data_16260 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of FK506 binding domain from Plasmodium vivax ; _BMRB_accession_number 16260 _BMRB_flat_file_name bmr16260.str _Entry_type original _Submission_date 2009-04-19 _Accession_date 2009-04-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Alag Reema . . 2 Yoon 'Ho Sup' . . 3 Shin Joon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 728 "13C chemical shifts" 497 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-03 update BMRB 'edit assembly name' 2009-11-25 update BMRB 'complete entry citation' 2009-10-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignments of the FK506-binding domain of FK506-binding protein 35 from Plasmodium vivax' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19774494 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Alag Reema . . 2 Shin Joon . . 3 Yoon 'Ho Sup' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 243 _Page_last 245 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PvFKBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Domain $PvFKBD 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_PvFKBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PvFKBD _Molecular_mass 13971.799 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; MEQETLEQVHLTEDGGVVKT ILRKGEGGEENAPKKGNEVT VHYVGKLESSGKVFDSSRER NVPFKFHLGQGEVIKGWDIC VASMTKNEKCSVRLDSKYGY GEEGCGESIPGNSVLIFEIE LISFRE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLN 4 GLU 5 THR 6 LEU 7 GLU 8 GLN 9 VAL 10 HIS 11 LEU 12 THR 13 GLU 14 ASP 15 GLY 16 GLY 17 VAL 18 VAL 19 LYS 20 THR 21 ILE 22 LEU 23 ARG 24 LYS 25 GLY 26 GLU 27 GLY 28 GLY 29 GLU 30 GLU 31 ASN 32 ALA 33 PRO 34 LYS 35 LYS 36 GLY 37 ASN 38 GLU 39 VAL 40 THR 41 VAL 42 HIS 43 TYR 44 VAL 45 GLY 46 LYS 47 LEU 48 GLU 49 SER 50 SER 51 GLY 52 LYS 53 VAL 54 PHE 55 ASP 56 SER 57 SER 58 ARG 59 GLU 60 ARG 61 ASN 62 VAL 63 PRO 64 PHE 65 LYS 66 PHE 67 HIS 68 LEU 69 GLY 70 GLN 71 GLY 72 GLU 73 VAL 74 ILE 75 LYS 76 GLY 77 TRP 78 ASP 79 ILE 80 CYS 81 VAL 82 ALA 83 SER 84 MET 85 THR 86 LYS 87 ASN 88 GLU 89 LYS 90 CYS 91 SER 92 VAL 93 ARG 94 LEU 95 ASP 96 SER 97 LYS 98 TYR 99 GLY 100 TYR 101 GLY 102 GLU 103 GLU 104 GLY 105 CYS 106 GLY 107 GLU 108 SER 109 ILE 110 PRO 111 GLY 112 ASN 113 SER 114 VAL 115 LEU 116 ILE 117 PHE 118 GLU 119 ILE 120 GLU 121 LEU 122 ILE 123 SER 124 PHE 125 ARG 126 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 2KI3 "Structural And Biochemical Characterization Of Fk506 Binding Domain From Plasmodium Vivax" 100.00 126 100.00 100.00 3.93e-84 PDB 3IHZ "Crystal Structure Of The Fk506 Binding Domain Of Plasmodium Vivax Fkbp35 In Complex With Fk506" 100.00 126 100.00 100.00 3.93e-84 PDB 3NI6 "Crystal Structure Of The Fk506 Binding Domain Of Plasmodium Vivax Fkbp35" 100.00 126 100.00 100.00 3.93e-84 PDB 3PA7 "Crystal Structure Of Fkbp From Plasmodium Vivax In Complex With Tetrapeptide Alpf" 100.00 126 100.00 100.00 3.93e-84 PDB 4ITZ "Crystal Structure Of The Fk506 Binding Domain Of Plasmodium Vivax Fkbp35 In Complex With A Tetrapeptide Substrate" 100.00 126 100.00 100.00 3.93e-84 PDB 4J4O "Crystal Structure Of Fk506 Binding Domain Of Plasmodium Vivax Fkbp35 In Complex With D44" 100.00 126 100.00 100.00 3.93e-84 PDB 4MGV "Crystal Structure Of Fk506 Binding Domain Of Plasmodium Vivax Fkbp35 In Complex With Inhibitor D5" 100.00 126 100.00 100.00 3.93e-84 GB EDL44272 "70 kDa peptidylprolyl isomerase, putative [Plasmodium vivax]" 100.00 302 100.00 100.00 7.48e-84 GB KMZ77558 "peptidylprolyl isomerase [Plasmodium vivax India VII]" 100.00 302 100.00 100.00 7.48e-84 GB KMZ84718 "peptidylprolyl isomerase [Plasmodium vivax Brazil I]" 100.00 302 100.00 100.00 7.48e-84 GB KMZ89996 "peptidylprolyl isomerase [Plasmodium vivax Mauritania I]" 100.00 302 100.00 100.00 7.48e-84 GB KMZ96554 "peptidylprolyl isomerase [Plasmodium vivax North Korean]" 100.00 302 100.00 100.00 7.48e-84 REF XP_001613999 "70 kDa peptidylprolyl isomerase [Plasmodium vivax Sal-1]" 100.00 302 100.00 100.00 7.48e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PvFKBD 'malaria parasite' . Eukaryota Alveolata Plasmodium vivax 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 $PvFKBD 'recombinant technology' . Escherichia coli . pSUMO 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 $PvFKBD 0.5 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.01 % '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 $PvFKBD 0.5 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_HNCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . 