.085 0.3 1 707 74 74 LEU N N 123.118 0.3 1 708 75 75 ASP H H 8.952 0.020 1 709 75 75 ASP HA H 4.787 0.020 1 710 75 75 ASP HB2 H 2.582 0.020 1 711 75 75 ASP HB3 H 2.582 0.020 1 712 75 75 ASP C C 177.819 0.3 1 713 75 75 ASP CA C 52.632 0.3 1 714 75 75 ASP CB C 41.341 0.3 1 715 75 75 ASP N N 118.965 0.3 1 716 76 76 ALA H H 8.198 0.020 1 717 76 76 ALA HA H 4.220 0.020 1 718 76 76 ALA HB H 1.389 0.020 1 719 76 76 ALA C C 175.988 0.3 1 720 76 76 ALA CA C 56.200 0.3 1 721 76 76 ALA CB C 17.837 0.3 1 722 76 76 ALA N N 118.271 0.3 1 723 77 77 ARG H H 8.113 0.020 1 724 77 77 ARG HA H 4.409 0.020 1 725 77 77 ARG HB2 H 1.867 0.020 1 726 77 77 ARG HB3 H 1.867 0.020 1 727 77 77 ARG HG2 H 1.574 0.020 1 728 77 77 ARG HG3 H 1.574 0.020 1 729 77 77 ARG HD2 H 3.166 0.020 1 730 77 77 ARG HD3 H 3.166 0.020 1 731 77 77 ARG HE H 7.272 0.020 1 732 77 77 ARG C C 175.343 0.3 1 733 77 77 ARG CA C 55.507 0.3 1 734 77 77 ARG CB C 29.439 0.3 1 735 77 77 ARG CG C 27.147 0.3 1 736 77 77 ARG CD C 43.213 0.3 1 737 77 77 ARG N N 117.717 0.3 1 738 77 77 ARG NE N 84.564 0.3 1 739 78 78 GLN H H 8.354 0.020 1 740 78 78 GLN HA H 3.404 0.020 1 741 78 78 GLN HB2 H 1.729 0.020 1 742 78 78 GLN HB3 H 1.729 0.020 1 743 78 78 GLN HG2 H 2.111 0.020 1 744 78 78 GLN HG3 H 2.111 0.020 1 745 78 78 GLN HE21 H 6.030 0.020 1 746 78 78 GLN HE22 H 5.635 0.020 1 747 78 78 GLN C C 174.093 0.3 1 748 78 78 GLN CA C 58.416 0.3 1 749 78 78 GLN CB C 24.392 0.3 1 750 78 78 GLN CG C 34.382 0.3 1 751 78 78 GLN N N 111.580 0.3 1 752 78 78 GLN NE2 N 108.649 0.3 1 753 79 79 GLU H H 8.466 0.020 1 754 79 79 GLU HA H 4.377 0.020 1 755 79 79 GLU HB2 H 1.858 0.020 1 756 79 79 GLU HB3 H 1.858 0.020 1 757 79 79 GLU HG2 H 2.002 0.020 1 758 79 79 GLU HG3 H 2.002 0.020 1 759 79 79 GLU C C 177.174 0.3 1 760 79 79 GLU CA C 55.506 0.3 1 761 79 79 GLU CB C 29.897 0.3 1 762 79 79 GLU CG C 36.314 0.3 1 763 79 79 GLU CD C 183.837 0.3 1 764 79 79 GLU N N 119.814 0.3 1 765 80 80 ARG H H 8.763 0.020 1 766 80 80 ARG HA H 3.994 0.020 1 767 80 80 ARG HB2 H 1.659 0.020 1 768 80 80 ARG HB3 H 1.659 0.020 1 769 80 80 ARG HG2 H 1.539 0.020 1 770 80 80 ARG HG3 H 1.539 0.020 1 771 80 80 ARG HD2 H 3.053 0.020 1 772 80 80 ARG HD3 H 3.053 0.020 1 773 80 80 ARG HE H 7.441 0.020 1 774 80 80 ARG HH21 H 6.927 0.020 1 775 80 80 ARG HH22 H 6.927 0.020 1 776 80 80 ARG C C 176.638 0.3 1 777 80 80 ARG CA C 58.052 0.3 1 778 80 80 ARG CB C 30.723 0.3 1 779 80 80 ARG CG C 26.990 0.3 1 780 80 80 ARG CD C 43.252 0.3 1 781 80 80 ARG N N 123.681 0.3 1 782 80 80 ARG NE N 84.253 0.3 1 783 80 80 ARG NH2 N 71.510 0.3 1 784 81 81 LEU H H 9.128 0.020 1 785 81 81 LEU HA H 4.562 0.020 1 786 81 81 LEU HB2 H 1.453 0.020 1 787 81 81 LEU HB3 H 1.453 0.020 1 788 81 81 LEU HG H 1.714 0.020 1 789 81 81 LEU HD1 H 0.782 0.020 2 790 81 81 LEU HD2 H 0.607 0.020 2 791 81 81 LEU C C 176.482 0.3 1 792 81 81 LEU CA C 54.763 0.3 1 793 81 81 LEU CB C 45.539 0.3 1 794 81 81 LEU CG C 26.612 0.3 1 795 81 81 LEU CD1 C 25.326 0.3 1 796 81 81 LEU CD2 C 22.705 0.3 1 797 81 81 LEU N N 124.695 0.3 1 798 82 82 ALA H H 7.799 0.020 1 799 82 82 ALA HA H 4.681 0.020 1 800 82 82 ALA HB H 1.343 0.020 1 801 82 82 ALA C C 175.191 0.3 1 802 82 82 ALA CA C 51.991 0.3 1 803 82 82 ALA CB C 23.023 0.3 1 804 82 82 ALA N N 117.474 0.3 1 805 83 83 HIS H H 8.792 0.020 1 806 83 83 HIS HA H 5.408 0.020 1 807 83 83 HIS HB2 H 2.976 0.020 2 808 83 83 HIS HB3 H 2.866 0.020 2 809 83 83 HIS HD2 H 7.016 0.020 1 810 83 