data_18624 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of N-terminal domain of a plant Grx ; _BMRB_accession_number 18624 _BMRB_flat_file_name bmr18624.str _Entry_type original _Submission_date 2012-07-28 _Accession_date 2012-07-28 _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 Feng Yingang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 625 "13C chemical shifts" 483 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-05-20 original author . stop_ _Original_release_date 2013-05-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of N-terminal domain of a plant glutaredoxin' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Xi . . 2 Liu Shi-an . . 3 Feng Yingang . . 4 Liu Jian-zhong . . 5 Avery Cheryl . . 6 Deng Haiteng . . 7 Hirschi Kendal D. . 8 Wang Xinquan . . 9 Cheng Ninghui . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-terminal domain of a plant Grx' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N-terminal domain of a plant Grx' $Nterm_Grx 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_Nterm_Grx _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'N-terminal domain of a plant Grx' _Molecular_mass 12907.769 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; MASAVKSLTETELLPITEAD SIPSASGVYAVYDKSDELQF VGISRNIAASVSAHLKSVPE LCGSVKVGIVEEPDKAVLTQ AWKLWIEEHIKVTGKVPPGN KSGNNTFVKVTLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 62 MET 2 63 ALA 3 64 SER 4 65 ALA 5 66 VAL 6 67 LYS 7 68 SER 8 69 LEU 9 70 THR 10 71 GLU 11 72 THR 12 73 GLU 13 74 LEU 14 75 LEU 15 76 PRO 16 77 ILE 17 78 THR 18 79 GLU 19 80 ALA 20 81 ASP 21 82 SER 22 83 ILE 23 84 PRO 24 85 SER 25 86 ALA 26 87 SER 27 88 GLY 28 89 VAL 29 90 TYR 30 91 ALA 31 92 VAL 32 93 TYR 33 94 ASP 34 95 LYS 35 96 SER 36 97 ASP 37 98 GLU 38 99 LEU 39 100 GLN 40 101 PHE 41 102 VAL 42 103 GLY 43 104 ILE 44 105 SER 45 106 ARG 46 107 ASN 47 108 ILE 48 109 ALA 49 110 ALA 50 111 SER 51 112 VAL 52 113 SER 53 114 ALA 54 115 HIS 55 116 LEU 56 117 LYS 57 118 SER 58 119 VAL 59 120 PRO 60 121 GLU 61 122 LEU 62 123 CYS 63 124 GLY 64 125 SER 65 126 VAL 66 127 LYS 67 128 VAL 68 129 GLY 69 130 ILE 70 131 VAL 71 132 GLU 72 133 GLU 73 134 PRO 74 135 ASP 75 136 LYS 76 137 ALA 77 138 VAL 78 139 LEU 79 140 THR 80 141 GLN 81 142 ALA 82 143 TRP 83 144 LYS 84 145 LEU 85 146 TRP 86 147 ILE 87 148 GLU 88 149 GLU 89 150 HIS 90 151 ILE 91 152 LYS 92 153 VAL 93 154 THR 94 155 GLY 95 156 LYS 96 157 VAL 97 158 PRO 98 159 PRO 99 160 GLY 100 161 ASN 101 162 LYS 102 163 SER 103 164 GLY 104 165 ASN 105 166 ASN 106 167 THR 107 168 PHE 108 169 VAL 109 170 LYS 110 171 VAL 111 172 THR 112 173 LEU 113 174 GLU 114 175 HIS 115 176 HIS 116 177 HIS 117 178 HIS 118 179 HIS 119 180 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 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 2LWF "Structure Of N-terminal Domain Of A Plant Grx" 100.00 119 100.00 100.00 3.31e-79 DBJ BAC42106 "unknown protein [Arabidopsis thaliana]" 93.28 293 98.20 99.10 7.86e-69 GB AAC27175 "expressed protein [Arabidopsis thaliana]" 93.28 293 98.20 99.10 7.86e-69 GB AAM64346 "unknown [Arabidopsis thaliana]" 93.28 293 98.20 99.10 6.98e-69 GB AAN60257 "unknown [Arabidopsis thaliana]" 93.28 293 98.20 99.10 8.95e-69 GB AAO19648 "CAXIP1-like protein [Arabidopsis thaliana]" 93.28 293 98.20 99.10 7.86e-69 GB AAO50507 "unknown protein [Arabidopsis thaliana]" 93.28 293 98.20 99.10 7.86e-69 REF NP_565885 "CAX-interacting protein 2/monothiol glutaredoxin [Arabidopsis thaliana]" 93.28 293 98.20 99.10 7.86e-69 SP Q8H7F6 "RecName: Full=Bifunctional monothiol glutaredoxin-S16, chloroplastic; Short=AtGrxS16; AltName: Full=Atypical GIY-YIG endonuclea" 93.28 293 98.20 99.10 7.86e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nterm_Grx 'thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $Nterm_Grx 'recombinant technology' . Escherichia coli BL21(DE3) pET22b 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 $Nterm_Grx 0.5-1.0 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 0.02 % 'natural abundance' D2O 0.1 v/v [U-2H] H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D CCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'N-terminal domain of a plant Grx' _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 64 3 SER HA H 4.5200 0.02 1 2 64 3 SER HB2 H 3.8840 0.02 2 3 64 3 SER HB3 H 3.8840 0.02 2 4 64 3 SER C C 174.0600 0.3 1 5 64 3 SER CA C 58.2690 0.3 1 6 64 3 SER CB C 64.1290 0.3 1 7 65 4 ALA H H 8.6000 0.02 1 8 65 4 ALA HA H 4.4100 0.02 1 9 65 4 ALA HB H 1.4000 0.02 1 10 65 4 ALA C C 177.3480 0.3 1 11 65 4 ALA CA C 52.5850 0.3 1 12 65 4 ALA CB C 19.7270 0.3 1 13 65 4 ALA N N 126.6120 0.2 1 14 66 5 VAL H H 7.9350 0.02 1 15 66 5 VAL HA H 4.1710 0.02 1 16 66 5 VAL HB H 1.9640 0.02 1 17 66 5 VAL HG1 H 0.7670 0.02 2 18 66 5 VAL HG2 H 0.7670 0.02 2 19 66 5 VAL C C 175.8400 0.3 1 20 66 5 VAL CA C 61.5300 0.3 1 21 66 5 VAL CB C 33.2620 0.3 1 22 66 5 VAL CG1 C 21.0790 0.3 2 23 66 5 VAL CG2 C 21.0790 0.3 2 24 66 5 VAL N N 118.4250 0.2 1 25 67 6 LYS H H 8.6480 0.02 1 26 67 6 LYS HA H 4.3550 0.02 1 27 67 6 LYS HB2 H 1.8640 0.02 2 28 67 6 LYS HB3 H 1.8640 0.02 2 29 67 6 LYS HG2 H 1.6650 0.02 2 30 67 6 LYS HG3 H 1.6650 0.02 2 31 67 6 LYS HD2 H 1.7510 0.02 2 32 67 6 LYS HD3 H 1.7510 0.02 2 33 67 6 LYS HE2 H 2.9630 0.02 2 34 67 6 LYS HE3 H 2.9630 0.02 2 35 67 6 LYS C C 175.5700 0.3 1 36 67 6 LYS CA C 56.3100 0.3 1 37 67 6 LYS CB C 33.7410 0.3 1 38 67 6 LYS CG C 24.9920 0.3 1 39 67 6 LYS CD C 29.2470 0.3 1 40 67 6 LYS CE C 42.2660 0.3 1 41 67 6 LYS N N 126.7130 0.2 1 42 68 7 SER H H 8.4910 0.02 1 43 68 7 SER HA H 4.4140 0.02 1 44 68 7 SER HB2 H 4.5410 0.02 2 45 68 7 SER HB3 H 3.9250 0.02 2 46 68 7 SER C C 175.6080 0.3 1 47 68 7 SER CA C 58.4000 0.3 1 48 68 7 SER CB C 64.1720 0.3 1 49 68 7 SER N N 115.3070 0.2 1 50 69 8 LEU H H 9.3790 0.02 1 51 69 8 LEU HA H 2.6270 0.02 1 52 69 8 LEU HB2 H 0.5060 0.02 2 53 69 8 LEU HB3 H 1.1720 0.02 2 54 69 8 LEU HG H 0.7720 0.02 1 55 69 8 LEU HD1 H 0.4240 0.02 2 56 69 8 LEU HD2 H -0.0060 . 