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' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNCACO' '3D HNHA' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Domain _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 GLU HA H 4.264 0.020 1 2 2 2 GLU CA C 57.285 0.400 1 3 2 2 GLU CB C 31.010 0.400 1 4 2 2 GLU CG C 36.896 0.400 1 5 3 3 GLN H H 8.479 0.020 1 6 3 3 GLN HA H 4.226 0.020 1 7 3 3 GLN HB2 H 1.998 0.020 2 8 3 3 GLN HB3 H 1.905 0.020 2 9 3 3 GLN HG2 H 2.267 0.020 2 10 3 3 GLN HG3 H 2.267 0.020 2 11 3 3 GLN CA C 56.735 0.400 1 12 3 3 GLN CB C 30.423 0.400 1 13 3 3 GLN CG C 34.569 0.400 1 14 3 3 GLN N N 121.673 0.400 1 15 4 4 GLU H H 8.499 0.020 1 16 4 4 GLU HA H 4.249 0.020 1 17 4 4 GLU HB2 H 1.960 0.020 2 18 4 4 GLU HB3 H 1.851 0.020 2 19 4 4 GLU HG2 H 2.176 0.020 2 20 4 4 GLU HG3 H 2.176 0.020 2 21 4 4 GLU C C 174.477 0.400 1 22 4 4 GLU CA C 57.541 0.400 1 23 4 4 GLU CB C 31.273 0.400 1 24 4 4 GLU CG C 37.164 0.400 1 25 4 4 GLU N N 122.993 0.400 1 26 5 5 THR H H 8.230 0.020 1 27 5 5 THR HA H 4.219 0.020 1 28 5 5 THR HB H 4.051 0.020 1 29 5 5 THR HG2 H 1.098 0.020 1 30 5 5 THR C C 172.200 0.400 1 31 5 5 THR CA C 62.691 0.400 1 32 5 5 THR CB C 70.642 0.400 1 33 5 5 THR CG2 C 22.300 0.400 1 34 5 5 THR N N 116.606 0.400 1 35 6 6 LEU H H 8.241 0.020 1 36 6 6 LEU HA H 4.350 0.020 1 37 6 6 LEU HB2 H 1.534 0.020 2 38 6 6 LEU HB3 H 1.394 0.020 2 39 6 6 LEU HD1 H 0.790 0.020 2 40 6 6 LEU HD2 H 0.804 0.020 2 41 6 6 LEU HG H 1.521 0.020 1 42 6 6 LEU C C 174.771 0.400 1 43 6 6 LEU CA C 55.442 0.400 1 44 6 6 LEU CB C 43.015 0.400 1 45 6 6 LEU CD1 C 26.356 0.400 1 46 6 6 LEU CD2 C 23.832 0.400 1 47 6 6 LEU CG C 27.933 0.400 1 48 6 6 LEU N N 125.283 0.400 1 49 7 7 GLU H H 8.513 0.020 1 50 7 7 GLU HA H 4.151 0.020 1 51 7 7 GLU HB2 H 1.883 0.020 2 52 7 7 GLU HB3 H 1.883 0.020 2 53 7 7 GLU HG2 H 2.179 0.020 2 54 7 7 GLU HG3 H 2.042 0.020 2 55 7 7 GLU C C 173.178 0.400 1 56 7 7 GLU CA C 57.549 0.400 1 57 7 7 GLU CB C 31.700 0.400 1 58 7 7 GLU CG C 37.143 0.400 1 59 7 7 GLU N N 123.485 0.400 1 60 8 8 GLN H H 8.351 0.020 1 61 8 8 GLN HA H 5.048 0.020 1 62 8 8 GLN HB2 H 1.853 0.020 2 63 8 8 GLN HB3 H 1.674 0.020 2 64 8 8 GLN HE21 H 7.311 0.020 2 65 8 8 GLN HE22 H 6.740 0.020 2 66 8 8 GLN HG2 H 2.183 0.020 2 67 8 8 GLN HG3 H 2.095 0.020 2 68 8 8 GLN C C 173.526 0.400 1 69 8 8 GLN CA C 55.592 0.400 1 70 8 8 GLN CB C 32.294 0.400 1 71 8 8 GLN CG C 35.396 0.400 1 72 8 8 GLN N N 123.062 0.400 1 73 8 8 GLN NE2 N 112.122 0.400 1 74 9 9 VAL H H 9.321 0.020 1 75 9 9 VAL HA H 4.328 0.020 1 76 9 9 VAL HB H 1.913 0.020 1 77 9 9 VAL HG1 H 0.848 0.020 2 78 9 9 VAL HG2 H 0.857 0.020 2 79 9 9 VAL C C 173.649 0.400 1 80 9 9 VAL CA C 61.962 0.400 1 81 9 9 VAL CB C 35.553 0.400 1 82 9 9 VAL CG1 C 22.252 0.400 1 83 9 9 VAL CG2 C 21.153 0.400 1 84 9 9 VAL N N 123.513 0.400 1 85 10 10 HIS H H 9.432 0.020 1 86 10 10 HIS HA H 4.548 0.020 1 87 10 10 HIS HB2 H 3.158 0.020 2 88 10 10 HIS HB3 H 3.103 0.020 2 89 10 10 HIS HD2 H 6.867 0.020 1 90 10 10 HIS HE1 H 7.790 0.020 1 91 10 10 HIS C C 173.602 0.400 1 92 10 10 HIS CA C 57.780 0.400 1 93 10 10 HIS CB C 30.748 0.400 1 94 10 10 HIS N N 128.907 0.400 1 95 11 11 LEU H H 8.242 0.020 1 96 11 11 LEU HA H 4.345 0.020 1 97 11 11 LEU HB2 H 1.514 0.020 2 98 11 11 LEU HB3 H 1.352 0.020 2 99 11 11 LEU HD1 H 0.810 0.020 2 100 11 11 LEU C C 174.156 0.400 1 101 11 11 LEU CA C 55.838 0.400 1 102 11 11 LEU CB C 43.318 0.400 1 103 11 11 LEU CD1 C 28.180 0.400 1 104 11 11 LEU CD2 C 23.827 0.400 1 105 11 11 LEU N N 123.670 0.400 1 106 12 12 THR H H 7.355 0.020 1 107 12 12 THR HA H 4.580 0.020 1 108 12 12 THR HB H 4.268 0.020 1 109 12 12 THR HG2 H 0.827 0.020 1 110 12 12 THR C C 173.588 0.400 1 111 12 12 THR CA C 60.446 0.400 1 112 12 12 THR CB C 72.018 0.400 1 113 12 12 THR CG2 C 23.900 0.400 1 114 12 12 THR N N 106.674 0.400 1 115 13 13 GLU H H 9.002 0.020 1 116 13 13 GLU HA H 4.205 0.020 1 117 13 13 GLU HB2 H 2.114 0.020 2 118 13 13 GLU HB3 H 1.913 0.020 2 119 13 13 GLU HG2 H 2.213 0.020 2 120 13 13 GLU HG3 H 2.213 0.020 2 121 13 13 GLU C C 174.334 0.400 1 122 13 13 GLU CA C 58.821 0.400 1 123 13 13 GLU CB C 30.325 0.400 1 124 13 13 GLU CG C 37.283 0.400 1 125 13 13 GLU N N 120.905 0.400 1 126 14 14 ASP H H 7.561 0.020 1 127 14 14 ASP HA H 4.560 0.020 1 128 14 14 ASP HB2 H 3.176 0.020 2 129 14 14 ASP HB3 H 2.591 0.020 2 130 14 14 ASP C C 