83 HIS HE1 H 8.050 0.020 1 811 83 83 HIS C C 172.144 0.3 1 812 83 83 HIS CA C 55.986 0.3 1 813 83 83 HIS CB C 33.975 0.3 1 814 83 83 HIS CD2 C 119.964 0.3 1 815 83 83 HIS CE1 C 137.154 0.3 1 816 83 83 HIS N N 119.408 0.3 1 817 84 84 ALA H H 8.593 0.020 1 818 84 84 ALA HA H 4.549 0.020 1 819 84 84 ALA HB H 1.116 0.020 1 820 84 84 ALA C C 174.848 0.3 1 821 84 84 ALA CA C 51.193 0.3 1 822 84 84 ALA CB C 21.550 0.3 1 823 84 84 ALA N N 128.793 0.3 1 824 85 85 GLY H H 8.287 0.020 1 825 85 85 GLY HA2 H 3.774 0.020 1 826 85 85 GLY HA3 H 3.774 0.020 1 827 85 85 GLY C C 173.300 0.3 1 828 85 85 GLY CA C 43.837 0.3 1 829 85 85 GLY N N 108.040 0.3 1 830 86 86 PRO HA H 4.197 0.020 1 831 86 86 PRO HB2 H 1.839 0.020 1 832 86 86 PRO HB3 H 1.839 0.020 1 833 86 86 PRO HG2 H 1.944 0.020 1 834 86 86 PRO HG3 H 1.944 0.020 1 835 86 86 PRO C C 175.610 0.3 1 836 86 86 PRO CA C 64.675 0.3 1 837 86 86 PRO CB C 31.928 0.3 1 838 86 86 PRO CG C 27.308 0.3 1 839 87 87 SER H H 8.294 0.020 1 840 87 87 SER HA H 4.465 0.020 1 841 87 87 SER HB2 H 3.854 0.020 1 842 87 87 SER HB3 H 3.854 0.020 1 843 87 87 SER HG H 5.279 0.020 1 844 87 87 SER C C 175.270 0.3 1 845 87 87 SER CA C 58.170 0.3 1 846 87 87 SER CB C 63.754 0.3 1 847 88 88 MET H H 8.369 0.020 1 848 88 88 MET HA H 4.272 0.020 1 849 88 88 MET HB2 H 1.971 0.020 1 850 88 88 MET HB3 H 1.971 0.020 1 851 88 88 MET HG2 H 2.701 0.020 1 852 88 88 MET HG3 H 2.701 0.020 1 853 88 88 MET HE H 1.941 0.020 1 854 88 88 MET C C 177.183 0.3 1 855 88 88 MET CA C 56.045 0.3 1 856 88 88 MET CB C 30.500 0.3 1 857 88 88 MET CG C 31.054 0.3 1 858 88 88 MET CE C 17.046 0.3 1 859 88 88 MET N N 121.930 0.3 1 860 89 89 LEU H H 8.429 0.020 1 861 89 89 LEU HA H 4.333 0.020 1 862 89 89 LEU HB2 H 1.497 0.020 1 863 89 89 LEU HB3 H 1.497 0.020 1 864 89 89 LEU HG H 1.517 0.020 1 865 89 89 LEU HD1 H 0.676 0.020 1 866 89 89 LEU HD2 H 0.676 0.020 1 867 89 89 LEU C C 176.644 0.3 1 868 89 89 LEU CA C 55.550 0.3 1 869 89 89 LEU CB C 41.592 0.3 1 870 89 89 LEU CG C 26.628 0.3 1 871 89 89 LEU CD1 C 24.872 0.3 1 872 89 89 LEU CD2 C 24.692 0.3 1 873 89 89 LEU N N 125.015 0.3 1 874 90 90 THR H H 7.569 0.020 1 875 90 90 THR HA H 4.320 0.020 1 876 90 90 THR HB H 4.024 0.020 1 877 90 90 THR HG2 H 0.753 0.020 1 878 90 90 THR C C 174.482 0.3 1 879 90 90 THR CA C 61.697 0.3 1 880 90 90 THR CB C 69.629 0.3 1 881 90 90 THR CG2 C 21.394 0.3 1 882 90 90 THR N N 119.627 0.3 1 883 91 91 VAL H H 8.229 0.020 1 884 91 91 VAL HA H 4.062 0.020 1 885 91 91 VAL HB H 1.791 0.020 1 886 91 91 VAL HG1 H 0.780 0.020 1 887 91 91 VAL HG2 H 0.780 0.020 1 888 91 91 VAL C C 173.133 0.3 1 889 91 91 VAL CA C 63.578 0.3 1 890 91 91 VAL CB C 35.661 0.3 1 891 91 91 VAL CG1 C 21.749 0.3 1 892 91 91 VAL CG2 C 21.233 0.3 1 893 91 91 VAL N N 112.308 0.3 1 894 92 92 ALA H H 8.291 0.020 1 895 92 92 ALA HA H 3.904 0.020 1 896 92 92 ALA HB H 1.062 0.020 1 897 92 92 ALA C C 175.270 0.3 1 898 92 92 ALA CA C 51.845 0.3 1 899 92 92 ALA CB C 19.022 0.3 1 900 92 92 ALA N N 127.594 0.3 1 901 93 93 PRO HA H 4.275 0.020 1 902 93 93 PRO HB2 H 2.202 0.020 1 903 93 93 PRO HB3 H 2.202 0.020 1 904 93 93 PRO HG2 H 1.885 0.020 1 905 93 93 PRO HG3 H 1.885 0.020 1 906 93 93 PRO HD2 H 3.650 0.020 1 907 93 93 PRO HD3 H 3.650 0.020 1 908 93 93 PRO C C 175.474 0.3 1 909 93 93 PRO CA C 62.711 0.3 1 910 93 93 PRO CB C 31.066 0.3 1 911 93 93 PRO CG C 27.320 0.3 1 912 93 93 PRO CD C 50.574 0.3 1 913 94 94 ALA H H 8.131 0.020 1 914 94 