2 57 69 8 LEU C C 180.2700 0.3 1 58 69 8 LEU CA C 58.5140 0.3 1 59 69 8 LEU CB C 41.6310 0.3 1 60 69 8 LEU CG C 25.3990 0.3 1 61 69 8 LEU CD1 C 25.5640 0.3 2 62 69 8 LEU CD2 C 23.3490 0.3 2 63 69 8 LEU N N 129.2300 0.2 1 64 70 9 THR H H 8.2980 0.02 1 65 70 9 THR HA H 3.7050 0.02 1 66 70 9 THR HB H 4.0390 0.02 1 67 70 9 THR HG2 H 1.1460 0.02 1 68 70 9 THR C C 175.8100 0.3 1 69 70 9 THR CA C 65.5960 0.3 1 70 70 9 THR CB C 68.7910 0.3 1 71 70 9 THR CG2 C 21.4890 0.3 1 72 70 9 THR N N 112.0350 0.2 1 73 71 10 GLU H H 7.3670 0.02 1 74 71 10 GLU HA H 4.2140 0.02 1 75 71 10 GLU HB2 H 2.1050 0.02 2 76 71 10 GLU HB3 H 1.9720 0.02 2 77 71 10 GLU HG2 H 2.2520 0.02 2 78 71 10 GLU HG3 H 2.2520 0.02 2 79 71 10 GLU C C 176.2000 0.3 1 80 71 10 GLU CA C 56.4580 0.3 1 81 71 10 GLU CB C 30.8190 0.3 1 82 71 10 GLU CG C 36.4190 0.3 1 83 71 10 GLU N N 118.5520 0.2 1 84 72 11 THR H H 7.2410 0.02 1 85 72 11 THR HA H 4.0780 0.02 1 86 72 11 THR HB H 3.9260 0.02 1 87 72 11 THR HG2 H 1.6270 0.02 1 88 72 11 THR C C 173.4600 0.3 1 89 72 11 THR CA C 64.8780 0.3 1 90 72 11 THR CB C 69.3540 0.3 1 91 72 11 THR CG2 C 23.1080 0.3 1 92 72 11 THR N N 119.5570 0.2 1 93 73 12 GLU H H 8.9320 0.02 1 94 73 12 GLU HA H 4.0730 0.02 1 95 73 12 GLU HB2 H 2.0140 0.02 2 96 73 12 GLU HB3 H 2.0140 0.02 2 97 73 12 GLU HG2 H 2.3220 0.02 2 98 73 12 GLU HG3 H 2.3220 0.02 2 99 73 12 GLU C C 175.1200 0.3 1 100 73 12 GLU CA C 56.8770 0.3 1 101 73 12 GLU CB C 30.4300 0.3 1 102 73 12 GLU CG C 36.2120 0.3 1 103 73 12 GLU N N 128.1550 0.2 1 104 74 13 LEU H H 8.4050 0.02 1 105 74 13 LEU HA H 4.1850 0.02 1 106 74 13 LEU HB2 H 1.2640 0.02 2 107 74 13 LEU HB3 H 1.4760 0.02 2 108 74 13 LEU HG H 1.1570 0.02 1 109 74 13 LEU HD1 H 0.3960 0.02 2 110 74 13 LEU HD2 H 0.3400 0.02 2 111 74 13 LEU C C 176.4000 0.3 1 112 74 13 LEU CA C 54.7110 0.3 1 113 74 13 LEU CB C 43.5530 0.3 1 114 74 13 LEU CG C 26.6290 0.3 1 115 74 13 LEU CD1 C 24.7000 0.3 2 116 74 13 LEU CD2 C 24.7000 0.3 2 117 74 13 LEU N N 123.4240 0.2 1 118 75 14 LEU H H 9.3190 0.02 1 119 75 14 LEU HA H 4.9910 0.02 1 120 75 14 LEU HB2 H 1.5520 0.02 2 121 75 14 LEU HB3 H 1.7730 0.02 2 122 75 14 LEU HG H 1.7860 0.02 1 123 75 14 LEU HD1 H 0.9450 0.02 2 124 75 14 LEU HD2 H 0.8310 0.02 2 125 75 14 LEU CA C 51.6050 0.3 1 126 75 14 LEU CB C 43.2400 0.3 1 127 75 14 LEU CG C 25.9760 0.3 1 128 75 14 LEU CD1 C 25.6390 0.3 2 129 75 14 LEU CD2 C 24.0670 0.3 2 130 75 14 LEU N N 128.9190 0.2 1 131 76 15 PRO HA H 4.6190 0.02 1 132 76 15 PRO HB2 H 2.4470 0.02 2 133 76 15 PRO HB3 H 1.9700 0.02 2 134 76 15 PRO HG2 H 2.0420 0.02 2 135 76 15 PRO HG3 H 2.1320 0.02 2 136 76 15 PRO HD2 H 3.6750 0.02 2 137 76 15 PRO HD3 H 3.9240 0.02 2 138 76 15 PRO C C 178.5600 0.3 1 139 76 15 PRO CA C 62.9180 0.3 1 140 76 15 PRO CB C 32.3370 0.3 1 141 76 15 PRO CG C 27.8370 0.3 1 142 76 15 PRO CD C 50.7430 0.3 1 143 77 16 ILE H H 8.0300 0.02 1 144 77 16 ILE HA H 3.9820 0.02 1 145 77 16 ILE HB H 1.5860 0.02 1 146 77 16 ILE HG12 H 1.2610 0.02 2 147 77 16 ILE HG13 H 1.5350 0.02 2 148 77 16 ILE HG2 H 0.9320 0.02 1 149 77 16 ILE HD1 H 0.8220 0.02 1 150 77 16 ILE C C 175.7200 0.3 1 151 77 16 ILE CA C 62.3420 0.3 1 152 77 16 ILE CB C 38.8230 0.3 1 153 77 16 ILE CG1 C 29.5890 0.3 1 154 77 16 ILE CG2 C 18.7340 0.3 1 155 77 16 ILE CD1 C 14.4970 0.3 1 156 77 16 ILE N N 121.8880 0.2 1 157 78 17 THR H H 7.5690 0.02 1 158 78 17 THR HA H 4.2070 0.02 1 159 78 17 THR HB H 4.4500 0.02 1 160 78 17 THR HG2 H 1.2940 0.02 1 161 78 17 THR C C 175.7400 0.3 1 162 78 17 THR CA C 62.3160 0.3 1 163 78 17 THR CB C 68.7360 0.3 1 164 78 17 THR CG2 C 22.4240 0.3 1 165 78 17 THR N N 110.7250 0.2 1 166 79 18 GLU H H 7.9030 0.02 1 167 79 18 GLU HA H 4.6080 0.02 1 168 79 18 GLU HB2 H 1.9030 0.02 2 169 79 18 GLU HB3 H 2.3220 0.02 2 170 79 18 GLU HG2 H 2.2880 0.02 2 171 79 18 GLU HG3 H 2.2030 0.02 2 172 79 18 GLU C C 176.9200 0.3 1 173 79 18 GLU CA C 54.8470 0.3 1 174 79 18 GLU CB C 28.5810 0.3 1 175 79 18 GLU CG C 36.2510 0.3 1 176 79 18 GLU N N 121.9270 0.2 1 177 80 19 ALA H H 7.7470 0.02 1 178 80 19 ALA HA H 3.9610 0.02 1 179 80 19 ALA HB H 1.4340 0.02 1 180 80 19 ALA C C 179.0300 0.3 1 181 80 19 ALA CA C 54.8010 0.3 1 182 80 19 ALA CB C 18.6400 0.3 1 183 80 19 ALA N N 123.7490 0.2 1 184 81 20 ASP H H 8.6220 0.02 1 185 81 20 ASP HA H 4.4770 0.02 1 186 81 20 ASP HB2 H 2.6570 0.02 2 187 81 20 ASP HB3 H 2.7010 0.02 2 188 81 20 ASP C C 177.1300 0.3 1 189 81 20 ASP CA C 56.3220 0.3 1 190 81 20 ASP CB C 39.9960 0.3 1 191 81 20 ASP N N 116.4350 0.2 1 192 82 21 SER H H 8.0300 0.02 1 193 82 21 SER HA H 4.4860 0.02 1 194 82 21 SER HB2 H 4.0180 0.02 2 195 82 21 SER HB3 H 4.0180 0.02 2 196 82 21 SER C C 173.8700 0.3 1 197 82 21 SER CA C 58.6540 0.3 1 198 82 21 SER CB C 64.1950 0.3 1 199 82 21 SER N N 113.8240 0.2 1 200 83 22 ILE H H 7.5580 0.02 1 201 83 22 ILE HA H 4.2190 0.02 1 202 83 22 ILE HB H 1.8780 0.02 1 203 83 22 ILE HG12 H 0.9440 0.02 2 204 83 22 ILE HG13 H 1.7280 0.02 2 205 83 22 ILE HG2 H 0.8950 0.02 1 206 83 22 ILE HD1 H 0.8430 0.02 1 207 83 22 ILE CA C 59.1170 0.3 1 208 83 22 ILE CB C 38.3500 0.3 1 209 83 22 ILE CG1 C 28.3700 0.3 1 210 83 22 ILE CG2 C 17.2380 0.3 1 211 83 22 ILE CD1 C 13.7270 0.3 1 212 83 22 ILE N N 124.6840 0.2 1 213 84 23 PRO HA H 4.4690 0.02 1 214 84 23 PRO HB2 H 1.7660 0.02 2 215 84 23 PRO HB3 H 2.4150 0.02 2 216 84 23 PRO HG2 H 2.1000 0.02 2 217 84 23 PRO HG3 H 1.9760 0.02 2 218 84 23 PRO HD2 H 4.0780 0.02 2 219 84 23 PRO HD3 H 3.4840 0.02 2 220 84 23 PRO C C 177.2000 0.3 1 221 84 23 PRO CA C 63.2510 0.3 1 222 84 23 PRO CB C 32.8910 0.3 1 223 84 23 PRO CG C 27.4000 0.3 1 224 84 23 PRO CD C 