175.708 0.400 1 131 14 14 ASP CA C 53.814 0.400 1 132 14 14 ASP CB C 42.128 0.400 1 133 14 14 ASP N N 115.790 0.400 1 134 15 15 GLY H H 7.987 0.020 1 135 15 15 GLY HA2 H 4.020 0.020 2 136 15 15 GLY HA3 H 3.648 0.020 2 137 15 15 GLY C C 173.602 0.400 1 138 15 15 GLY CA C 46.753 0.400 1 139 15 15 GLY N N 109.096 0.400 1 140 16 16 GLY H H 8.544 0.020 1 141 16 16 GLY HA2 H 3.984 0.020 2 142 16 16 GLY HA3 H 3.656 0.020 2 143 16 16 GLY C C 170.505 0.400 1 144 16 16 GLY CA C 47.728 0.400 1 145 16 16 GLY N N 107.706 0.400 1 146 17 17 VAL H H 6.821 0.020 1 147 17 17 VAL HA H 4.481 0.020 1 148 17 17 VAL HB H 1.728 0.020 1 149 17 17 VAL HG1 H 0.001 0.020 2 150 17 17 VAL HG2 H 0.490 0.020 2 151 17 17 VAL C C 172.685 0.400 1 152 17 17 VAL CA C 62.731 0.400 1 153 17 17 VAL CB C 33.629 0.400 1 154 17 17 VAL CG1 C 21.732 0.400 1 155 17 17 VAL CG2 C 23.083 0.400 1 156 17 17 VAL N N 116.910 0.400 1 157 18 18 VAL H H 7.863 0.020 1 158 18 18 VAL HA H 4.483 0.020 1 159 18 18 VAL HB H 1.706 0.020 1 160 18 18 VAL HG1 H 0.263 0.020 2 161 18 18 VAL HG2 H 0.440 0.020 2 162 18 18 VAL C C 173.157 0.400 1 163 18 18 VAL CA C 62.530 0.400 1 164 18 18 VAL CB C 35.155 0.400 1 165 18 18 VAL CG1 C 20.915 0.400 1 166 18 18 VAL CG2 C 21.758 0.400 1 167 18 18 VAL N N 126.606 0.400 1 168 19 19 LYS H H 9.411 0.020 1 169 19 19 LYS HA H 4.914 0.020 1 170 19 19 LYS HB2 H 1.795 0.020 2 171 19 19 LYS HB3 H 1.354 0.020 2 172 19 19 LYS HD2 H 1.665 0.020 2 173 19 19 LYS HD3 H 1.574 0.020 2 174 19 19 LYS HE2 H 2.659 0.020 2 175 19 19 LYS HE3 H 2.347 0.020 2 176 19 19 LYS HG2 H 1.448 0.020 2 177 19 19 LYS HG3 H 0.939 0.020 2 178 19 19 LYS C C 171.851 0.400 1 179 19 19 LYS CA C 56.337 0.400 1 180 19 19 LYS CB C 36.607 0.400 1 181 19 19 LYS CD C 29.680 0.400 1 182 19 19 LYS CE C 42.934 0.400 1 183 19 19 LYS CG C 27.664 0.400 1 184 19 19 LYS N N 132.507 0.400 1 185 20 20 THR H H 9.737 0.020 1 186 20 20 THR HA H 4.870 0.020 1 187 20 20 THR HB H 4.013 0.020 1 188 20 20 THR HG2 H 0.992 0.020 1 189 20 20 THR C C 172.536 0.400 1 190 20 20 THR CA C 62.719 0.400 1 191 20 20 THR CB C 71.036 0.400 1 192 20 20 THR CG2 C 22.307 0.400 1 193 20 20 THR N N 124.994 0.400 1 194 21 21 ILE H H 9.166 0.020 1 195 21 21 ILE HA H 3.606 0.020 1 196 21 21 ILE HB H 1.801 0.020 1 197 21 21 ILE HD1 H 0.751 0.020 1 198 21 21 ILE HG12 H 1.463 0.020 2 199 21 21 ILE HG13 H 0.891 0.020 2 200 21 21 ILE HG2 H 0.692 0.020 1 201 21 21 ILE C C 172.385 0.400 1 202 21 21 ILE CA C 64.974 0.400 1 203 21 21 ILE CB C 38.326 0.400 1 204 21 21 ILE CD1 C 13.835 0.400 1 205 21 21 ILE CG1 C 29.632 0.400 1 206 21 21 ILE CG2 C 18.185 0.400 1 207 21 21 ILE N N 128.907 0.400 1 208 22 22 LEU H H 8.427 0.020 1 209 22 22 LEU HA H 4.346 0.020 1 210 22 22 LEU HB2 H 1.445 0.020 2 211 22 22 LEU HB3 H 1.138 0.020 2 212 22 22 LEU HD1 H 0.688 0.020 2 213 22 22 LEU HD2 H 0.686 0.020 2 214 22 22 LEU HG H 1.471 0.020 1 215 22 22 LEU C C 175.428 0.400 1 216 22 22 LEU CA C 56.556 0.400 1 217 22 22 LEU CB C 43.155 0.400 1 218 22 22 LEU CD1 C 26.647 0.400 1 219 22 22 LEU CD2 C 22.796 0.400 1 220 22 22 LEU CG C 28.280 0.400 1 221 22 22 LEU N N 128.584 0.400 1 222 23 23 ARG H H 8.072 0.020 1 223 23 23 ARG HA H 4.339 0.020 1 224 23 23 ARG HB2 H 1.621 0.020 2 225 23 23 ARG HB3 H 1.621 0.020 2 226 23 23 ARG HD2 H 3.246 0.020 2 227 23 23 ARG HD3 H 3.107 0.020 2 228 23 23 ARG HG2 H 1.656 0.020 2 229 23 23 ARG HG3 H 1.498 0.020 2 230 23 23 ARG C C 172.542 0.400 1 231 23 23 ARG CA C 56.519 0.400 1 232 23 23 ARG CB C 34.569 0.400 1 233 23 23 ARG CD C 44.610 0.400 1 234 23 23 ARG CG C 27.477 0.400 1 235 23 23 ARG N N 120.691 0.400 1 236 24 24 LYS H H 8.820 0.020 1 237 24 24 LYS HA H 3.893 0.020 1 238 24 24 LYS HB2 H 1.781 0.020 2 239 24 24 LYS HB3 H 1.670 0.020 2 240 24 24 LYS HD2 H 1.639 0.020 2 241 24 24 LYS HD3 H 1.639 0.020 2 242 24 24 LYS HE2 H 2.916 0.020 2 243 24 24 LYS HE3 H 2.916 0.020 2 244 24 24 LYS HG2 H 1.489 0.020 2 245 24 24 LYS HG3 H 1.489 0.020 2 246 24 24 LYS C C 175.127 0.400 1 247 24 24 LYS CA C 58.583 0.400 1 248 24 24 LYS CB C 33.721 0.400 1 249 24 24 LYS CD C 30.268 0.400 1 250 24 24 LYS CE C 42.670 0.400 1 251 24 24 LYS CG C 26.088 0.400 1 252 24 24 LYS N N 128.406 0.400 1 253 25 25 GLY H H 8.917 0.020 1 254 25 25 GLY HA2 H 4.057 0.020 2 255 25 25 GLY HA3 H 3.630 0.020 2 256 25 25 GLY C C 172.057 0.400 1 257 25 25 GLY CA C 44.803 0.400 1 258 25 25 GLY N N 111.294 0.400 1 259 26 26 GLU H H 8.659 0.020 1 260 26 26 GLU HA H 4.107 0.020 1 261 26 26 GLU