94 ALA HA H 3.994 0.020 1 915 94 94 ALA HB H 1.218 0.020 1 916 94 94 ALA C C 179.549 0.3 1 917 94 94 ALA CA C 55.240 0.3 1 918 94 94 ALA CB C 18.708 0.3 1 919 94 94 ALA N N 121.890 0.3 1 920 95 95 GLY H H 8.284 0.020 1 921 95 95 GLY HA2 H 3.782 0.020 2 922 95 95 GLY HA3 H 3.354 0.020 2 923 95 95 GLY C C 173.249 0.3 1 924 95 95 GLY CA C 45.559 0.3 1 925 95 95 GLY N N 109.462 0.3 1 926 96 96 ASP H H 8.118 0.020 1 927 96 96 ASP HA H 4.334 0.020 1 928 96 96 ASP HB2 H 2.556 0.020 1 929 96 96 ASP HB3 H 2.556 0.020 1 930 96 96 ASP C C 179.558 0.3 1 931 96 96 ASP CA C 54.864 0.3 1 932 96 96 ASP CB C 41.660 0.3 1 933 96 96 ASP N N 120.065 0.3 1 934 97 97 ALA H H 8.438 0.020 1 935 97 97 ALA HA H 4.084 0.020 1 936 97 97 ALA HB H 1.339 0.020 1 937 97 97 ALA C C 178.206 0.3 1 938 97 97 ALA CA C 53.623 0.3 1 939 97 97 ALA CB C 18.580 0.3 1 940 97 97 ALA N N 123.962 0.3 1 941 98 98 SER H H 8.263 0.020 1 942 98 98 SER HA H 4.192 0.020 1 943 98 98 SER HB2 H 3.699 0.020 1 944 98 98 SER HB3 H 3.699 0.020 1 945 98 98 SER C C 174.495 0.3 1 946 98 98 SER CA C 59.628 0.3 1 947 98 98 SER CB C 64.074 0.3 1 948 98 98 SER N N 114.419 0.3 1 949 99 99 HIS HA H 4.561 0.020 1 950 99 99 HIS HB2 H 2.249 0.020 1 951 99 99 HIS HB3 H 2.249 0.020 1 952 99 99 HIS HD2 H 7.079 0.020 1 953 99 99 HIS HE1 H 8.135 0.020 1 954 99 99 HIS C C 178.733 0.3 1 955 99 99 HIS CA C 63.018 0.3 1 956 99 99 HIS CB C 32.074 0.3 1 957 99 99 HIS CD2 C 120.939 0.3 1 958 99 99 HIS CE1 C 136.689 0.3 1 959 100 100 LEU H H 8.093 0.020 1 960 100 100 LEU HA H 4.220 0.020 1 961 100 100 LEU HB2 H 1.877 0.020 1 962 100 100 LEU HB3 H 1.877 0.020 1 963 100 100 LEU HG H 1.547 0.020 1 964 100 100 LEU HD1 H 0.780 0.020 1 965 100 100 LEU HD2 H 0.780 0.020 1 966 100 100 LEU C C 176.456 0.3 1 967 100 100 LEU CA C 53.928 0.3 1 968 100 100 LEU CB C 41.725 0.3 1 969 100 100 LEU CG C 26.537 0.3 1 970 100 100 LEU CD1 C 24.911 0.3 1 971 100 100 LEU CD2 C 22.924 0.3 1 972 100 100 LEU N N 120.614 0.3 1 973 101 101 SER H H 8.088 0.020 1 974 101 101 SER HA H 4.333 0.020 1 975 101 101 SER HB2 H 3.836 0.020 1 976 101 101 SER HB3 H 3.836 0.020 1 977 101 101 SER C C 177.732 0.3 1 978 101 101 SER CA C 58.857 0.3 1 979 101 101 SER CB C 63.850 0.3 1 980 101 101 SER N N 114.730 0.3 1 981 102 102 MET H H 6.750 0.020 1 982 102 102 MET HA H 4.152 0.020 1 983 102 102 MET HB2 H 1.975 0.020 1 984 102 102 MET HB3 H 1.975 0.020 1 985 102 102 MET HG2 H 2.211 0.020 1 986 102 102 MET HG3 H 2.211 0.020 1 987 102 102 MET HE H 1.812 0.020 1 988 102 102 MET CE C 16.789 0.3 1 989 103 103 SER H H 8.422 0.020 1 990 103 103 SER HA H 4.337 0.020 1 991 103 103 SER HB2 H 3.797 0.020 1 992 103 103 SER HB3 H 3.797 0.020 1 993 103 103 SER C C 175.441 0.3 1 994 103 103 SER CA C 58.959 0.3 1 995 103 103 SER CB C 64.338 0.3 1 996 103 103 SER N N 117.368 0.3 1 997 104 104 THR H H 8.099 0.020 1 998 104 104 THR HA H 4.281 0.020 1 999 104 104 THR HB H 3.829 0.020 1 1000 104 104 THR HG2 H 1.142 0.020 1 1001 104 104 THR C C 177.988 0.3 1 1002 104 104 THR CA C 61.921 0.3 1 1003 104 104 THR CB C 68.287 0.3 1 1004 104 104 THR CG2 C 21.581 0.3 1 1005 104 104 THR N N 114.875 0.3 1 1006 105 105 GLU H H 8.019 0.020 1 1007 105 105 GLU HA H 4.230 0.020 1 1008 105 105 GLU HB2 H 1.684 0.020 1 1009 105 105 GLU HB3 H 1.684 0.020 1 1010 105 105 GLU HG2 H 1.874 0.020 1 1011 105 105 GLU HG3 H 1.874 0.020 1 1012 105 105 GLU C C 174.675 0.3 1 1013 105 105 GLU CA C 54.595 0.3 1 1014 105 