51.3370 0.3 1 225 85 24 SER H H 8.6320 0.02 1 226 85 24 SER HA H 4.7670 0.02 1 227 85 24 SER HB2 H 3.8540 0.02 2 228 85 24 SER HB3 H 3.9670 0.02 2 229 85 24 SER C C 174.0600 0.3 1 230 85 24 SER CA C 56.2990 0.3 1 231 85 24 SER CB C 62.2220 0.3 1 232 85 24 SER N N 118.9780 0.2 1 233 86 25 ALA H H 6.9390 0.02 1 234 86 25 ALA HA H 4.6820 0.02 1 235 86 25 ALA HB H 1.4270 0.02 1 236 86 25 ALA C C 175.5400 0.3 1 237 86 25 ALA CA C 50.3820 0.3 1 238 86 25 ALA CB C 22.7580 0.3 1 239 86 25 ALA N N 122.5850 0.2 1 240 87 26 SER H H 8.3000 0.02 1 241 87 26 SER HA H 4.8650 0.02 1 242 87 26 SER HB2 H 3.8700 0.02 2 243 87 26 SER HB3 H 3.9450 0.02 2 244 87 26 SER C C 174.1700 0.3 1 245 87 26 SER CA C 57.0430 0.3 1 246 87 26 SER CB C 65.1760 0.3 1 247 87 26 SER N N 113.2230 0.2 1 248 88 27 GLY H H 8.7440 0.02 1 249 88 27 GLY HA2 H 3.5500 0.02 2 250 88 27 GLY HA3 H 5.0450 0.02 2 251 88 27 GLY C C 170.9000 0.3 1 252 88 27 GLY CA C 46.3240 0.3 1 253 88 27 GLY N N 106.4610 0.2 1 254 89 28 VAL H H 8.6150 0.02 1 255 89 28 VAL HA H 5.2740 0.02 1 256 89 28 VAL HB H 1.4540 0.02 1 257 89 28 VAL HG1 H 0.1300 0.02 2 258 89 28 VAL HG2 H 0.1300 0.02 2 259 89 28 VAL C C 172.9400 0.3 1 260 89 28 VAL CA C 57.6450 0.3 1 261 89 28 VAL CB C 34.9500 0.3 1 262 89 28 VAL CG1 C 19.6360 0.3 2 263 89 28 VAL CG2 C 19.6360 0.3 2 264 89 28 VAL N N 117.1020 0.2 1 265 90 29 TYR H H 8.6370 0.02 1 266 90 29 TYR HA H 5.9480 0.02 1 267 90 29 TYR HB2 H 2.8720 0.02 2 268 90 29 TYR HB3 H 3.0210 0.02 2 269 90 29 TYR HD1 H 6.7900 0.02 3 270 90 29 TYR HD2 H 6.7900 0.02 3 271 90 29 TYR HE1 H 6.7740 0.02 3 272 90 29 TYR HE2 H 6.7740 0.02 3 273 90 29 TYR C C 171.9500 0.3 1 274 90 29 TYR CA C 56.2930 0.3 1 275 90 29 TYR CB C 41.4290 0.3 1 276 90 29 TYR CD1 C 133.3500 0.3 3 277 90 29 TYR CD2 C 133.3500 0.3 3 278 90 29 TYR CE1 C 116.9800 0.3 3 279 90 29 TYR CE2 C 116.9800 0.3 3 280 90 29 TYR N N 118.7180 0.2 1 281 91 30 ALA H H 9.4650 0.02 1 282 91 30 ALA HA H 5.5800 0.02 1 283 91 30 ALA HB H 1.3450 0.02 1 284 91 30 ALA C C 176.1600 0.3 1 285 91 30 ALA CA C 49.7930 0.3 1 286 91 30 ALA CB C 23.3170 0.3 1 287 91 30 ALA N N 123.4950 0.2 1 288 92 31 VAL H H 8.9630 0.02 1 289 92 31 VAL HA H 4.7720 0.02 1 290 92 31 VAL HB H 1.7630 0.02 1 291 92 31 VAL HG1 H 1.2530 0.02 2 292 92 31 VAL HG2 H 1.2530 0.02 2 293 92 31 VAL C C 174.3500 0.3 1 294 92 31 VAL CA C 61.9360 0.3 1 295 92 31 VAL CB C 33.9440 0.3 1 296 92 31 VAL CG1 C 21.4890 0.3 2 297 92 31 VAL CG2 C 21.4890 0.3 2 298 92 31 VAL N N 121.2050 0.2 1 299 93 32 TYR H H 9.5230 0.02 1 300 93 32 TYR HA H 5.0660 0.02 1 301 93 32 TYR HB2 H 2.5660 0.02 2 302 93 32 TYR HB3 H 3.0660 0.02 2 303 93 32 TYR HD1 H 6.7020 0.02 3 304 93 32 TYR HD2 H 6.7020 0.02 3 305 93 32 TYR HE1 H 6.4300 0.02 3 306 93 32 TYR HE2 H 6.4300 0.02 3 307 93 32 TYR C C 176.5000 0.3 1 308 93 32 TYR CA C 56.4290 0.3 1 309 93 32 TYR CB C 41.3740 0.3 1 310 93 32 TYR CD1 C 133.0900 0.3 3 311 93 32 TYR CD2 C 133.0900 0.3 3 312 93 32 TYR CE1 C 117.7400 0.3 3 313 93 32 TYR CE2 C 117.7400 0.3 3 314 93 32 TYR N N 128.4050 0.2 1 315 94 33 ASP H H 8.9550 0.02 1 316 94 33 ASP HA H 4.8040 0.02 1 317 94 33 ASP HB2 H 2.8300 0.02 2 318 94 33 ASP HB3 H 3.7010 0.02 2 319 94 33 ASP C C 178.8400 0.3 1 320 94 33 ASP CA C 53.1020 0.3 1 321 94 33 ASP CB C 41.6400 0.3 1 322 94 33 ASP N N 121.9850 0.2 1 323 95 34 LYS H H 8.8570 0.02 1 324 95 34 LYS HA H 4.2410 0.02 1 325 95 34 LYS HB2 H 2.0550 0.02 2 326 95 34 LYS HB3 H 1.9790 0.02 2 327 95 34 LYS HG2 H 1.5010 0.02 2 328 95 34 LYS HG3 H 1.4050 0.02 2 329 95 34 LYS HD2 H 1.7610 0.02 2 330 95 34 LYS HD3 H 1.7610 0.02 2 331 95 34 LYS HE2 H 3.0420 0.02 2 332 95 34 LYS HE3 H 3.0420 0.02 2 333 95 34 LYS C C 177.0900 0.3 1 334 95 34 LYS CA C 58.7290 0.3 1 335 95 34 LYS CB C 31.4270 0.3 1 336 95 34 LYS CG C 26.0700 0.3 1 337 95 34 LYS CD C 29.3860 0.3 1 338 95 34 LYS CE C 42.2300 0.3 1 339 95 34 LYS N N 117.1580 0.2 1 340 96 35 SER H H 8.6270 0.02 1 341 96 35 SER HA H 4.6680 0.02 1 342 96 35 SER HB2 H 4.0390 0.02 2 343 96 35 SER HB3 H 4.0390 0.02 2 344 96 35 SER C C 173.1000 0.3 1 345 96 35 SER CA C 57.7840 0.3 1 346 96 35 SER CB C 63.6270 0.3 1 347 96 35 SER N N 117.3420 0.2 1 348 97 36 ASP H H 8.1230 0.02 1 349 97 36 ASP HA H 4.1810 0.02 1 350 97 36 ASP HB2 H 2.8600 0.02 2 351 97 36 ASP HB3 H 3.0470 0.02 2 352 97 36 ASP C C 174.4500 0.3 1 353 97 36 ASP CA C 56.3180 0.3 1 354 97 36 ASP CB C 38.2430 0.3 1 355 97 36 ASP N N 114.6640 0.2 1 356 98 37 GLU H H 8.5130 0.02 1 357 98 37 GLU HA H 4.7020 0.02 1 358 98 37 GLU HB2 H 2.0500 0.02 2 359 98 37 GLU HB3 H 2.0500 0.02 2 360 98 37 GLU HG2 H 2.1290 0.02 2 361 98 37 GLU HG3 H 2.1290 0.02 2 362 98 37 GLU C C 177.4200 0.3 1 363 98 37 GLU CA C 55.3610 0.3 1 364 98 37 GLU CB C 30.2910 0.3 1 365 98 37 GLU CG C 36.2680 0.3 1 366 98 37 GLU N N 120.0520 0.2 1 367 99 38 LEU H H 8.8550 0.02 1 368 99 38 LEU HA H 3.1940 0.02 1 369 99 38 LEU HB2 H 0.7790 0.02 2 370 99 38 LEU HB3 H 1.1550 0.02 2 371 99 38 LEU HG H 0.4560 0.02 1 372 99 38 LEU HD1 H -0.2130 . 2 373 99 38 LEU HD2 H -0.0270 . 