HB2 H 2.124 0.020 2 262 26 26 GLU HB3 H 1.635 0.020 2 263 26 26 GLU HG2 H 2.269 0.020 2 264 26 26 GLU HG3 H 2.269 0.020 2 265 26 26 GLU C C 176.399 0.400 1 266 26 26 GLU CA C 57.620 0.400 1 267 26 26 GLU CB C 32.195 0.400 1 268 26 26 GLU CG C 37.402 0.400 1 269 26 26 GLU N N 119.283 0.400 1 270 27 27 GLY H H 8.421 0.020 1 271 27 27 GLY HA2 H 3.991 0.020 2 272 27 27 GLY HA3 H 3.892 0.020 2 273 27 27 GLY C C 172.234 0.400 1 274 27 27 GLY CA C 45.408 0.400 1 275 27 27 GLY N N 107.399 0.400 1 276 28 28 GLY H H 8.177 0.020 1 277 28 28 GLY HA2 H 4.392 0.020 2 278 28 28 GLY HA3 H 3.697 0.020 2 279 28 28 GLY C C 173.609 0.400 1 280 28 28 GLY CA C 45.317 0.400 1 281 28 28 GLY N N 108.198 0.400 1 282 29 29 GLU H H 8.708 0.020 1 283 29 29 GLU HA H 3.887 0.020 1 284 29 29 GLU HB2 H 1.956 0.020 2 285 29 29 GLU HB3 H 1.892 0.020 2 286 29 29 GLU HG2 H 2.221 0.020 2 287 29 29 GLU HG3 H 2.221 0.020 2 288 29 29 GLU C C 176.583 0.400 1 289 29 29 GLU CA C 60.232 0.400 1 290 29 29 GLU CB C 30.366 0.400 1 291 29 29 GLU CG C 37.240 0.400 1 292 29 29 GLU N N 123.990 0.400 1 293 30 30 GLU H H 9.681 0.020 1 294 30 30 GLU HA H 4.221 0.020 1 295 30 30 GLU HB2 H 1.976 0.020 2 296 30 30 GLU HB3 H 1.947 0.020 2 297 30 30 GLU HG2 H 2.235 0.020 2 298 30 30 GLU HG3 H 2.119 0.020 2 299 30 30 GLU C C 174.600 0.400 1 300 30 30 GLU CA C 58.756 0.400 1 301 30 30 GLU CB C 28.906 0.400 1 302 30 30 GLU CG C 36.603 0.400 1 303 30 30 GLU N N 118.307 0.400 1 304 31 31 ASN H H 7.687 0.020 1 305 31 31 ASN HA H 5.109 0.020 1 306 31 31 ASN HB2 H 2.876 0.020 2 307 31 31 ASN HB3 H 2.448 0.020 2 308 31 31 ASN C C 170.457 0.400 1 309 31 31 ASN CA C 54.008 0.400 1 310 31 31 ASN CB C 40.787 0.400 1 311 31 31 ASN N N 116.310 0.400 1 312 32 32 ALA H H 7.363 0.020 1 313 32 32 ALA HA H 4.858 0.020 1 314 32 32 ALA HB H 1.204 0.020 1 315 32 32 ALA C C 171.605 0.400 1 316 32 32 ALA CA C 49.382 0.400 1 317 32 32 ALA CB C 20.660 0.400 1 318 32 32 ALA N N 125.005 0.400 1 319 33 33 PRO HA H 3.094 0.020 1 320 33 33 PRO HB2 H 1.122 0.020 2 321 33 33 PRO HB3 H 0.785 0.020 2 322 33 33 PRO HD2 H 3.748 0.020 2 323 33 33 PRO HD3 H 2.758 0.020 2 324 33 33 PRO HG2 H 1.433 0.020 2 325 33 33 PRO HG3 H 1.209 0.020 2 326 33 33 PRO CA C 62.220 0.400 1 327 33 33 PRO CB C 32.702 0.400 1 328 33 33 PRO CD C 50.470 0.400 1 329 33 33 PRO CG C 27.375 0.400 1 330 34 34 LYS H H 7.427 0.020 1 331 34 34 LYS HA H 4.284 0.020 1 332 34 34 LYS HB2 H 1.751 0.020 2 333 34 34 LYS HB3 H 1.431 0.020 2 334 34 34 LYS HD2 H 1.529 0.020 2 335 34 34 LYS HD3 H 1.529 0.020 2 336 34 34 LYS HE2 H 2.919 0.020 2 337 34 34 LYS HE3 H 2.919 0.020 2 338 34 34 LYS HG2 H 1.341 0.020 2 339 34 34 LYS HG3 H 1.257 0.020 2 340 34 34 LYS C C 173.698 0.400 1 341 34 34 LYS CA C 54.248 0.400 1 342 34 34 LYS CB C 35.815 0.400 1 343 34 34 LYS CD C 29.541 0.400 1 344 34 34 LYS CE C 43.183 0.400 1 345 34 34 LYS CG C 26.059 0.400 1 346 34 34 LYS N N 118.574 0.400 1 347 35 35 LYS H H 8.190 0.020 1 348 35 35 LYS HA H 3.483 0.020 1 349 35 35 LYS HB2 H 1.706 0.020 2 350 35 35 LYS HB3 H 1.550 0.020 2 351 35 35 LYS HD2 H 1.631 0.020 2 352 35 35 LYS HD3 H 1.573 0.020 2 353 35 35 LYS HE2 H 2.901 0.020 2 354 35 35 LYS HE3 H 2.901 0.020 2 355 35 35 LYS HG2 H 1.383 0.020 2 356 35 35 LYS HG3 H 1.222 0.020 2 357 35 35 LYS C C 174.874 0.400 1 358 35 35 LYS CA C 59.829 0.400 1 359 35 35 LYS CB C 33.083 0.400 1 360 35 35 LYS CD C 30.673 0.400 1 361 35 35 LYS CE C 42.671 0.400 1 362 35 35 LYS CG C 25.781 0.400 1 363 35 35 LYS N N 121.199 0.400 1 364 36 36 GLY H H 9.240 0.020 1 365 36 36 GLY HA2 H 4.395 0.020 2 366 36 36 GLY HA3 H 3.434 0.020 2 367 36 36 GLY C C 172.904 0.400 1 368 36 36 GLY CA C 45.691 0.400 1 369 36 36 GLY N N 114.991 0.400 1 370 37 37 ASN H H 8.339 0.020 1 371 37 37 ASN HA H 4.576 0.020 1 372 37 37 ASN HB2 H 2.696 0.020 2 373 37 37 ASN HB3 H 2.552 0.020 2 374 37 37 ASN HD21 H 7.655 0.020 2 375 37 37 ASN HD22 H 7.257 0.020 2 376 37 37 ASN C C 172.535 0.400 1 377 37 37 ASN CA C 54.475 0.400 1 378 37 37 ASN CB C 40.324 0.400 1 379 37 37 ASN N N 117.997 0.400 1 380 37 37 ASN ND2 N 112.582 0.400 1 381 38 38 GLU H H 8.481 0.020 1 382 38 38 GLU HA H 4.103 0.020 1 383 38 38 GLU HB2 H 1.881 0.020 2 384 38 38 GLU HB3 H 1.731 0.020 2 385 38 38 GLU HG2 H 1.526 0.020 2 386 38 38 GLU HG3 H 1.313 0.020 2 387 38 38 GLU C C 174.060 0.400 1 388 38 38 GLU CA C 56.792 0.400 1 389 38 38 GLU CB C 31.738 0.400 1 390 38 38 GLU CG C 38.227 0.400 1 391 38 38 GLU N N 122.487 0.400 1 392 39 39 