105 GLU CB C 29.571 0.3 1 1015 105 105 GLU CG C 37.411 0.3 1 1016 105 105 GLU CD C 183.508 0.3 1 1017 105 105 GLU N N 121.990 0.3 1 1018 106 106 LEU H H 8.554 0.020 1 1019 106 106 LEU HA H 4.026 0.020 1 1020 106 106 LEU HB2 H 1.755 0.020 1 1021 106 106 LEU HB3 H 1.755 0.020 1 1022 106 106 LEU HG H 1.559 0.020 1 1023 106 106 LEU HD1 H 0.707 0.020 1 1024 106 106 LEU HD2 H 0.707 0.020 1 1025 106 106 LEU C C 178.292 0.3 1 1026 106 106 LEU CA C 55.769 0.3 1 1027 106 106 LEU CB C 42.364 0.3 1 1028 106 106 LEU CG C 26.898 0.3 1 1029 106 106 LEU CD1 C 23.467 0.3 1 1030 106 106 LEU CD2 C 23.096 0.3 1 1031 106 106 LEU N N 124.179 0.3 1 1032 107 107 ASP H H 8.226 0.020 1 1033 107 107 ASP HA H 4.480 0.020 1 1034 107 107 ASP HB2 H 2.625 0.020 1 1035 107 107 ASP HB3 H 2.625 0.020 1 1036 107 107 ASP C C 176.300 0.3 1 1037 107 107 ASP CA C 54.326 0.3 1 1038 107 107 ASP CB C 41.472 0.3 1 1039 107 107 ASP N N 120.570 0.3 1 1040 108 108 THR H H 8.001 0.020 1 1041 108 108 THR HA H 4.714 0.020 1 1042 108 108 THR HB H 3.732 0.020 1 1043 108 108 THR HG2 H 0.991 0.020 1 1044 108 108 THR C C 173.738 0.3 1 1045 108 108 THR CA C 62.470 0.3 1 1046 108 108 THR CB C 71.381 0.3 1 1047 108 108 THR CG2 C 22.361 0.3 1 1048 108 108 THR N N 110.570 0.3 1 1049 109 109 THR H H 7.532 0.020 1 1050 109 109 THR HA H 4.843 0.020 1 1051 109 109 THR HB H 3.960 0.020 1 1052 109 109 THR HG2 H 0.985 0.020 1 1053 109 109 THR C C 176.046 0.3 1 1054 109 109 THR CA C 60.558 0.3 1 1055 109 109 THR CB C 71.749 0.3 1 1056 109 109 THR CG2 C 21.822 0.3 1 1057 109 109 THR N N 111.088 0.3 1 1058 110 110 HIS H H 8.662 0.020 1 1059 110 110 HIS HA H 3.725 0.020 1 1060 110 110 HIS HD2 H 6.848 0.020 1 1061 110 110 HIS HE1 H 7.567 0.020 1 1062 110 110 HIS C C 176.732 0.3 1 1063 110 110 HIS CA C 58.158 0.3 1 1064 110 110 HIS CB C 32.701 0.3 1 1065 110 110 HIS CG C 133.042 0.3 1 1066 110 110 HIS CD2 C 119.861 0.3 1 1067 110 110 HIS CE1 C 137.626 0.3 1 1068 110 110 HIS N N 118.123 0.3 1 1069 111 111 PHE H H 8.087 0.020 1 1070 111 111 PHE HA H 4.619 0.020 1 1071 111 111 PHE HB2 H 3.081 0.020 2 1072 111 111 PHE HB3 H 3.035 0.020 2 1073 111 111 PHE C C 175.921 0.3 1 1074 111 111 PHE CA C 56.201 0.3 1 1075 111 111 PHE CB C 38.888 0.3 1 1076 111 111 PHE N N 119.989 0.3 1 1077 112 112 LEU H H 8.102 0.020 1 1078 112 112 LEU HA H 4.310 0.020 1 1079 112 112 LEU HB2 H 1.560 0.020 1 1080 112 112 LEU HB3 H 1.560 0.020 1 1081 112 112 LEU HG H 1.498 0.020 1 1082 112 112 LEU HD1 H 0.826 0.020 2 1083 112 112 LEU HD2 H 0.742 0.020 2 1084 112 112 LEU C C 176.448 0.3 1 1085 112 112 LEU CA C 54.869 0.3 1 1086 112 112 LEU CB C 42.082 0.3 1 1087 112 112 LEU CG C 26.960 0.3 1 1088 112 112 LEU CD1 C 24.893 0.3 1 1089 112 112 LEU CD2 C 23.216 0.3 1 1090 112 112 LEU N N 120.206 0.3 1 1091 113 113 LEU H H 8.002 0.020 1 1092 113 113 LEU HA H 4.048 0.020 1 1093 113 113 LEU HB2 H 1.535 0.020 1 1094 113 113 LEU HB3 H 1.535 0.020 1 1095 113 113 LEU HG H 1.484 0.020 1 1096 113 113 LEU HD1 H 0.789 0.020 2 1097 113 113 LEU HD2 H 0.733 0.020 2 1098 113 113 LEU C C 178.300 0.3 1 1099 113 113 LEU CA C 54.161 0.3 1 1100 113 113 LEU CB C 41.790 0.3 1 1101 113 113 LEU CG C 26.647 0.3 1 1102 113 113 LEU CD1 C 23.470 0.3 1 1103 113 113 LEU CD2 C 23.600 0.3 1 1104 113 113 LEU N N 120.362 0.3 1 1105 114 114 PRO HA H 4.279 0.020 1 1106 114 114 PRO HB2 H 2.240 0.020 1 1107 114 114 PRO HB3 H 2.240 0.020 1 1108 114 114 PRO HG2 H 1.712 0.020 1 1109 114 114 