2 374 99 38 LEU C C 176.0800 0.3 1 375 99 38 LEU CA C 56.4740 0.3 1 376 99 38 LEU CB C 40.6720 0.3 1 377 99 38 LEU CG C 25.5680 0.3 1 378 99 38 LEU CD1 C 25.1790 0.3 2 379 99 38 LEU CD2 C 23.2300 0.3 2 380 99 38 LEU N N 129.0250 0.2 1 381 100 39 GLN H H 9.2070 0.02 1 382 100 39 GLN HA H 4.1540 0.02 1 383 100 39 GLN HB2 H 1.4350 0.02 2 384 100 39 GLN HB3 H 1.4350 0.02 2 385 100 39 GLN HG2 H 2.2450 0.02 2 386 100 39 GLN HG3 H 2.2450 0.02 2 387 100 39 GLN HE21 H 6.8350 0.02 2 388 100 39 GLN HE22 H 7.3490 0.02 2 389 100 39 GLN C C 176.0800 0.3 1 390 100 39 GLN CA C 56.2980 0.3 1 391 100 39 GLN CB C 31.0320 0.3 1 392 100 39 GLN CG C 33.9260 0.3 1 393 100 39 GLN N N 124.6370 0.2 1 394 100 39 GLN NE2 N 112.4500 0.2 1 395 101 40 PHE H H 6.8540 0.02 1 396 101 40 PHE HA H 4.4070 0.02 1 397 101 40 PHE HB2 H 1.6940 0.02 2 398 101 40 PHE HB3 H 1.1710 0.02 2 399 101 40 PHE HD1 H 6.3830 0.02 3 400 101 40 PHE HD2 H 6.3830 0.02 3 401 101 40 PHE HE1 H 7.3300 0.02 3 402 101 40 PHE HE2 H 7.3300 0.02 3 403 101 40 PHE HZ H 7.2660 0.02 1 404 101 40 PHE C C 172.2800 0.3 1 405 101 40 PHE CA C 56.7070 0.3 1 406 101 40 PHE CB C 42.2800 0.3 1 407 101 40 PHE CD1 C 131.4400 0.3 3 408 101 40 PHE CD2 C 131.4400 0.3 3 409 101 40 PHE CE1 C 131.4800 0.3 3 410 101 40 PHE CE2 C 131.4800 0.3 3 411 101 40 PHE CZ C 129.7700 0.3 1 412 101 40 PHE N N 116.5510 0.2 1 413 102 41 VAL H H 8.6760 0.02 1 414 102 41 VAL HA H 4.5300 0.02 1 415 102 41 VAL HB H 1.4260 0.02 1 416 102 41 VAL HG1 H 0.5960 0.02 2 417 102 41 VAL HG2 H 0.8810 0.02 2 418 102 41 VAL C C 174.8800 0.3 1 419 102 41 VAL CA C 60.4990 0.3 1 420 102 41 VAL CB C 32.6320 0.3 1 421 102 41 VAL CG1 C 22.1240 0.3 2 422 102 41 VAL CG2 C 22.1240 0.3 2 423 102 41 VAL N N 127.9360 0.2 1 424 103 42 GLY H H 8.5450 0.02 1 425 103 42 GLY HA2 H 3.0220 0.02 2 426 103 42 GLY HA3 H 4.4630 0.02 2 427 103 42 GLY C C 171.2400 0.3 1 428 103 42 GLY CA C 44.5340 0.3 1 429 103 42 GLY N N 114.4200 0.2 1 430 104 43 ILE H H 8.1520 0.02 1 431 104 43 ILE HA H 5.0290 0.02 1 432 104 43 ILE HB H 1.5060 0.02 1 433 104 43 ILE HG12 H 0.7430 0.02 2 434 104 43 ILE HG13 H 1.3370 0.02 2 435 104 43 ILE HG2 H 0.8550 0.02 1 436 104 43 ILE HD1 H 0.4630 0.02 1 437 104 43 ILE C C 176.4000 0.3 1 438 104 43 ILE CA C 59.7350 0.3 1 439 104 43 ILE CB C 41.9000 0.3 1 440 104 43 ILE CG1 C 26.7920 0.3 1 441 104 43 ILE CG2 C 19.6570 0.3 1 442 104 43 ILE CD1 C 13.7020 0.3 1 443 104 43 ILE N N 113.0360 0.2 1 444 105 44 SER H H 8.7940 0.02 1 445 105 44 SER HA H 4.7570 0.02 1 446 105 44 SER HB2 H 4.0960 0.02 2 447 105 44 SER HB3 H 3.2420 0.02 2 448 105 44 SER C C 173.8600 0.3 1 449 105 44 SER CA C 56.5300 0.3 1 450 105 44 SER CB C 64.8540 0.3 1 451 105 44 SER N N 115.3350 0.2 1 452 106 45 ARG H H 8.8200 0.02 1 453 106 45 ARG HA H 4.5210 0.02 1 454 106 45 ARG HB2 H 1.9540 0.02 2 455 106 45 ARG HB3 H 1.7210 0.02 2 456 106 45 ARG HG2 H 1.6190 0.02 2 457 106 45 ARG HG3 H 1.6870 0.02 2 458 106 45 ARG HD2 H 3.1730 0.02 2 459 106 45 ARG HD3 H 3.1730 0.02 2 460 106 45 ARG C C 175.8300 0.3 1 461 106 45 ARG CA C 55.9560 0.3 1 462 106 45 ARG CB C 29.7530 0.3 1 463 106 45 ARG CG C 27.3060 0.3 1 464 106 45 ARG CD C 42.2320 0.3 1 465 106 45 ARG N N 123.2890 0.2 1 466 107 46 ASN H H 8.8420 0.02 1 467 107 46 ASN HA H 4.2490 0.02 1 468 107 46 ASN HB2 H 2.6490 0.02 2 469 107 46 ASN HB3 H 2.7450 0.02 2 470 107 46 ASN HD21 H 6.8140 0.02 2 471 107 46 ASN HD22 H 7.4000 0.02 2 472 107 46 ASN C C 175.1600 0.3 1 473 107 46 ASN CA C 52.7850 0.3 1 474 107 46 ASN CB C 37.4320 0.3 1 475 107 46 ASN N N 117.9620 0.2 1 476 107 46 ASN ND2 N 110.0670 0.2 1 477 108 47 ILE H H 8.9840 0.02 1 478 108 47 ILE HA H 3.1390 0.02 1 479 108 47 ILE HB H 1.7300 0.02 1 480 108 47 ILE HG12 H 0.6720 0.02 2 481 108 47 ILE HG13 H 1.9120 0.02 2 482 108 47 ILE HG2 H 0.6510 0.02 1 483 108 47 ILE HD1 H 0.6510 0.02 1 484 108 47 ILE C C 176.7900 0.3 1 485 108 47 ILE CA C 66.6810 0.3 1 486 108 47 ILE CB C 38.3740 0.3 1 487 108 47 ILE CG1 C 29.9270 0.3 1 488 108 47 ILE CG2 C 17.7380 0.3 1 489 108 47 ILE CD1 C 14.6510 0.3 1 490 108 47 ILE N N 125.9090 0.2 1 491 109 48 ALA H H 7.7430 0.02 1 492 109 48 ALA HA H 3.6650 0.02 1 493 109 48 ALA HB H 1.2890 0.02 1 494 109 48 ALA C C 180.1500 0.3 1 495 109 48 ALA CA C 56.0040 0.3 1 496 109 48 ALA CB C 17.8200 0.3 1 497 109 48 ALA N N 120.7060 0.2 1 498 110 49 ALA H H 7.4330 0.02 1 499 110 49 ALA HA H 4.0290 0.02 1 500 110 49 ALA HB H 1.3090 0.02 1 501 110 49 ALA C C 181.5000 0.3 1 502 110 49 ALA CA C 54.4570 0.3 1 503 110 49 ALA CB C 17.7320 0.3 1 504 110 49 ALA N N 120.7720 0.2 1 505 111 50 SER H H 8.1520 0.02 1 506 111 50 SER HA H 3.9670 0.02 1 507 111 50 SER HB2 H 3.5720 0.02 2 508 111 50 SER HB3 H 3.5720 0.02 2 509 111 50 SER C C 174.8300 0.3 1 510 111 50 SER CA C 62.6670 0.3 1 511 111 50 SER CB C 61.7940 0.3 1 512 111 50 SER N N 118.2970 0.2 1 513 112 51 VAL H H 8.6060 0.02 1 514 112 51 VAL HA H 3.4710 0.02 1 515 112 51 VAL HB H 2.0030 0.02 1 516 112 51 VAL HG1 H 0.9140 0.02 2 517 112 51 VAL HG2 H 0.7500 0.02 2 518 112 51 VAL C C 177.6400 0.3 1 519 112 51 VAL CA C 67.4130 0.3 1 520 112 51 VAL CB C 30.8880 0.3 1 521 112 51 VAL CG1 C 21.8310 0.3 2 522 112 51 VAL CG2 C 24.2130 0.3 2 523 112 51 VAL N N 120.7530 0.2 1 524 113 52 SER H H 8.1090 0.02 1 525 113 52 SER HA H 3.9220 0.02 1 526 113 52 SER HB2 H 4.0420 0.02 2 527 113 52 SER HB3 H 4.0420 0.02 2 528 113 52 SER C C 176.7000 0.3 1 529 113 52 SER CA C 62.5950 0.3 1 530 113 52 SER CB C 62.5950 0.3 1 531 113 52 SER N N 114.2140 0.2 1 532 114 53 ALA H H 7.4800 0.02 1 533 114 53 ALA HA H 4.1300 0.02 1 534 114 53 ALA HB H 1.3810 0.02 1 535 114 53 ALA C C 181.8600 0.3 1 536 114 53 ALA CA C 54.7940 0.3 1 537 114 53 ALA CB C 17.7040 0.3 1 538 114 53 ALA N N 122.4320 0.2 1 539 115 54 HIS H H 7.9480 0.02 1 540 115 54 HIS HA H 4.5980 0.02 1 541 115 54 HIS HB2 H 3.0100 0.02 2 542 115 54 HIS HB3 H 3.4370 0.02 2 543 115 54 HIS HD2 H 6.7690 0.02 1 544 115 54 HIS HE1 H 8.0900 0.02 1 545 115 54 HIS C C 177.1200 0.3 1 546 115 54 HIS CA C 58.1980 0.3 1 547 115 54 HIS CB C 28.6090 0.3 1 548 115 54 HIS CD2 C 117.0200 0.3 1 549 115 54 HIS CE1 C 139.5700 0.3 1 550 115 54 HIS N N 118.9190 0.2 1 551 116 55 LEU H H 8.5440 0.02 1 552 116 55 LEU HA H 4.0190 0.02 1 553 116 55 LEU HB2 H 1.7510 0.02 2 554 116 55 LEU HB3 H 1.7510 0.02 2 555 116 55 LEU HG H 1.7440 0.02 1 556 116 55 LEU HD2 H 0.9370 0.02 2 557 116 55 LEU C C 178.4700 0.3 1 558 116 55 LEU CA C 58.2030 0.3 1 559 116 55 LEU CB C 41.9880 0.3 1 560 116 55 LEU CG C 27.0260 0.3 1 561 116 55 LEU CD1 C 24.6500 0.3 2 562 116 55 LEU CD2 C 24.6500 0.3 2 563 116 55 LEU N N 