VAL H H 9.120 0.020 1 393 39 39 VAL HA H 4.674 0.020 1 394 39 39 VAL HB H 1.534 0.020 1 395 39 39 VAL HG1 H 0.561 0.020 2 396 39 39 VAL HG2 H -0.033 0.020 2 397 39 39 VAL C C 171.277 0.400 1 398 39 39 VAL CA C 60.349 0.400 1 399 39 39 VAL CB C 33.841 0.400 1 400 39 39 VAL CG1 C 23.422 0.400 1 401 39 39 VAL CG2 C 20.322 0.400 1 402 39 39 VAL N N 126.598 0.400 1 403 40 40 THR H H 8.445 0.020 1 404 40 40 THR HA H 4.893 0.020 1 405 40 40 THR HB H 3.911 0.020 1 406 40 40 THR HG2 H 0.825 0.020 1 407 40 40 THR C C 172.563 0.400 1 408 40 40 THR CA C 62.956 0.400 1 409 40 40 THR CB C 70.383 0.400 1 410 40 40 THR CG2 C 22.503 0.400 1 411 40 40 THR N N 118.093 0.400 1 412 41 41 VAL H H 9.590 0.020 1 413 41 41 VAL HA H 5.710 0.020 1 414 41 41 VAL HB H 2.209 0.020 1 415 41 41 VAL HG1 H 0.788 0.020 2 416 41 41 VAL HG2 H 1.019 0.020 2 417 41 41 VAL C C 173.417 0.400 1 418 41 41 VAL CA C 58.669 0.400 1 419 41 41 VAL CB C 36.380 0.400 1 420 41 41 VAL CG1 C 22.497 0.400 1 421 41 41 VAL CG2 C 20.318 0.400 1 422 41 41 VAL N N 118.090 0.400 1 423 42 42 HIS H H 8.367 0.020 1 424 42 42 HIS HA H 5.602 0.020 1 425 42 42 HIS HB2 H 2.710 0.020 2 426 42 42 HIS HB3 H 2.653 0.020 2 427 42 42 HIS HD2 H 6.838 0.020 1 428 42 42 HIS C C 174.012 0.400 1 429 42 42 HIS CA C 55.612 0.400 1 430 42 42 HIS CB C 36.910 0.400 1 431 42 42 HIS N N 118.994 0.400 1 432 43 43 TYR H H 9.861 0.020 1 433 43 43 TYR HA H 6.149 0.020 1 434 43 43 TYR HB2 H 2.842 0.020 2 435 43 43 TYR HB3 H 2.589 0.020 2 436 43 43 TYR HD1 H 6.904 0.020 1 437 43 43 TYR HD2 H 6.904 0.020 1 438 43 43 TYR HE1 H 6.611 0.020 1 439 43 43 TYR HE2 H 6.611 0.020 1 440 43 43 TYR C C 171.072 0.400 1 441 43 43 TYR CA C 56.889 0.400 1 442 43 43 TYR CB C 44.483 0.400 1 443 43 43 TYR N N 117.300 0.400 1 444 44 44 VAL H H 8.569 0.020 1 445 44 44 VAL HA H 4.361 0.020 1 446 44 44 VAL HB H 1.944 0.020 1 447 44 44 VAL HG1 H 0.829 0.020 2 448 44 44 VAL HG2 H 0.922 0.020 2 449 44 44 VAL C C 173.848 0.400 1 450 44 44 VAL CA C 63.574 0.400 1 451 44 44 VAL CB C 36.825 0.400 1 452 44 44 VAL CG1 C 22.748 0.400 1 453 44 44 VAL CG2 C 21.476 0.400 1 454 44 44 VAL N N 119.487 0.400 1 455 45 45 GLY H H 9.209 0.020 1 456 45 45 GLY HA2 H 4.319 0.020 2 457 45 45 GLY HA3 H 2.289 0.020 2 458 45 45 GLY C C 173.834 0.400 1 459 45 45 GLY CA C 46.698 0.400 1 460 45 45 GLY N N 115.897 0.400 1 461 46 46 LYS H H 9.055 0.020 1 462 46 46 LYS HA H 5.202 0.020 1 463 46 46 LYS HB2 H 1.269 0.020 2 464 46 46 LYS HB3 H 1.238 0.020 2 465 46 46 LYS HD2 H 1.359 0.020 2 466 46 46 LYS HD3 H 1.359 0.020 2 467 46 46 LYS HE2 H 2.637 0.020 2 468 46 46 LYS HE3 H 2.637 0.020 2 469 46 46 LYS HG2 H 1.157 0.020 2 470 46 46 LYS HG3 H 0.872 0.020 2 471 46 46 LYS C C 173.656 0.400 1 472 46 46 LYS CA C 54.721 0.400 1 473 46 46 LYS CB C 38.051 0.400 1 474 46 46 LYS CD C 30.676 0.400 1 475 46 46 LYS CE C 42.666 0.400 1 476 46 46 LYS CG C 25.612 0.400 1 477 46 46 LYS N N 123.804 0.400 1 478 47 47 LEU H H 8.148 0.020 1 479 47 47 LEU HA H 4.631 0.020 1 480 47 47 LEU HB2 H 1.889 0.020 2 481 47 47 LEU HB3 H 1.836 0.020 2 482 47 47 LEU HD1 H 0.997 0.020 2 483 47 47 LEU HD2 H 0.828 0.020 2 484 47 47 LEU HG H 1.892 0.020 1 485 47 47 LEU C C 175.954 0.400 1 486 47 47 LEU CA C 55.133 0.400 1 487 47 47 LEU CB C 42.650 0.400 1 488 47 47 LEU CD1 C 26.646 0.400 1 489 47 47 LEU CD2 C 25.042 0.400 1 490 47 47 LEU CG C 28.400 0.400 1 491 47 47 LEU N N 122.192 0.400 1 492 48 48 GLU H H 7.874 0.020 1 493 48 48 GLU HA H 3.754 0.020 1 494 48 48 GLU HB2 H 1.676 0.020 2 495 48 48 GLU HB3 H 1.676 0.020 2 496 48 48 GLU HG2 H 2.060 0.020 2 497 48 48 GLU HG3 H 2.006 0.020 2 498 48 48 GLU C C 176.186 0.400 1 499 48 48 GLU CA C 60.691 0.400 1 500 48 48 GLU CB C 31.113 0.400 1 501 48 48 GLU CG C 38.269 0.400 1 502 48 48 GLU N N 125.200 0.400 1 503 49 49 SER H H 9.223 0.020 1 504 49 49 SER HA H 4.010 0.020 1 505 49 49 SER HB2 H 3.881 0.020 2 506 49 49 SER HB3 H 3.881 0.020 2 507 49 49 SER C C 176.268 0.400 1 508 49 49 SER CA C 61.677 0.400 1 509 49 49 SER CB C 62.745 0.400 1 510 49 49 SER N N 112.690 0.400 1 511 50 50 SER H H 6.977 0.020 1 512 50 50 SER HA H 4.644 0.020 1 513 50 50 SER HB2 H 3.935 0.020 2 514 50 50 SER HB3 H 3.728 0.020 2 515 50 50 SER C C 174.005 0.400 1 516 50 50 SER CA C 57.618 0.400 1 517 50 50 SER CB C 66.643 0.400 1 518 50 50 SER N N 110.784 0.400 1 519 51 51 GLY H H 8.173 0.020 1 520 51 51 GLY HA2 H 4.072 0.020 2 521 51 51 GLY HA3 H 3.662 0.020 2 522 51 51 GLY C C 171.287 0.400 1 523 51 51 