PRO HG3 H 1.712 0.020 1 1110 114 114 PRO C C 177.157 0.3 1 1111 114 114 PRO CA C 62.576 0.3 1 1112 114 114 PRO CB C 31.833 0.3 1 1113 114 114 PRO CG C 27.086 0.3 1 1114 115 115 VAL H H 8.307 0.020 1 1115 115 115 VAL HA H 4.218 0.020 1 1116 115 115 VAL HB H 1.896 0.020 1 1117 115 115 VAL HG1 H 0.625 0.020 1 1118 115 115 VAL HG2 H 0.625 0.020 1 1119 115 115 VAL C C 175.352 0.3 1 1120 115 115 VAL CA C 62.096 0.3 1 1121 115 115 VAL CB C 31.787 0.3 1 1122 115 115 VAL N N 121.892 0.3 1 1123 116 116 LEU H H 8.500 0.020 1 1124 116 116 LEU HA H 5.105 0.020 1 1125 116 116 LEU HB2 H 1.441 0.020 1 1126 116 116 LEU HB3 H 1.441 0.020 1 1127 116 116 LEU HG H 1.441 0.020 1 1128 116 116 LEU HD1 H 0.628 0.020 1 1129 116 116 LEU HD2 H 0.628 0.020 1 1130 116 116 LEU C C 180.293 0.3 1 1131 116 116 LEU CA C 53.597 0.3 1 1132 116 116 LEU CB C 46.989 0.3 1 1133 116 116 LEU CG C 26.718 0.3 1 1134 116 116 LEU CD1 C 25.790 0.3 1 1135 116 116 LEU CD2 C 25.454 0.3 1 1136 117 117 GLY H H 8.699 0.020 1 1137 117 117 GLY HA2 H 3.829 0.020 2 1138 117 117 GLY HA3 H 3.905 0.020 2 1139 117 117 GLY C C 174.550 0.3 1 1140 117 117 GLY CA C 46.980 0.3 1 1141 117 117 GLY N N 108.016 0.3 1 1142 118 118 ARG H H 8.337 0.020 1 1143 118 118 ARG HA H 4.284 0.020 1 1144 118 118 ARG HB2 H 1.989 0.020 1 1145 118 118 ARG HB3 H 1.989 0.020 1 1146 118 118 ARG HG2 H 1.155 0.020 1 1147 118 118 ARG HG3 H 1.155 0.020 1 1148 118 118 ARG HD2 H 2.988 0.020 1 1149 118 118 ARG HD3 H 2.988 0.020 1 1150 118 118 ARG HE H 7.201 0.020 1 1151 118 118 ARG C C 174.560 0.3 1 1152 118 118 ARG CA C 57.029 0.3 1 1153 118 118 ARG CB C 30.065 0.3 1 1154 118 118 ARG N N 118.222 0.3 1 1155 119 119 HIS H H 8.294 0.020 1 1156 119 119 HIS HA H 4.563 0.020 1 1157 119 119 HIS HB2 H 3.679 0.020 1 1158 119 119 HIS HB3 H 3.679 0.020 1 1159 119 119 HIS N N 113.873 0.3 1 1160 120 120 HIS H H 8.273 0.020 1 1161 120 120 HIS HA H 4.564 0.020 1 1162 120 120 HIS HB2 H 3.448 0.020 1 1163 120 120 HIS HB3 H 3.448 0.020 1 1164 120 120 HIS C C 177.105 0.3 1 1165 120 120 HIS CA C 56.299 0.3 1 1166 120 120 HIS CB C 36.061 0.3 1 1167 120 120 HIS N N 113.873 0.3 1 1168 121 121 SER H H 8.183 0.020 1 1169 121 121 SER HA H 4.117 0.020 1 1170 121 121 SER HB2 H 3.708 0.020 2 1171 121 121 SER HB3 H 3.663 0.020 2 1172 121 121 SER C C 178.144 0.3 1 1173 121 121 SER CA C 60.107 0.3 1 1174 121 121 SER CB C 63.328 0.3 1 1175 121 121 SER N N 116.272 0.3 1 1176 122 122 LEU H H 8.282 0.020 1 1177 122 122 LEU HA H 4.252 0.020 1 1178 122 122 LEU HB2 H 1.622 0.020 1 1179 122 122 LEU HB3 H 1.622 0.020 1 1180 122 122 LEU HG H 1.530 0.020 1 1181 122 122 LEU HD1 H 0.823 0.020 1 1182 122 122 LEU HD2 H 0.823 0.020 1 1183 122 122 LEU C C 177.829 0.3 1 1184 122 122 LEU CA C 55.976 0.3 1 1185 122 122 LEU CB C 41.822 0.3 1 1186 122 122 LEU CG C 27.092 0.3 1 1187 122 122 LEU CD1 C 25.260 0.3 1 1188 122 122 LEU CD2 C 25.061 0.3 1 1189 122 122 LEU N N 124.230 0.3 1 1190 123 123 SER H H 8.096 0.020 1 1191 123 123 SER HA H 4.341 0.020 1 1192 123 123 SER HB2 H 3.907 0.020 1 1193 123 123 SER HB3 H 3.907 0.020 1 1194 123 123 SER C C 175.153 0.3 1 1195 123 123 SER CA C 58.797 0.3 1 1196 123 123 SER CB C 63.215 0.3 1 1197 123 123 SER N N 114.403 0.3 1 1198 124 124 GLY H H 8.226 0.020 1 1199 124 124 GLY HA2 H 4.022 0.020 2 1200 124 124 GLY HA3 H 3.732 0.020 2 1201 124 124 GLY C C 173.782 0.3 1 1202 124 124 GLY CA C 45.332 0.3 1 1203 124 124 GLY N N 110.746 0.3 1 1204 125 125 ALA H