119.8180 0.2 1 564 117 56 LYS H H 7.4620 0.02 1 565 117 56 LYS HA H 4.1630 0.02 1 566 117 56 LYS HB2 H 1.8670 0.02 2 567 117 56 LYS HB3 H 1.9280 0.02 2 568 117 56 LYS HG2 H 1.4640 0.02 2 569 117 56 LYS HG3 H 1.5810 0.02 2 570 117 56 LYS HD2 H 1.6670 0.02 2 571 117 56 LYS HD3 H 1.6670 0.02 2 572 117 56 LYS HE2 H 2.9490 0.02 2 573 117 56 LYS HE3 H 2.9490 0.02 2 574 117 56 LYS C C 177.9000 0.3 1 575 117 56 LYS CA C 57.8260 0.3 1 576 117 56 LYS CB C 32.9510 0.3 1 577 117 56 LYS CG C 25.0920 0.3 1 578 117 56 LYS CD C 29.3440 0.3 1 579 117 56 LYS CE C 42.2790 0.3 1 580 117 56 LYS N N 115.1920 0.2 1 581 118 57 SER H H 7.6060 0.02 1 582 118 57 SER HA H 4.5020 0.02 1 583 118 57 SER HB2 H 3.9280 0.02 2 584 118 57 SER HB3 H 3.9280 0.02 2 585 118 57 SER C C 175.0700 0.3 1 586 118 57 SER CA C 60.5320 0.3 1 587 118 57 SER CB C 64.7840 0.3 1 588 118 57 SER N N 112.9940 0.2 1 589 119 58 VAL H H 8.8160 0.02 1 590 119 58 VAL HA H 4.8100 0.02 1 591 119 58 VAL HB H 1.9750 0.02 1 592 119 58 VAL HG1 H 0.4540 0.02 2 593 119 58 VAL HG2 H 0.6490 0.02 2 594 119 58 VAL CA C 58.2700 0.3 1 595 119 58 VAL CB C 32.2630 0.3 1 596 119 58 VAL CG1 C 18.9750 0.3 2 597 119 58 VAL CG2 C 21.9270 0.3 2 598 119 58 VAL N N 115.7290 0.2 1 599 120 59 PRO HA H 4.2530 0.02 1 600 120 59 PRO HB2 H 2.7000 0.02 2 601 120 59 PRO HB3 H 1.9670 0.02 2 602 120 59 PRO HG2 H 2.0210 0.02 2 603 120 59 PRO HG3 H 2.0210 0.02 2 604 120 59 PRO HD2 H 3.5960 0.02 2 605 120 59 PRO HD3 H 3.2640 0.02 2 606 120 59 PRO C C 179.7200 0.3 1 607 120 59 PRO CA C 66.0810 0.3 1 608 120 59 PRO CB C 30.4640 0.3 1 609 120 59 PRO CG C 27.6000 0.3 1 610 120 59 PRO CD C 50.2530 0.3 1 611 121 60 GLU H H 9.7790 0.02 1 612 121 60 GLU HA H 4.1910 0.02 1 613 121 60 GLU HB2 H 1.9780 0.02 2 614 121 60 GLU HB3 H 2.1220 0.02 2 615 121 60 GLU HG2 H 2.4220 0.02 2 616 121 60 GLU HG3 H 2.4220 0.02 2 617 121 60 GLU C C 177.5200 0.3 1 618 121 60 GLU CA C 58.5590 0.3 1 619 121 60 GLU CB C 28.1560 0.3 1 620 121 60 GLU CG C 35.7800 0.3 1 621 121 60 GLU N N 117.2930 0.2 1 622 122 61 LEU H H 7.8070 0.02 1 623 122 61 LEU HA H 4.6350 0.02 1 624 122 61 LEU HB2 H 1.8560 0.02 2 625 122 61 LEU HB3 H 1.8560 0.02 2 626 122 61 LEU HG H 1.5730 0.02 1 627 122 61 LEU HD1 H 0.9250 0.02 2 628 122 61 LEU C C 174.6600 0.3 1 629 122 61 LEU CA C 54.3770 0.3 1 630 122 61 LEU CB C 43.3680 0.3 1 631 122 61 LEU CG C 26.2000 0.3 1 632 122 61 LEU CD1 C 22.2180 0.3 2 633 122 61 LEU N N 118.9650 0.2 1 634 123 62 CYS H H 7.0790 0.02 1 635 123 62 CYS HA H 4.5350 0.02 1 636 123 62 CYS HB2 H 2.3520 0.02 2 637 123 62 CYS HB3 H 3.1270 0.02 2 638 123 62 CYS C C 173.8000 0.3 1 639 123 62 CYS CA C 58.1590 0.3 1 640 123 62 CYS CB C 28.8730 0.3 1 641 123 62 CYS N N 113.9560 0.2 1 642 124 63 GLY H H 9.5340 0.02 1 643 124 63 GLY HA2 H 3.4280 0.02 2 644 124 63 GLY HA3 H 4.4040 0.02 2 645 124 63 GLY C C 173.8600 0.3 1 646 124 63 GLY CA C 46.3560 0.3 1 647 124 63 GLY N N 112.1890 0.2 1 648 125 64 SER H H 8.7470 0.02 1 649 125 64 SER HA H 5.1340 0.02 1 650 125 64 SER HB2 H 3.4850 0.02 2 651 125 64 SER HB3 H 3.8780 0.02 2 652 125 64 SER C C 172.0300 0.3 1 653 125 64 SER CA C 58.7600 0.3 1 654 125 64 SER CB C 66.4300 0.3 1 655 125 64 SER N N 116.6060 0.2 1 656 126 65 VAL H H 9.5640 0.02 1 657 126 65 VAL HA H 6.1240 0.02 1 658 126 65 VAL HB H 2.1710 0.02 1 659 126 65 VAL HG1 H 1.0750 0.02 2 660 126 65 VAL HG2 H 1.0750 0.02 2 661 126 65 VAL C C 174.2000 0.3 1 662 126 65 VAL CA C 58.7900 0.3 1 663 126 65 VAL CB C 37.1090 0.3 1 664 126 65 VAL CG1 C 21.5590 0.3 2 665 126 65 VAL CG2 C 21.5590 0.3 2 666 126 65 VAL N N 117.7850 0.2 1 667 127 66 LYS H H 9.0760 0.02 1 668 127 66 LYS HA H 5.1610 0.02 1 669 127 66 LYS HB3 H 1.7390 0.02 2 670 127 66 LYS C C 176.5000 0.3 1 671 127 66 LYS CA C 56.2470 0.3 1 672 127 66 LYS CB C 37.4020 0.3 1 673 127 66 LYS N N 122.0340 0.2 1 674 128 67 VAL H H 9.2930 0.02 1 675 128 67 VAL HA H 5.1220 0.02 1 676 128 67 VAL HB H 2.1950 0.02 1 677 128 67 VAL HG1 H 1.0180 0.02 2 678 128 67 VAL HG2 H 1.0470 0.02 2 679 128 67 VAL C C 175.0200 0.3 1 680 128 67 VAL CA C 61.1150 0.3 1 681 128 67 VAL CB C 35.2160 0.3 1 682 128 67 VAL CG1 C 20.5270 0.3 2 683 128 67 VAL CG2 C 22.6360 0.3 2 684 128 67 VAL N N 117.7880 0.2 1 685 129 68 GLY H H 9.1820 0.02 1 686 129 68 GLY HA2 H 2.9840 0.02 2 687 129 68 GLY HA3 H 4.6010 0.02 2 688 129 68 GLY C C 171.9300 0.3 1 689 129 68 GLY CA C 45.6570 0.3 1 690 129 68 GLY N N 116.1860 0.2 1 691 130 69 ILE H H 8.5810 0.02 1 692 130 69 ILE HA H 4.1070 0.02 1 693 130 69 ILE HB H 1.8440 0.02 1 694 130 69 ILE HG12 H 1.1000 0.02 2 695 130 69 ILE HG13 H 1.5580 0.02 2 696 130 69 ILE HG2 H 0.8980 0.02 1 697 130 69 ILE HD1 H 0.7890 0.02 1 698 130 69 ILE C C 176.4900 0.3 1 699 130 69 ILE CA C 61.7940 0.3 1 700 130 69 ILE CB C 37.8300 0.3 1 701 130 69 ILE CG1 C 28.0000 0.3 1 702 130 69 ILE CG2 C 17.7600 0.3 1 703 130 69 ILE CD1 C 12.5500 0.3 1 704 130 69 ILE N N 125.2490 0.2 1 705 131 70 VAL H H 8.5350 0.02 1 706 131 70 VAL HA H 4.2440 0.02 1 707 131 70 VAL HB H 1.7580 0.02 1 708 131 70 VAL HG1 H 0.7540 0.02 2 709 131 70 VAL HG2 H 0.8210 0.02 2 710 131 70 VAL C C 175.3900 0.3 1 711 131 70 VAL CA C 60.7940 0.3 1 712 131 70 VAL CB C 33.7200 0.3 1 713 131 70 VAL CG1 C 21.4200 0.3 2 714 131 70 VAL CG2 C 21.4200 0.3 2 715 131 70 VAL N N 127.2930 0.2 1 716 132 71 GLU H H 8.7470 0.02 1 717 132 71 GLU HA H 4.1190 0.02 1 718 132 71 GLU HB2 H 2.0910 0.02 2 719 132 71 GLU HB3 H 1.9570 0.02 2 720 132 71 GLU HG2 H 2.3150 0.02 2 721 132 71 GLU HG3 H 2.2500 0.02 2 722 132 71 GLU C C 176.3900 0.3 1 723 132 71 GLU CA C 57.9960 0.3 1 724 132 71 GLU CB C 30.3870 0.3 1 725 132 71 GLU CG C 37.0300 0.3 1 726 132 71 GLU N N 126.3870 0.2 1 727 133 72 GLU H H 8.1700 0.02 1 728 133 72 GLU HA H 4.5560 0.02 1 729 133 72 GLU HB2 H 2.0440 0.02 2 730 133 72 GLU HB3 H 1.9360 0.02 2 731 