GLY CA C 46.726 0.400 1 524 51 51 GLY N N 113.485 0.400 1 525 52 52 LYS H H 7.476 0.020 1 526 52 52 LYS HA H 4.102 0.020 1 527 52 52 LYS HB2 H 1.666 0.020 2 528 52 52 LYS HB3 H 1.666 0.020 2 529 52 52 LYS HD2 H 1.624 0.020 2 530 52 52 LYS HD3 H 1.624 0.020 2 531 52 52 LYS HE2 H 2.915 0.020 2 532 52 52 LYS HE3 H 2.915 0.020 2 533 52 52 LYS HG2 H 1.339 0.020 2 534 52 52 LYS HG3 H 1.246 0.020 2 535 52 52 LYS C C 174.491 0.400 1 536 52 52 LYS CA C 57.361 0.400 1 537 52 52 LYS CB C 34.649 0.400 1 538 52 52 LYS CD C 29.882 0.400 1 539 52 52 LYS CE C 42.999 0.400 1 540 52 52 LYS CG C 25.855 0.400 1 541 52 52 LYS N N 119.694 0.400 1 542 53 53 VAL H H 8.522 0.020 1 543 53 53 VAL HA H 4.236 0.020 1 544 53 53 VAL HB H 1.858 0.020 1 545 53 53 VAL HG1 H 0.814 0.020 2 546 53 53 VAL HG2 H 0.715 0.020 2 547 53 53 VAL C C 174.812 0.400 1 548 53 53 VAL CA C 63.165 0.400 1 549 53 53 VAL CB C 33.160 0.400 1 550 53 53 VAL CG1 C 22.725 0.400 1 551 53 53 VAL CG2 C 21.851 0.400 1 552 53 53 VAL N N 126.502 0.400 1 553 54 54 PHE H H 8.144 0.020 1 554 54 54 PHE HA H 4.950 0.020 1 555 54 54 PHE HB2 H 3.233 0.020 2 556 54 54 PHE HB3 H 2.632 0.020 2 557 54 54 PHE HD1 H 7.005 0.020 1 558 54 54 PHE HD2 H 7.005 0.020 1 559 54 54 PHE HE1 H 7.220 0.020 1 560 54 54 PHE HE2 H 7.220 0.020 1 561 54 54 PHE C C 173.007 0.400 1 562 54 54 PHE CA C 56.674 0.400 1 563 54 54 PHE CB C 41.407 0.400 1 564 54 54 PHE N N 124.484 0.400 1 565 55 55 ASP H H 6.716 0.020 1 566 55 55 ASP HA H 4.739 0.020 1 567 55 55 ASP HB2 H 3.328 0.020 2 568 55 55 ASP HB3 H 2.385 0.020 2 569 55 55 ASP C C 171.824 0.400 1 570 55 55 ASP CA C 55.858 0.400 1 571 55 55 ASP CB C 44.468 0.400 1 572 55 55 ASP N N 120.201 0.400 1 573 56 56 SER H H 8.099 0.020 1 574 56 56 SER HA H 4.867 0.020 1 575 56 56 SER HB2 H 3.818 0.020 2 576 56 56 SER HB3 H 3.549 0.020 2 577 56 56 SER C C 173.007 0.400 1 578 56 56 SER CA C 56.077 0.400 1 579 56 56 SER CB C 65.023 0.400 1 580 56 56 SER N N 119.393 0.400 1 581 57 57 SER H H 8.342 0.020 1 582 57 57 SER HA H 4.848 0.020 1 583 57 57 SER HB2 H 4.099 0.020 2 584 57 57 SER HB3 H 3.538 0.020 2 585 57 57 SER C C 172.952 0.400 1 586 57 57 SER CA C 62.273 0.400 1 587 57 57 SER CB C 62.284 0.400 1 588 57 57 SER N N 124.803 0.400 1 589 58 58 ARG H H 7.360 0.020 1 590 58 58 ARG HA H 3.576 0.020 1 591 58 58 ARG HB2 H 1.406 0.020 2 592 58 58 ARG HB3 H 1.264 0.020 2 593 58 58 ARG HD2 H 2.714 0.020 2 594 58 58 ARG HD3 H 2.667 0.020 2 595 58 58 ARG HG2 H 1.109 0.020 2 596 58 58 ARG HG3 H 0.684 0.020 2 597 58 58 ARG C C 177.287 0.400 1 598 58 58 ARG CA C 59.482 0.400 1 599 58 58 ARG CB C 29.875 0.400 1 600 58 58 ARG CD C 43.410 0.400 1 601 58 58 ARG CG C 29.300 0.400 1 602 58 58 ARG N N 122.889 0.400 1 603 59 59 GLU H H 7.562 0.020 1 604 59 59 GLU HA H 3.894 0.020 1 605 59 59 GLU HB2 H 1.982 0.020 2 606 59 59 GLU HB3 H 1.883 0.020 2 607 59 59 GLU HG2 H 2.168 0.020 2 608 59 59 GLU HG3 H 2.168 0.020 2 609 59 59 GLU C C 175.599 0.400 1 610 59 59 GLU CA C 59.523 0.400 1 611 59 59 GLU CB C 30.322 0.400 1 612 59 59 GLU CG C 36.739 0.400 1 613 59 59 GLU N N 120.297 0.400 1 614 60 60 ARG H H 6.933 0.020 1 615 60 60 ARG HA H 4.251 0.020 1 616 60 60 ARG HB2 H 1.922 0.020 2 617 60 60 ARG HB3 H 1.859 0.020 2 618 60 60 ARG HD2 H 3.389 0.020 2 619 60 60 ARG HD3 H 3.164 0.020 2 620 60 60 ARG HG2 H 1.685 0.020 2 621 60 60 ARG HG3 H 1.648 0.020 2 622 60 60 ARG C C 173.916 0.400 1 623 60 60 ARG CA C 57.501 0.400 1 624 60 60 ARG CB C 31.777 0.400 1 625 60 60 ARG CD C 44.334 0.400 1 626 60 60 ARG CG C 29.666 0.400 1 627 60 60 ARG N N 114.102 0.400 1 628 61 61 ASN H H 7.716 0.020 1 629 61 61 ASN HA H 4.331 0.020 1 630 61 61 ASN HB2 H 3.244 0.020 2 631 61 61 ASN HB3 H 2.491 0.020 2 632 61 61 ASN HD21 H 7.522 0.020 2 633 61 61 ASN HD22 H 6.754 0.020 2 634 61 61 ASN C C 172.002 0.400 1 635 61 61 ASN CA C 54.858 0.400 1 636 61 61 ASN CB C 38.305 0.400 1 637 61 61 ASN N N 115.691 0.400 1 638 61 61 ASN ND2 N 112.114 0.400 1 639 62 62 VAL H H 7.302 0.020 1 640 62 62 VAL HA H 4.566 0.020 1 641 62 62 VAL HB H 1.911 0.020 1 642 62 62 VAL HG1 H 0.980 0.020 2 643 62 62 VAL HG2 H 0.920 0.020 2 644 62 62 VAL C C 170.887 0.400 1 645 62 62 VAL CA C 60.234 0.400 1 646 62 62 VAL CB C 36.581 0.400 1 647 62 62 VAL CG1 C 21.761 0.400 1 648 62 62 VAL CG2 C 21.420 0.400 1 649 62 62 VAL N N 116.491 0.400 1 650 63 63 PRO HA H 3.954 0.020 1 651 63 63 PRO HB2 H 1.388 0.020 2 652 63 63 PRO HB3 H 1.060 0.020 2 653 63 63 PRO HD2 H 3.626 0.020 2 654 63 