H 7.783 0.020 1 1205 125 125 ALA HA H 4.260 0.020 1 1206 125 125 ALA HB H 1.139 0.020 1 1207 125 125 ALA C C 177.628 0.3 1 1208 125 125 ALA CA C 52.216 0.3 1 1209 125 125 ALA CB C 19.335 0.3 1 1210 125 125 ALA N N 123.246 0.3 1 1211 126 126 THR H H 8.157 0.020 1 1212 126 126 THR HA H 4.184 0.020 1 1213 126 126 THR HB H 4.079 0.020 1 1214 126 126 THR HG2 H 1.070 0.020 1 1215 126 126 THR C C 174.391 0.3 1 1216 126 126 THR CA C 62.074 0.3 1 1217 126 126 THR CB C 69.632 0.3 1 1218 126 126 THR CG2 C 21.432 0.3 1 1219 126 126 THR N N 113.657 0.3 1 1220 127 127 GLU H H 8.282 0.020 1 1221 127 127 GLU HA H 4.583 0.020 1 1222 127 127 GLU HB2 H 1.742 0.020 1 1223 127 127 GLU HB3 H 1.742 0.020 1 1224 127 127 GLU HG2 H 2.156 0.020 1 1225 127 127 GLU HG3 H 2.156 0.020 1 1226 127 127 GLU C C 174.453 0.3 1 1227 127 127 GLU CA C 53.956 0.3 1 1228 127 127 GLU CB C 29.966 0.3 1 1229 127 127 GLU CG C 35.702 0.3 1 1230 127 127 GLU CD C 183.727 0.3 1 1231 127 127 GLU N N 124.844 0.3 1 1232 128 128 PRO HA H 4.176 0.020 1 1233 128 128 PRO HB2 H 2.159 0.020 1 1234 128 128 PRO HB3 H 2.159 0.020 1 1235 128 128 PRO HG2 H 1.801 0.020 1 1236 128 128 PRO HG3 H 1.801 0.020 1 1237 128 128 PRO C C 177.038 0.3 1 1238 128 128 PRO CA C 64.616 0.3 1 1239 128 128 PRO CB C 31.904 0.3 1 1240 128 128 PRO CG C 27.347 0.3 1 1241 129 129 ASP H H 8.568 0.020 1 1242 129 129 ASP HA H 4.360 0.020 1 1243 129 129 ASP HB2 H 2.911 0.020 1 1244 129 129 ASP HB3 H 2.911 0.020 1 1245 129 129 ASP C C 178.175 0.3 1 1246 129 129 ASP CA C 56.236 0.3 1 1247 129 129 ASP CB C 40.495 0.3 1 1248 129 129 ASP N N 114.399 0.3 1 1249 130 130 ASP H H 8.553 0.020 1 1250 130 130 ASP HA H 4.360 0.020 1 1251 130 130 ASP HB2 H 2.911 0.020 1 1252 130 130 ASP HB3 H 2.911 0.020 1 1253 130 130 ASP C C 178.820 0.3 1 1254 130 130 ASP CA C 56.449 0.3 1 1255 130 130 ASP CB C 40.670 0.3 1 1256 130 130 ASP N N 114.103 0.3 1 1257 131 131 GLU H H 7.591 0.020 1 1258 131 131 GLU HA H 3.996 0.020 1 1259 131 131 GLU HB2 H 1.884 0.020 1 1260 131 131 GLU HB3 H 1.884 0.020 1 1261 131 131 GLU HG2 H 1.929 0.020 1 1262 131 131 GLU HG3 H 1.929 0.020 1 1263 131 131 GLU C C 175.906 0.3 1 1264 131 131 GLU CA C 57.465 0.3 1 1265 131 131 GLU CB C 29.579 0.3 1 1266 131 131 GLU CG C 36.600 0.3 1 1267 131 131 GLU CD C 183.672 0.3 1 1268 131 131 GLU N N 120.047 0.3 1 1269 132 132 ARG H H 7.786 0.020 1 1270 132 132 ARG HA H 4.231 0.020 1 1271 132 132 ARG HB2 H 1.663 0.020 1 1272 132 132 ARG HB3 H 1.663 0.020 1 1273 132 132 ARG HG2 H 1.440 0.020 1 1274 132 132 ARG HG3 H 1.440 0.020 1 1275 132 132 ARG HD2 H 3.068 0.020 1 1276 132 132 ARG HD3 H 3.068 0.020 1 1277 132 132 ARG HE H 7.294 0.020 1 1278 132 132 ARG C C 177.927 0.3 1 1279 132 132 ARG CA C 56.196 0.3 1 1280 132 132 ARG CB C 31.324 0.3 1 1281 132 132 ARG CG C 26.944 0.3 1 1282 132 132 ARG CD C 42.580 0.3 1 1283 132 132 ARG N N 120.006 0.3 1 1284 132 132 ARG NE N 83.725 0.3 1 1285 133 133 VAL H H 8.269 0.020 1 1286 133 133 VAL HA H 3.849 0.020 1 1287 133 133 VAL HB H 1.894 0.020 1 1288 133 133 VAL HG1 H 0.741 0.020 2 1289 133 133 VAL HG2 H 0.414 0.020 2 1290 133 133 VAL C C 177.666 0.3 1 1291 133 133 VAL CA C 63.324 0.3 1 1292 133 133 VAL CB C 32.093 0.3 1 1293 133 133 VAL CG1 C 21.191 0.3 1 1294 133 133 VAL CG2 C 20.823 0.3 1 1295 133 133 VAL N N 122.477 0.3 1 1296 134 134 LEU H H 9.289 0.020 1 1297 134 134 LEU HA H 4.205 0.020 1 1298 134 134 LEU HB2 H 1.260 0.020 1 1299 134 134 LEU HB3 H 1.260 