133 72 GLU HG2 H 2.2510 0.02 2 732 133 72 GLU HG3 H 2.2510 0.02 2 733 133 72 GLU CA C 54.4830 0.3 1 734 133 72 GLU CB C 29.8490 0.3 1 735 133 72 GLU CG C 36.4000 0.3 1 736 133 72 GLU N N 118.7700 0.2 1 737 134 73 PRO HA H 4.2590 0.02 1 738 134 73 PRO HB2 H 2.0550 0.02 2 739 134 73 PRO HB3 H 1.9880 0.02 2 740 134 73 PRO HG2 H 2.0770 0.02 2 741 134 73 PRO HG3 H 2.0010 0.02 2 742 134 73 PRO HD2 H 3.7540 0.02 2 743 134 73 PRO HD3 H 3.7540 0.02 2 744 134 73 PRO C C 176.1700 0.3 1 745 134 73 PRO CA C 63.3360 0.3 1 746 134 73 PRO CB C 30.9570 0.3 1 747 134 73 PRO CG C 27.2910 0.3 1 748 134 73 PRO CD C 50.6240 0.3 1 749 135 74 ASP H H 7.5850 0.02 1 750 135 74 ASP HA H 4.5530 0.02 1 751 135 74 ASP HB3 H 2.7630 0.02 2 752 135 74 ASP CA C 53.9040 0.3 1 753 135 74 ASP CB C 42.3210 0.3 1 754 135 74 ASP N N 119.8590 0.2 1 755 136 75 LYS HA H 3.9220 0.02 1 756 136 75 LYS HB2 H 1.8750 0.02 2 757 136 75 LYS HB3 H 1.8750 0.02 2 758 136 75 LYS HG2 H 1.5200 0.02 2 759 136 75 LYS HG3 H 1.5200 0.02 2 760 136 75 LYS HD2 H 1.6650 0.02 2 761 136 75 LYS HD3 H 1.6650 0.02 2 762 136 75 LYS HE2 H 2.9500 0.02 2 763 136 75 LYS HE3 H 2.9500 0.02 2 764 136 75 LYS C C 178.3900 0.3 1 765 136 75 LYS CA C 59.9860 0.3 1 766 136 75 LYS CB C 32.3800 0.3 1 767 136 75 LYS CG C 24.9310 0.3 1 768 136 75 LYS CD C 29.4120 0.3 1 769 136 75 LYS CE C 42.3180 0.3 1 770 137 76 ALA H H 8.5380 0.02 1 771 137 76 ALA HA H 4.1740 0.02 1 772 137 76 ALA HB H 1.4880 0.02 1 773 137 76 ALA C C 180.6800 0.3 1 774 137 76 ALA CA C 55.2930 0.3 1 775 137 76 ALA CB C 18.1810 0.3 1 776 137 76 ALA N N 122.6910 0.2 1 777 138 77 VAL H H 7.9640 0.02 1 778 138 77 VAL HA H 3.8000 0.02 1 779 138 77 VAL HB H 2.1160 0.02 1 780 138 77 VAL HG1 H 1.0210 0.02 2 781 138 77 VAL HG2 H 1.0730 0.02 2 782 138 77 VAL C C 179.1800 0.3 1 783 138 77 VAL CA C 65.7940 0.3 1 784 138 77 VAL CB C 31.8100 0.3 1 785 138 77 VAL CG1 C 21.9700 0.3 2 786 138 77 VAL CG2 C 21.9700 0.3 2 787 138 77 VAL N N 119.3040 0.2 1 788 139 78 LEU H H 7.9200 0.02 1 789 139 78 LEU HA H 3.9560 0.02 1 790 139 78 LEU HB2 H 1.4330 0.02 2 791 139 78 LEU HB3 H 1.8810 0.02 2 792 139 78 LEU HG H 1.8710 0.02 1 793 139 78 LEU HD1 H 0.7770 0.02 2 794 139 78 LEU HD2 H 0.7770 0.02 2 795 139 78 LEU C C 178.3400 0.3 1 796 139 78 LEU CA C 58.3870 0.3 1 797 139 78 LEU CB C 41.6940 0.3 1 798 139 78 LEU CG C 27.0300 0.3 1 799 139 78 LEU CD1 C 24.8000 0.3 2 800 139 78 LEU CD2 C 24.8000 0.3 2 801 139 78 LEU N N 120.7180 0.2 1 802 140 79 THR H H 8.1170 0.02 1 803 140 79 THR HA H 3.9030 0.02 1 804 140 79 THR HB H 4.2740 0.02 1 805 140 79 THR HG2 H 1.2690 0.02 1 806 140 79 THR C C 176.2800 0.3 1 807 140 79 THR CA C 67.3740 0.3 1 808 140 79 THR CB C 68.6110 0.3 1 809 140 79 THR CG2 C 21.8910 0.3 1 810 140 79 THR N N 113.9120 0.2 1 811 141 80 GLN H H 7.9050 0.02 1 812 141 80 GLN HA H 4.1190 0.02 1 813 141 80 GLN HB2 H 2.1930 0.02 2 814 141 80 GLN HB3 H 2.2360 0.02 2 815 141 80 GLN HG2 H 2.4680 0.02 2 816 141 80 GLN HG3 H 2.5110 0.02 2 817 141 80 GLN HE21 H 6.9430 0.02 2 818 141 80 GLN HE22 H 7.4000 0.02 2 819 141 80 GLN C C 178.0500 0.3 1 820 141 80 GLN CA C 59.0500 0.3 1 821 141 80 GLN CB C 28.3110 0.3 1 822 141 80 GLN CG C 33.8400 0.3 1 823 141 80 GLN N N 121.0080 0.2 1 824 141 80 GLN NE2 N 111.4000 0.2 1 825 142 81 ALA H H 7.8330 0.02 1 826 142 81 ALA HA H 3.9810 0.02 1 827 142 81 ALA HB H 1.2380 0.02 1 828 142 81 ALA C C 177.7400 0.3 1 829 142 81 ALA CA C 55.0140 0.3 1 830 142 81 ALA CB C 17.8460 0.3 1 831 142 81 ALA N N 122.8730 0.2 1 832 143 82 TRP H H 7.9770 0.02 1 833 143 82 TRP HA H 3.6230 0.02 1 834 143 82 TRP HB2 H 3.5800 0.02 2 835 143 82 TRP HB3 H 2.9860 0.02 2 836 143 82 TRP HD1 H 6.5220 0.02 1 837 143 82 TRP HE1 H 9.1650 0.02 1 838 143 82 TRP HE3 H 7.5880 0.02 1 839 143 82 TRP HZ2 H 7.3550 0.02 1 840 143 82 TRP HZ3 H 7.0840 0.02 1 841 143 82 TRP HH2 H 7.1830 0.02 1 842 143 82 TRP C C 176.8300 0.3 1 843 143 82 TRP CA C 62.2100 0.3 1 844 143 82 TRP CB C 28.7450 0.3 1 845 143 82 TRP CD1 C 125.8000 0.3 1 846 143 82 TRP CE3 C 120.5000 0.3 1 847 143 82 TRP CZ2 C 114.5700 0.3 1 848 143 82 TRP CZ3 C 122.1000 0.3 1 849 143 82 TRP CH2 C 124.6000 0.3 1 850 143 82 TRP N N 118.2790 0.2 1 851 143 82 TRP NE1 N 128.0800 0.2 1 852 144 83 LYS H H 8.4710 0.02 1 853 144 83 LYS HA H 3.4860 0.02 1 854 144 83 LYS HB2 H 2.0160 0.02 2 855 144 83 LYS HB3 H 1.9490 0.02 2 856 144 83 LYS HG2 H 1.4740 0.02 2 857 144 83 LYS HG3 H 1.7720 0.02 2 858 144 83 LYS HD2 H 1.7560 0.02 2 859 144 83 LYS HD3 H 1.7560 0.02 2 860 144 83 LYS HE2 H 3.0380 0.02 2 861 144 83 LYS HE3 H 3.0380 0.02 2 862 144 83 LYS C C 178.3400 0.3 1 863 144 83 LYS CA C 59.3460 0.3 1 864 144 83 LYS CB C 32.9220 0.3 1 865 144 83 LYS CG C 25.6450 0.3 1 866 144 83 LYS CD C 29.9090 0.3 1 867 144 83 LYS CE C 42.1400 0.3 1 868 144 83 LYS N N 117.4540 0.2 1 869 145 84 LEU H H 7.9900 0.02 1 870 145 84 LEU HA H 4.0960 0.02 1 871 145 84 LEU HB2 H 1.8980 0.02 2 872 145 84 LEU HB3 H 1.8980 0.02 2 873 145 84 LEU HG H 1.8670 0.02 1 874 145 84 LEU HD1 H 0.9900 0.02 2 875 145 84 LEU HD2 H 0.9900 0.02 2 876 145 84 LEU C C 181.2000 0.3 1 877 145 84 LEU CA C 58.1900 0.3 1 878 145 84 LEU CB C 41.7600 0.3 1 879 145 84 LEU CG C 26.9520 0.3 1 880 145 84 LEU CD1 C 24.7170 0.3 2 881 145 84 LEU CD2 C 24.7170 0.3 2 882 145 84 LEU N N 117.9940 0.2 1 883 146 85 TRP H H 7.9340 0.02 1 884 146 85 TRP HA H 4.6770 0.02 1 885 146 85 TRP HB2 H 2.8200 0.02 2 886 146 85 TRP HB3 H 3.1350 0.02 2 887 146 85 TRP HD1 H 6.9790 0.02 1 888 146 85 TRP HE1 H 10.6390 0.02 1 889 146 85 TRP HE3 H 6.8380 0.02 1 890 146 85 TRP HZ2 H 7.2880 0.02 1 891 146 85 TRP HH2 H 6.5780 0.02 1 892 146 85 TRP C C 177.6900 0.3 1 893 146 85 TRP CA C 60.7860 0.3 1 894 146 85 TRP CB C 29.8860 0.3 1 895 146 85 TRP CD1 C 123.3000 0.3 1 896 146 85 TRP CE3 C 119.3000 0.3 1 897 146 85 TRP CZ2 C 114.0360 