63 PRO HD3 H 3.519 0.020 2 655 63 63 PRO HG2 H 1.643 0.020 2 656 63 63 PRO HG3 H 1.380 0.020 2 657 63 63 PRO CA C 63.848 0.400 1 658 63 63 PRO CB C 33.170 0.400 1 659 63 63 PRO CD C 51.644 0.400 1 660 63 63 PRO CG C 27.379 0.400 1 661 64 64 PHE H H 9.115 0.020 1 662 64 64 PHE HA H 4.805 0.020 1 663 64 64 PHE HB2 H 3.496 0.020 2 664 64 64 PHE HB3 H 3.162 0.020 2 665 64 64 PHE HD1 H 6.616 0.020 1 666 64 64 PHE HD2 H 6.616 0.020 1 667 64 64 PHE HE1 H 7.312 0.020 1 668 64 64 PHE HE2 H 7.312 0.020 1 669 64 64 PHE HZ H 6.904 0.020 1 670 64 64 PHE C C 171.421 0.400 1 671 64 64 PHE CA C 58.287 0.400 1 672 64 64 PHE CB C 44.038 0.400 1 673 64 64 PHE N N 124.080 0.400 1 674 65 65 LYS H H 7.452 0.020 1 675 65 65 LYS HA H 5.765 0.020 1 676 65 65 LYS HB2 H 1.287 0.020 2 677 65 65 LYS HB3 H 1.162 0.020 2 678 65 65 LYS HD2 H 1.305 0.020 2 679 65 65 LYS HD3 H 1.305 0.020 2 680 65 65 LYS HE2 H 2.723 0.020 2 681 65 65 LYS HE3 H 2.682 0.020 2 682 65 65 LYS HG2 H 1.365 0.020 2 683 65 65 LYS HG3 H 1.012 0.020 2 684 65 65 LYS C C 173.171 0.400 1 685 65 65 LYS CA C 54.838 0.400 1 686 65 65 LYS CB C 36.802 0.400 1 687 65 65 LYS CD C 30.262 0.400 1 688 65 65 LYS CE C 42.837 0.400 1 689 65 65 LYS CG C 25.748 0.400 1 690 65 65 LYS N N 125.684 0.400 1 691 66 66 PHE H H 8.042 0.020 1 692 66 66 PHE HA H 4.527 0.020 1 693 66 66 PHE HB2 H 3.044 0.020 2 694 66 66 PHE HB3 H 3.044 0.020 2 695 66 66 PHE HD1 H 6.996 0.020 1 696 66 66 PHE HD2 H 6.996 0.020 1 697 66 66 PHE HE1 H 7.273 0.020 1 698 66 66 PHE HE2 H 7.273 0.020 1 699 66 66 PHE HZ H 6.828 0.020 1 700 66 66 PHE C C 170.553 0.400 1 701 66 66 PHE CA C 56.701 0.400 1 702 66 66 PHE CB C 41.222 0.400 1 703 66 66 PHE N N 114.904 0.400 1 704 67 67 HIS H H 9.143 0.020 1 705 67 67 HIS HA H 4.914 0.020 1 706 67 67 HIS HB2 H 3.017 0.020 2 707 67 67 HIS HB3 H 2.609 0.020 2 708 67 67 HIS HD2 H 7.119 0.020 1 709 67 67 HIS HE1 H 8.550 0.020 1 710 67 67 HIS C C 172.843 0.400 1 711 67 67 HIS CA C 56.667 0.400 1 712 67 67 HIS CB C 28.939 0.400 1 713 67 67 HIS N N 118.298 0.400 1 714 68 68 LEU H H 8.543 0.020 1 715 68 68 LEU HA H 4.034 0.020 1 716 68 68 LEU HB2 H 1.797 0.020 2 717 68 68 LEU HB3 H 0.987 0.020 2 718 68 68 LEU HD1 H 0.391 0.020 2 719 68 68 LEU HD2 H 0.983 0.020 2 720 68 68 LEU HG H 1.435 0.020 1 721 68 68 LEU C C 175.701 0.400 1 722 68 68 LEU CA C 56.928 0.400 1 723 68 68 LEU CB C 43.866 0.400 1 724 68 68 LEU CD1 C 26.758 0.400 1 725 68 68 LEU CD2 C 25.442 0.400 1 726 68 68 LEU CG C 26.929 0.400 1 727 68 68 LEU N N 127.894 0.400 1 728 69 69 GLY H H 9.482 0.020 1 729 69 69 GLY HA2 H 3.936 0.020 2 730 69 69 GLY HA3 H 3.654 0.020 2 731 69 69 GLY C C 172.364 0.400 1 732 69 69 GLY CA C 47.925 0.400 1 733 69 69 GLY N N 116.793 0.400 1 734 70 70 GLN H H 7.799 0.020 1 735 70 70 GLN HA H 4.613 0.020 1 736 70 70 GLN HB2 H 2.474 0.020 2 737 70 70 GLN HB3 H 1.692 0.020 2 738 70 70 GLN HE21 H 7.113 0.020 2 739 70 70 GLN HE22 H 6.805 0.020 2 740 70 70 GLN HG2 H 2.226 0.020 2 741 70 70 GLN HG3 H 2.030 0.020 2 742 70 70 GLN C C 173.807 0.400 1 743 70 70 GLN CA C 55.176 0.400 1 744 70 70 GLN CB C 30.965 0.400 1 745 70 70 GLN CG C 34.956 0.400 1 746 70 70 GLN N N 115.898 0.400 1 747 70 70 GLN NE2 N 111.007 0.400 1 748 71 71 GLY H H 8.596 0.020 1 749 71 71 GLY HA2 H 4.069 0.020 2 750 71 71 GLY HA3 H 3.962 0.020 2 751 71 71 GLY C C 173.704 0.400 1 752 71 71 GLY CA C 47.585 0.400 1 753 71 71 GLY N N 111.201 0.400 1 754 72 72 GLU H H 9.263 0.020 1 755 72 72 GLU HA H 4.102 0.020 1 756 72 72 GLU HB2 H 2.271 0.020 2 757 72 72 GLU HB3 H 2.099 0.020 2 758 72 72 GLU HG2 H 2.404 0.020 2 759 72 72 GLU HG3 H 2.404 0.020 2 760 72 72 GLU C C 173.383 0.400 1 761 72 72 GLU CA C 58.187 0.400 1 762 72 72 GLU CB C 31.959 0.400 1 763 72 72 GLU CG C 37.856 0.400 1 764 72 72 GLU N N 119.082 0.400 1 765 73 73 VAL H H 6.696 0.020 1 766 73 73 VAL HA H 4.168 0.020 1 767 73 73 VAL HB H 1.294 0.020 1 768 73 73 VAL HG1 H -0.061 0.020 2 769 73 73 VAL HG2 H 0.213 0.020 2 770 73 73 VAL C C 173.445 0.400 1 771 73 73 VAL CA C 58.111 0.400 1 772 73 73 VAL CB C 37.023 0.400 1 773 73 73 VAL CG1 C 22.452 0.400 1 774 73 73 VAL CG2 C 19.681 0.400 1 775 73 73 VAL N N 108.290 0.400 1 776 74 74 ILE H H 7.252 0.020 1 777 74 74 ILE HA H 3.748 0.020 1 778 74 74 ILE HB H 1.793 0.020 1 779 74 74 ILE HD1 H 0.336 0.020 1 780 74 74 ILE HG12 H 0.728 0.020 2 781 74 74 ILE HG13 H 0.206 0.020 2 782 74 74 ILE HG2 H -0.103 0.020 1 783 74 74 ILE C C 175.680 0.400 1 784 74 74 ILE CA C 63.160 0.400 1 