0.020 1 1300 134 134 LEU HG H 1.450 0.020 1 1301 134 134 LEU HD1 H 0.634 0.020 2 1302 134 134 LEU HD2 H 0.604 0.020 2 1303 134 134 LEU C C 176.454 0.3 1 1304 134 134 LEU CA C 55.365 0.3 1 1305 134 134 LEU CB C 43.644 0.3 1 1306 134 134 LEU CG C 27.070 0.3 1 1307 134 134 LEU CD1 C 25.571 0.3 1 1308 134 134 LEU CD2 C 23.288 0.3 1 1309 134 134 LEU N N 127.563 0.3 1 1310 135 135 GLY H H 7.386 0.020 1 1311 135 135 GLY HA2 H 4.446 0.020 2 1312 135 135 GLY HA3 H 3.308 0.020 2 1313 135 135 GLY C C 169.675 0.3 1 1314 135 135 GLY CA C 44.905 0.3 1 1315 135 135 GLY N N 103.677 0.3 1 1316 136 136 TRP H H 9.029 0.020 1 1317 136 136 TRP HA H 5.300 0.020 1 1318 136 136 TRP HB2 H 3.114 0.020 2 1319 136 136 TRP HB3 H 2.664 0.020 2 1320 136 136 TRP HD1 H 7.131 0.020 1 1321 136 136 TRP HE1 H 9.891 0.020 1 1322 136 136 TRP HE3 H 7.361 0.020 1 1323 136 136 TRP HZ2 H 7.269 0.020 1 1324 136 136 TRP HZ3 H 6.887 0.020 1 1325 136 136 TRP HH2 H 7.110 0.020 1 1326 136 136 TRP C C 174.863 0.3 1 1327 136 136 TRP CA C 56.435 0.3 1 1328 136 136 TRP CB C 33.526 0.3 1 1329 136 136 TRP CD1 C 126.804 0.3 1 1330 136 136 TRP CE3 C 120.722 0.3 1 1331 136 136 TRP CZ2 C 114.484 0.3 1 1332 136 136 TRP CZ3 C 119.619 0.3 1 1333 136 136 TRP CH2 C 124.530 0.3 1 1334 136 136 TRP N N 117.173 0.3 1 1335 136 136 TRP NE1 N 129.331 0.3 1 1336 137 137 VAL H H 9.471 0.020 1 1337 137 137 VAL HA H 4.517 0.020 1 1338 137 137 VAL HB H 1.919 0.020 1 1339 137 137 VAL HG1 H 0.670 0.020 2 1340 137 137 VAL HG2 H 0.753 0.020 2 1341 137 137 VAL C C 173.096 0.3 1 1342 137 137 VAL CA C 60.734 0.3 1 1343 137 137 VAL CB C 34.848 0.3 1 1344 137 137 VAL CG1 C 22.053 0.3 1 1345 137 137 VAL N N 120.886 0.3 1 1346 138 138 GLU H H 9.035 0.020 1 1347 138 138 GLU HA H 5.431 0.020 1 1348 138 138 GLU HB2 H 1.775 0.020 1 1349 138 138 GLU HB3 H 1.775 0.020 1 1350 138 138 GLU HG2 H 2.054 0.020 1 1351 138 138 GLU HG3 H 2.054 0.020 1 1352 138 138 GLU C C 174.886 0.3 1 1353 138 138 GLU CA C 53.622 0.3 1 1354 138 138 GLU CB C 33.227 0.3 1 1355 138 138 GLU CG C 36.434 0.3 1 1356 138 138 GLU CD C 183.904 0.3 1 1357 138 138 GLU N N 128.336 0.3 1 1358 139 139 LEU H H 9.014 0.020 1 1359 139 139 LEU HA H 5.316 0.020 1 1360 139 139 LEU HB2 H 1.622 0.020 1 1361 139 139 LEU HB3 H 1.622 0.020 1 1362 139 139 LEU HG H 1.439 0.020 1 1363 139 139 LEU HD1 H 0.665 0.020 2 1364 139 139 LEU HD2 H 0.394 0.020 2 1365 139 139 LEU C C 175.762 0.3 1 1366 139 139 LEU CA C 53.921 0.3 1 1367 139 139 LEU CB C 40.901 0.3 1 1368 139 139 LEU CG C 27.712 0.3 1 1369 139 139 LEU CD1 C 25.543 0.3 1 1370 139 139 LEU CD2 C 24.279 0.3 1 1371 139 139 LEU N N 127.917 0.3 1 1372 140 140 GLU H H 9.408 0.020 1 1373 140 140 GLU HA H 5.219 0.020 1 1374 140 140 GLU HB2 H 1.786 0.020 1 1375 140 140 GLU HB3 H 1.786 0.020 1 1376 140 140 GLU HG2 H 2.742 0.020 1 1377 140 140 GLU HG3 H 2.742 0.020 1 1378 140 140 GLU C C 179.138 0.3 1 1379 140 140 GLU CA C 55.429 0.3 1 1380 140 140 GLU CB C 30.241 0.3 1 1381 140 140 GLU CG C 32.951 0.3 1 1382 140 140 GLU N N 127.694 0.3 1 1383 141 141 LEU H H 9.248 0.020 1 1384 141 141 LEU HA H 5.314 0.020 1 1385 141 141 LEU HB2 H 1.709 0.020 1 1386 141 141 LEU HB3 H 1.709 0.020 1 1387 141 141 LEU HG H 1.570 0.020 1 1388 141 141 LEU HD1 H 0.609 0.020 2 1389 141 141 LEU HD2 H 0.656 0.020 2 1390 141 141 LEU C C 176.143 0.3 1 1391 141 141 LEU CA C 54.506 0.3 1 1392 141 141 LEU CB C 45.572 0.3 1 1393 141 141 LEU CG C 27.518 0.3 1 1394 141 141 LEU