0.3 1 898 146 85 TRP CH2 C 123.4000 0.3 1 899 146 85 TRP N N 121.0050 0.2 1 900 146 85 TRP NE1 N 129.2200 0.2 1 901 147 86 ILE H H 8.2930 0.02 1 902 147 86 ILE HA H 3.5210 0.02 1 903 147 86 ILE HB H 0.9970 0.02 1 904 147 86 ILE HG12 H 0.5610 0.02 2 905 147 86 ILE HG13 H 0.6670 0.02 2 906 147 86 ILE HG2 H 0.2620 0.02 1 907 147 86 ILE HD1 H 0.2790 0.02 1 908 147 86 ILE C C 177.6400 0.3 1 909 147 86 ILE CA C 65.1470 0.3 1 910 147 86 ILE CB C 36.8840 0.3 1 911 147 86 ILE CG1 C 28.9820 0.3 1 912 147 86 ILE CG2 C 16.2290 0.3 1 913 147 86 ILE CD1 C 12.3420 0.3 1 914 147 86 ILE N N 118.6800 0.2 1 915 148 87 GLU H H 8.5570 0.02 1 916 148 87 GLU HA H 3.8460 0.02 1 917 148 87 GLU HB2 H 2.1740 0.02 2 918 148 87 GLU HB3 H 1.9460 0.02 2 919 148 87 GLU HG2 H 2.1940 0.02 2 920 148 87 GLU HG3 H 2.5150 0.02 2 921 148 87 GLU C C 179.6500 0.3 1 922 148 87 GLU CA C 59.9660 0.3 1 923 148 87 GLU CB C 28.7560 0.3 1 924 148 87 GLU CG C 37.8300 0.3 1 925 148 87 GLU N N 118.6800 0.2 1 926 149 88 GLU H H 7.8030 0.02 1 927 149 88 GLU HA H 4.0670 0.02 1 928 149 88 GLU HB2 H 2.1920 0.02 2 929 149 88 GLU HB3 H 2.2730 0.02 2 930 149 88 GLU HG2 H 2.0720 0.02 2 931 149 88 GLU HG3 H 2.4350 0.02 2 932 149 88 GLU C C 178.1200 0.3 1 933 149 88 GLU CA C 59.6600 0.3 1 934 149 88 GLU CB C 29.7460 0.3 1 935 149 88 GLU CG C 36.4200 0.3 1 936 149 88 GLU N N 121.9160 0.2 1 937 150 89 HIS H H 7.7180 0.02 1 938 150 89 HIS HA H 4.1300 0.02 1 939 150 89 HIS HB2 H 2.6910 0.02 2 940 150 89 HIS HB3 H 3.0240 0.02 2 941 150 89 HIS HD2 H 6.9260 0.02 1 942 150 89 HIS HE1 H 7.8400 0.02 1 943 150 89 HIS C C 179.5400 0.3 1 944 150 89 HIS CA C 60.5340 0.3 1 945 150 89 HIS CB C 30.8350 0.3 1 946 150 89 HIS CD2 C 118.1200 0.3 1 947 150 89 HIS CE1 C 139.7200 0.3 1 948 150 89 HIS N N 118.4270 0.2 1 949 151 90 ILE H H 8.4970 0.02 1 950 151 90 ILE HA H 3.4760 0.02 1 951 151 90 ILE HB H 1.6630 0.02 1 952 151 90 ILE HG12 H 1.8250 0.02 2 953 151 90 ILE HG13 H 1.8250 0.02 2 954 151 90 ILE HG2 H 0.7000 0.02 1 955 151 90 ILE HD1 H 0.7030 0.02 1 956 151 90 ILE C C 179.4400 0.3 1 957 151 90 ILE CA C 65.3060 0.3 1 958 151 90 ILE CB C 38.3770 0.3 1 959 151 90 ILE CG1 C 28.9800 0.3 1 960 151 90 ILE CG2 C 17.0070 0.3 1 961 151 90 ILE CD1 C 14.8800 0.3 1 962 151 90 ILE N N 121.2410 0.2 1 963 152 91 LYS H H 8.2420 0.02 1 964 152 91 LYS HA H 3.9370 0.02 1 965 152 91 LYS HB2 H 1.9960 0.02 2 966 152 91 LYS HB3 H 1.9960 0.02 2 967 152 91 LYS HG2 H 1.5250 0.02 2 968 152 91 LYS HG3 H 1.3740 0.02 2 969 152 91 LYS HD2 H 1.6750 0.02 2 970 152 91 LYS HD3 H 1.6750 0.02 2 971 152 91 LYS HE2 H 2.9500 0.02 2 972 152 91 LYS HE3 H 2.9500 0.02 2 973 152 91 LYS C C 178.5100 0.3 1 974 152 91 LYS CA C 59.7710 0.3 1 975 152 91 LYS CB C 32.2740 0.3 1 976 152 91 LYS CG C 25.1500 0.3 1 977 152 91 LYS CD C 29.4100 0.3 1 978 152 91 LYS CE C 42.2800 0.3 1 979 152 91 LYS N N 122.0460 0.2 1 980 153 92 VAL H H 7.8460 0.02 1 981 153 92 VAL HA H 3.8460 0.02 1 982 153 92 VAL HB H 2.0540 0.02 1 983 153 92 VAL HG1 H 1.0550 0.02 2 984 153 92 VAL HG2 H 0.9100 0.02 2 985 153 92 VAL C C 178.2700 0.3 1 986 153 92 VAL CA C 65.3310 0.3 1 987 153 92 VAL CB C 32.5690 0.3 1 988 153 92 VAL CG1 C 22.0740 0.3 2 989 153 92 VAL CG2 C 22.0740 0.3 2 990 153 92 VAL N N 115.7040 0.2 1 991 154 93 THR H H 8.1220 0.02 1 992 154 93 THR HA H 4.3970 0.02 1 993 154 93 THR HB H 4.0330 0.02 1 994 154 93 THR HG2 H 0.9220 0.02 1 995 154 93 THR C C 176.5800 0.3 1 996 154 93 THR CA C 62.7420 0.3 1 997 154 93 THR CB C 71.6950 0.3 1 998 154 93 THR CG2 C 21.4140 0.3 1 999 154 93 THR N N 107.8000 0.2 1 1000 155 94 GLY H H 8.5810 0.02 1 1001 155 94 GLY HA2 H 4.1750 0.02 2 1002 155 94 GLY HA3 H 3.8200 0.02 2 1003 155 94 GLY C C 173.8900 0.3 1 1004 155 94 GLY CA C 45.7250 0.3 1 1005 155 94 GLY N N 112.5470 0.2 1 1006 156 95 LYS H H 8.0100 0.02 1 1007 156 95 LYS HA H 4.6110 0.02 1 1008 156 95 LYS HB2 H 1.7520 0.02 2 1009 156 95 LYS HB3 H 1.6000 0.02 2 1010 156 95 LYS HG2 H 1.2860 0.02 2 1011 156 95 LYS HG3 H 1.2860 0.02 2 1012 156 95 LYS HD2 H 1.6940 0.02 2 1013 156 95 LYS HD3 H 1.6940 0.02 2 1014 156 95 LYS HE2 H 2.9800 0.02 2 1015 156 95 LYS HE3 H 2.9800 0.02 2 1016 156 95 LYS C C 173.8500 0.3 1 1017 156 95 LYS CA C 54.9930 0.3 1 1018 156 95 LYS CB C 35.5690 0.3 1 1019 156 95 LYS CG C 24.5000 0.3 1 1020 156 95 LYS CD C 29.4070 0.3 1 1021 156 95 LYS CE C 42.3660 0.3 1 1022 156 95 LYS N N 120.5640 0.2 1 1023 157 96 VAL H H 7.9640 0.02 1 1024 157 96 VAL HA H 4.1190 0.02 1 1025 157 96 VAL HB H 1.9080 0.02 1 1026 157 96 VAL HG1 H 0.9390 0.02 2 1027 157 96 VAL HG2 H 0.9390 0.02 2 1028 157 96 VAL CA C 59.8000 0.3 1 1029 157 96 VAL CB C 33.0090 0.3 1 1030 157 96 VAL CG1 C 20.8520 0.3 2 1031 157 96 VAL CG2 C 20.8520 0.3 2 1032 157 96 VAL N N 118.5770 0.2 1 1033 159 98 PRO HA H 4.1670 0.02 1 1034 159 98 PRO HB2 H 2.1720 0.02 2 1035 159 98 PRO HB3 H 2.4680 0.02 2 1036 159 98 PRO HG2 H 2.1800 0.02 2 1037 159 98 PRO HG3 H 2.2500 0.02 2 1038 159 98 PRO HD2 H 3.8470 0.02 2 1039 159 98 PRO HD3 H 3.8470 0.02 2 1040 159 98 PRO C C 179.5500 0.3 1 1041 159 98 PRO CA C 65.5730 0.3 1 1042 159 98 PRO CB C 31.8110 0.3 1 1043 159 98 PRO CG C 27.7030 0.3 1 1044 159 98 PRO CD C 50.6950 0.3 1 1045 160 99 GLY H H 9.1570 0.02 1 1046 160 99 GLY HA2 H 3.7680 0.02 2 1047 160 99 GLY HA3 H 4.3200 0.02 2 1048 160 99 GLY C C 174.5200 0.3 1 1049 160 99 GLY CA C 46.5260 0.3 1 1050 160 99 GLY N N 103.4950 0.2 1 1051 161 100 ASN H H 8.4270 0.02 1 1052 161 100 ASN HA H 5.2310 0.02 1 1053 161 100 ASN HB2 H 3.2510 0.02 2 1054 161 100 ASN HB3 H 2.3350 0.02 2 1055 161 100 ASN HD21 H 7.4120 0.02 2 1056 161 100 ASN HD22 H 8.3210 0.02 2 1057 161 100 ASN C C 174.1700 0.3 1 1058 161 100 ASN CA C 54.8040 0.3 1 1059 161 100 ASN CB C 41.0530 0.3 1 1060 161 100 ASN N N 117.1070 0.2 1 1061 161 100 ASN ND2 N 108.6500 0.2 1 1062 162 101 LYS