CD1 C 25.160 0.3 1 1395 141 141 LEU CD2 C 24.181 0.3 1 1396 141 141 LEU N N 126.989 0.3 1 1397 142 142 SER H H 8.882 0.020 1 1398 142 142 SER HA H 4.635 0.020 1 1399 142 142 SER HB2 H 3.664 0.020 2 1400 142 142 SER HB3 H 3.589 0.020 2 1401 142 142 SER C C 173.363 0.3 1 1402 142 142 SER CA C 60.328 0.3 1 1403 142 142 SER CB C 65.048 0.3 1 1404 142 142 SER N N 115.768 0.3 1 1405 143 143 HIS H H 8.690 0.020 1 1406 143 143 HIS HA H 4.272 0.020 1 1407 143 143 HIS HB2 H 2.479 0.020 2 1408 143 143 HIS HB3 H 2.368 0.020 2 1409 143 143 HIS HD2 H 7.031 0.020 1 1410 143 143 HIS HE1 H 8.154 0.020 1 1411 143 143 HIS C C 176.752 0.3 1 1412 143 143 HIS CA C 56.433 0.3 1 1413 143 143 HIS CB C 31.979 0.3 1 1414 143 143 HIS CD2 C 119.826 0.3 1 1415 143 143 HIS CE1 C 136.689 0.3 1 1416 143 143 HIS N N 123.276 0.3 1 1417 144 144 HIS H H 8.447 0.020 1 1418 144 144 HIS HA H 4.611 0.020 1 1419 144 144 HIS HB2 H 2.914 0.020 1 1420 144 144 HIS HB3 H 2.914 0.020 1 1421 144 144 HIS HD2 H 6.934 0.020 1 1422 144 144 HIS HE1 H 7.883 0.020 1 1423 144 144 HIS C C 175.447 0.3 1 1424 144 144 HIS CA C 55.684 0.3 1 1425 144 144 HIS CB C 30.230 0.3 1 1426 144 144 HIS CD2 C 119.826 0.3 1 1427 144 144 HIS CE1 C 137.591 0.3 1 1428 144 144 HIS N N 117.606 0.3 1 1429 145 145 GLY H H 8.622 0.020 1 1430 145 145 GLY HA2 H 3.901 0.020 1 1431 145 145 GLY HA3 H 3.901 0.020 1 1432 145 145 GLY C C 178.039 0.3 1 1433 145 145 GLY CA C 45.365 0.3 1 1434 145 145 GLY N N 110.408 0.3 1 1435 146 146 THR H H 8.075 0.020 1 1436 146 146 THR HA H 4.236 0.020 1 1437 146 146 THR HB H 4.118 0.020 1 1438 146 146 THR HG2 H 1.130 0.020 1 1439 146 146 THR C C 174.554 0.3 1 1440 146 146 THR CA C 61.744 0.3 1 1441 146 146 THR CB C 69.668 0.3 1 1442 146 146 THR N N 114.183 0.3 1 1443 147 147 LEU H H 8.206 0.020 1 1444 147 147 LEU HA H 4.269 0.020 1 1445 147 147 LEU HB2 H 1.575 0.020 1 1446 147 147 LEU HB3 H 1.575 0.020 1 1447 147 147 LEU HG H 1.503 0.020 1 1448 147 147 LEU HD1 H 0.744 0.020 1 1449 147 147 LEU HD2 H 0.744 0.020 1 1450 147 147 LEU C C 177.020 0.3 1 1451 147 147 LEU CA C 55.236 0.3 1 1452 147 147 LEU CB C 42.465 0.3 1 1453 147 147 LEU N N 124.116 0.3 1 1454 148 148 LEU H H 8.199 0.020 1 1455 148 148 LEU HA H 4.237 0.020 1 1456 148 148 LEU HB2 H 1.570 0.020 1 1457 148 148 LEU HB3 H 1.570 0.020 1 1458 148 148 LEU HG H 1.504 0.020 1 1459 148 148 LEU HD1 H 0.735 0.020 1 1460 148 148 LEU HD2 H 0.735 0.020 1 1461 148 148 LEU C C 177.002 0.3 1 1462 148 148 LEU CA C 55.314 0.3 1 1463 148 148 LEU CB C 42.440 0.3 1 1464 148 148 LEU CG C 26.430 0.3 1 1465 148 148 LEU N N 123.938 0.3 1 1466 149 149 ARG H H 8.105 0.020 1 1467 149 149 ARG HA H 4.278 0.020 1 1468 149 149 ARG HB2 H 1.815 0.020 1 1469 149 149 ARG HB3 H 1.815 0.020 1 1470 149 149 ARG HG2 H 1.534 0.020 1 1471 149 149 ARG HG3 H 1.534 0.020 1 1472 149 149 ARG HD2 H 3.035 0.020 1 1473 149 149 ARG HD3 H 3.035 0.020 1 1474 149 149 ARG HE H 7.229 0.020 1 1475 149 149 ARG HH11 H 7.072 0.020 1 1476 149 149 ARG HH12 H 7.072 0.020 1 1477 149 149 ARG C C 175.661 0.3 1 1478 149 149 ARG CA C 55.978 0.3 1 1479 149 149 ARG CB C 30.081 0.3 1 1480 149 149 ARG CG C 27.200 0.3 1 1481 149 149 ARG N N 122.533 0.3 1 1482 149 149 ARG NE N 83.896 0.3 1 1483 150 150 GLY H H 7.910 0.020 1 1484 150 150 GLY HA2 H 3.629 0.020 1 1485 150 150 GLY HA3 H 3.629 0.020 1 1486 150 150 GLY C C 176.242 0.3 1 1487 150 150 GLY CA C 46.209 0.3 1 1488 150 150 GLY N N 116.053 0.3 1 stop_ save_