H H 7.4920 0.02 1 1063 162 101 LYS HA H 4.3310 0.02 1 1064 162 101 LYS HB2 H 1.9460 0.02 2 1065 162 101 LYS HB3 H 1.9460 0.02 2 1066 162 101 LYS HG2 H 1.4640 0.02 2 1067 162 101 LYS HG3 H 1.4640 0.02 2 1068 162 101 LYS HD2 H 1.7570 0.02 2 1069 162 101 LYS HD3 H 1.7570 0.02 2 1070 162 101 LYS HE2 H 3.0710 0.02 2 1071 162 101 LYS HE3 H 3.0710 0.02 2 1072 162 101 LYS CA C 56.8260 0.3 1 1073 162 101 LYS CB C 33.3730 0.3 1 1074 162 101 LYS CG C 25.1500 0.3 1 1075 162 101 LYS CD C 29.3000 0.3 1 1076 162 101 LYS CE C 42.2000 0.3 1 1077 162 101 LYS N N 121.2800 0.2 1 1078 164 103 GLY HA2 H 4.2630 0.02 2 1079 164 103 GLY HA3 H 3.7530 0.02 2 1080 164 103 GLY C C 173.4900 0.3 1 1081 164 103 GLY CA C 45.3120 0.3 1 1082 165 104 ASN H H 7.8030 0.02 1 1083 165 104 ASN HA H 4.8360 0.02 1 1084 165 104 ASN HB2 H 3.3220 0.02 2 1085 165 104 ASN HB3 H 2.7470 0.02 2 1086 165 104 ASN HD21 H 7.4500 0.02 2 1087 165 104 ASN HD22 H 7.5100 0.02 2 1088 165 104 ASN CA C 52.7060 0.3 1 1089 165 104 ASN CB C 39.2620 0.3 1 1090 165 104 ASN N N 118.4100 0.2 1 1091 165 104 ASN ND2 N 113.6200 0.2 1 1092 166 105 ASN HA H 5.1720 0.02 1 1093 166 105 ASN HB2 H 2.7680 0.02 2 1094 166 105 ASN HB3 H 2.9210 0.02 2 1095 166 105 ASN HD21 H 6.8960 0.02 2 1096 166 105 ASN HD22 H 7.5320 0.02 2 1097 166 105 ASN C C 175.9600 0.3 1 1098 166 105 ASN CA C 52.7980 0.3 1 1099 166 105 ASN CB C 39.2320 0.3 1 1100 166 105 ASN ND2 N 112.0900 0.2 1 1101 167 106 THR H H 8.1910 0.02 1 1102 167 106 THR HA H 3.6630 0.02 1 1103 167 106 THR HB H 3.8780 0.02 1 1104 167 106 THR HG2 H 0.8780 0.02 1 1105 167 106 THR C C 174.8100 0.3 1 1106 167 106 THR CA C 66.1450 0.3 1 1107 167 106 THR CB C 69.2910 0.3 1 1108 167 106 THR CG2 C 22.5000 0.3 1 1109 167 106 THR N N 114.7550 0.2 1 1110 168 107 PHE H H 8.8010 0.02 1 1111 168 107 PHE HA H 4.0410 0.02 1 1112 168 107 PHE HB2 H 1.3150 0.02 2 1113 168 107 PHE HB3 H 1.5980 0.02 2 1114 168 107 PHE HD1 H 6.1180 0.02 3 1115 168 107 PHE HD2 H 6.1180 0.02 3 1116 168 107 PHE HE1 H 6.9640 0.02 3 1117 168 107 PHE HE2 H 6.9640 0.02 3 1118 168 107 PHE HZ H 6.9550 0.02 1 1119 168 107 PHE C C 175.8000 0.3 1 1120 168 107 PHE CA C 59.0430 0.3 1 1121 168 107 PHE CB C 38.5290 0.3 1 1122 168 107 PHE CD1 C 131.6000 0.3 3 1123 168 107 PHE CD2 C 131.6000 0.3 3 1124 168 107 PHE CE1 C 131.0560 0.3 3 1125 168 107 PHE CE2 C 131.0560 0.3 3 1126 168 107 PHE CZ C 129.3170 0.3 1 1127 168 107 PHE N N 117.7310 0.2 1 1128 169 108 VAL H H 7.7350 0.02 1 1129 169 108 VAL HA H 4.1220 0.02 1 1130 169 108 VAL HB H 2.1680 0.02 1 1131 169 108 VAL HG1 H 1.0720 0.02 2 1132 169 108 VAL HG2 H 1.0720 0.02 2 1133 169 108 VAL C C 175.6300 0.3 1 1134 169 108 VAL CA C 62.3190 0.3 1 1135 169 108 VAL CB C 33.2670 0.3 1 1136 169 108 VAL CG1 C 21.2640 0.3 2 1137 169 108 VAL CG2 C 21.2640 0.3 2 1138 169 108 VAL N N 116.8400 0.2 1 1139 170 109 LYS H H 8.0190 0.02 1 1140 170 109 LYS HA H 4.3690 0.02 1 1141 170 109 LYS HB2 H 1.8260 0.02 2 1142 170 109 LYS HB3 H 1.8260 0.02 2 1143 170 109 LYS HG2 H 1.3850 0.02 2 1144 170 109 LYS HG3 H 1.3850 0.02 2 1145 170 109 LYS HD2 H 1.6640 0.02 2 1146 170 109 LYS HD3 H 1.6640 0.02 2 1147 170 109 LYS HE2 H 2.9500 0.02 2 1148 170 109 LYS HE3 H 2.9500 0.02 2 1149 170 109 LYS C C 176.8100 0.3 1 1150 170 109 LYS CA C 56.7100 0.3 1 1151 170 109 LYS CB C 32.7370 0.3 1 1152 170 109 LYS CG C 24.7000 0.3 1 1153 170 109 LYS CD C 29.3000 0.3 1 1154 170 109 LYS CE C 42.4000 0.3 1 1155 170 109 LYS N N 122.1380 0.2 1 1156 171 110 VAL H H 7.8910 0.02 1 1157 171 110 VAL HA H 4.1820 0.02 1 1158 171 110 VAL HB H 2.0890 0.02 1 1159 171 110 VAL HG1 H 0.8670 0.02 2 1160 171 110 VAL HG2 H 0.8670 0.02 2 1161 171 110 VAL C C 176.2300 0.3 1 1162 171 110 VAL CA C 62.2380 0.3 1 1163 171 110 VAL CB C 32.6380 0.3 1 1164 171 110 VAL CG1 C 21.0700 0.3 2 1165 171 110 VAL CG2 C 21.0700 0.3 2 1166 171 110 VAL N N 119.8300 0.2 1 1167 172 111 THR H H 8.1670 0.02 1 1168 172 111 THR HA H 4.3670 0.02 1 1169 172 111 THR HB H 4.2730 0.02 1 1170 172 111 THR HG2 H 1.2520 0.02 1 1171 172 111 THR C C 174.5300 0.3 1 1172 172 111 THR CA C 61.8310 0.3 1 1173 172 111 THR CB C 69.8180 0.3 1 1174 172 111 THR CG2 C 21.8400 0.3 1 1175 172 111 THR N N 117.6530 0.2 1 1176 173 112 LEU H H 8.2380 0.02 1 1177 173 112 LEU HA H 4.3010 0.02 1 1178 173 112 LEU HB2 H 1.4780 0.02 2 1179 173 112 LEU HB3 H 1.5770 0.02 2 1180 173 112 LEU HG H 1.5820 0.02 1 1181 173 112 LEU HD1 H 0.8480 0.02 2 1182 173 112 LEU HD2 H 0.7850 0.02 2 1183 173 112 LEU C C 177.2800 0.3 1 1184 173 112 LEU CA C 55.2560 0.3 1 1185 173 112 LEU CB C 42.2560 0.3 1 1186 173 112 LEU CG C 27.0900 0.3 1 1187 173 112 LEU CD1 C 25.0400 0.3 2 1188 173 112 LEU CD2 C 23.4700 0.3 2 1189 173 112 LEU N N 124.1550 0.2 1 1190 174 113 GLU H H 8.2840 0.02 1 1191 174 113 GLU HA H 4.1740 0.02 1 1192 174 113 GLU HB2 H 1.8650 0.02 2 1193 174 113 GLU HB3 H 1.8650 0.02 2 1194 174 113 GLU HG2 H 2.1370 0.02 2 1195 174 113 GLU HG3 H 2.1370 0.02 2 1196 174 113 GLU C C 176.2500 0.3 1 1197 174 113 GLU CA C 56.6610 0.3 1 1198 174 113 GLU CB C 30.3470 0.3 1 1199 174 113 GLU CG C 36.4380 0.3 1 1200 174 113 GLU N N 120.7360 0.2 1 1201 175 114 HIS H H 8.2000 0.02 1 1202 175 114 HIS HA H 4.5210 0.02 1 1203 175 114 HIS HB2 H 2.9360 0.02 2 1204 175 114 HIS HB3 H 2.9360 0.02 2 1205 175 114 HIS C C 175.0400 0.3 1 1206 175 114 HIS CA C 56.2940 0.3 1 1207 175 114 HIS CB C 30.8720 0.3 1 1208 175 114 HIS N N 119.7820 0.2 1 1209 176 115 HIS H H 8.2650 0.02 1 1210 176 115 HIS HA H 4.1670 0.02 1 1211 176 115 HIS HB2 H 1.8520 0.02 2 1212 176 115 HIS HB3 H 2.1430 0.02 2 1213 176 115 HIS CA C 56.2110 0.3 1 1214 176 115 HIS CB C 30.8290 0.3 1 1215 176 115 HIS N N 120.7250 0.2 1 1216 180 119 HIS H H 7.9890 0.02 1 1217 180 119 HIS CA C 57.6980 0.3 1 1218 180 119 HIS CB C 30.7600 0.3 1 1219 180 119 HIS N N 125.7310 0.2 1 stop_ save_