785 74 74 ILE CB C 38.304 0.400 1 786 74 74 ILE CD1 C 15.148 0.400 1 787 74 74 ILE CG1 C 25.412 0.400 1 788 74 74 ILE CG2 C 18.380 0.400 1 789 74 74 ILE N N 113.491 0.400 1 790 75 75 LYS H H 8.911 0.020 1 791 75 75 LYS HA H 4.240 0.020 1 792 75 75 LYS HB2 H 1.857 0.020 2 793 75 75 LYS HB3 H 1.785 0.020 2 794 75 75 LYS HD2 H 1.710 0.020 2 795 75 75 LYS HD3 H 1.710 0.020 2 796 75 75 LYS HE2 H 2.925 0.020 2 797 75 75 LYS HE3 H 2.925 0.020 2 798 75 75 LYS HG2 H 1.600 0.020 2 799 75 75 LYS HG3 H 1.600 0.020 2 800 75 75 LYS C C 177.848 0.400 1 801 75 75 LYS CA C 60.325 0.400 1 802 75 75 LYS CB C 34.293 0.400 1 803 75 75 LYS CD C 29.782 0.400 1 804 75 75 LYS CE C 42.698 0.400 1 805 75 75 LYS CG C 25.933 0.400 1 806 75 75 LYS N N 124.488 0.400 1 807 76 76 GLY H H 9.289 0.020 1 808 76 76 GLY HA2 H 3.912 0.020 2 809 76 76 GLY HA3 H 3.672 0.020 2 810 76 76 GLY C C 173.459 0.400 1 811 76 76 GLY CA C 48.825 0.400 1 812 76 76 GLY N N 101.188 0.400 1 813 77 77 TRP H H 7.676 0.020 1 814 77 77 TRP HA H 4.046 0.020 1 815 77 77 TRP HB2 H 2.958 0.020 2 816 77 77 TRP HB3 H 2.656 0.020 2 817 77 77 TRP HD1 H 6.462 0.020 1 818 77 77 TRP HE3 H 7.699 0.020 1 819 77 77 TRP HH2 H 6.000 0.020 1 820 77 77 TRP HZ2 H 7.497 0.020 1 821 77 77 TRP HZ3 H 5.060 0.020 1 822 77 77 TRP C C 175.633 0.400 1 823 77 77 TRP CA C 61.755 0.400 1 824 77 77 TRP CB C 29.980 0.400 1 825 77 77 TRP N N 120.280 0.400 1 826 78 78 ASP H H 6.895 0.020 1 827 78 78 ASP HA H 4.722 0.020 1 828 78 78 ASP HB2 H 2.710 0.020 2 829 78 78 ASP HB3 H 2.608 0.020 2 830 78 78 ASP C C 177.711 0.400 1 831 78 78 ASP CA C 58.922 0.400 1 832 78 78 ASP CB C 41.411 0.400 1 833 78 78 ASP N N 121.683 0.400 1 834 79 79 ILE H H 7.944 0.020 1 835 79 79 ILE HA H 3.603 0.020 1 836 79 79 ILE HB H 1.435 0.020 1 837 79 79 ILE HD1 H 0.727 0.020 1 838 79 79 ILE HG12 H 1.757 0.020 2 839 79 79 ILE HG13 H 1.003 0.020 2 840 79 79 ILE HG2 H 0.673 0.020 1 841 79 79 ILE C C 175.892 0.400 1 842 79 79 ILE CA C 65.486 0.400 1 843 79 79 ILE CB C 40.266 0.400 1 844 79 79 ILE CD1 C 15.837 0.400 1 845 79 79 ILE CG1 C 29.960 0.400 1 846 79 79 ILE CG2 C 19.120 0.400 1 847 79 79 ILE N N 117.688 0.400 1 848 80 80 CYS H H 8.096 0.020 1 849 80 80 CYS HA H 3.811 0.020 1 850 80 80 CYS HB2 H 2.772 0.020 2 851 80 80 CYS HB3 H 2.375 0.020 2 852 80 80 CYS C C 177.137 0.400 1 853 80 80 CYS CA C 63.935 0.400 1 854 80 80 CYS CB C 28.770 0.400 1 855 80 80 CYS N N 117.297 0.400 1 856 81 81 VAL H H 9.232 0.020 1 857 81 81 VAL HA H 3.489 0.020 1 858 81 81 VAL HB H 2.083 0.020 1 859 81 81 VAL HG1 H 0.954 0.020 2 860 81 81 VAL HG2 H 0.825 0.020 2 861 81 81 VAL C C 173.978 0.400 1 862 81 81 VAL CA C 67.672 0.400 1 863 81 81 VAL CB C 31.239 0.400 1 864 81 81 VAL CG1 C 24.344 0.400 1 865 81 81 VAL CG2 C 23.580 0.400 1 866 81 81 VAL N N 121.174 0.400 1 867 82 82 ALA H H 6.951 0.020 1 868 82 82 ALA HA H 3.891 0.020 1 869 82 82 ALA HB H 1.389 0.020 1 870 82 82 ALA C C 175.667 0.400 1 871 82 82 ALA CA C 55.141 0.400 1 872 82 82 ALA CB C 19.131 0.400 1 873 82 82 ALA N N 117.693 0.400 1 874 83 83 SER H H 7.423 0.020 1 875 83 83 SER HA H 4.509 0.020 1 876 83 83 SER HB2 H 4.118 0.020 2 877 83 83 SER HB3 H 3.762 0.020 2 878 83 83 SER C C 171.810 0.400 1 879 83 83 SER CA C 59.562 0.400 1 880 83 83 SER CB C 66.966 0.400 1 881 83 83 SER N N 112.096 0.400 1 882 84 84 MET H H 7.324 0.020 1 883 84 84 MET HA H 4.740 0.020 1 884 84 84 MET HB2 H 1.970 0.020 2 885 84 84 MET HB3 H 1.897 0.020 2 886 84 84 MET HE H 1.901 0.020 1 887 84 84 MET HG2 H 2.891 0.020 2 888 84 84 MET HG3 H 2.320 0.020 2 889 84 84 MET C C 172.870 0.400 1 890 84 84 MET CA C 56.666 0.400 1 891 84 84 MET CB C 37.752 0.400 1 892 84 84 MET CE C 20.429 0.400 1 893 84 84 MET CG C 32.899 0.400 1 894 84 84 MET N N 123.783 0.400 1 895 85 85 THR H H 6.966 0.020 1 896 85 85 THR HA H 4.877 0.020 1 897 85 85 THR HB H 4.167 0.020 1 898 85 85 THR HG2 H 0.985 0.020 1 899 85 85 THR C C 172.747 0.400 1 900 85 85 THR CA C 60.144 0.400 1 901 85 85 THR CB C 72.790 0.400 1 902 85 85 THR CG2 C 23.112 0.400 1 903 85 85 THR N N 105.687 0.400 1 904 86 86 LYS H H 8.657 0.020 1 905 86 86 LYS HA H 3.491 0.020 1 906 86 86 LYS HB2 H 1.768 0.020 2 907 86 86 LYS HB3 H 1.710 0.020 2 908 86 86 LYS HD2 H 1.632 0.020 2 909 86 86 LYS HD3 H 1.565 0.020 2 910 86 86 LYS HE2 H 2.899 0.020 2 911 86 86 LYS HE3 H 2.794 0.020 2 912 86 86 LYS HG2 H 1.341 0.020 2 913 86 86 LYS HG3 H 1.263 0.020 2 914 86 86 LYS C C 173.061 0.400 1 915 86 86 LYS CA C 60.880 0.400 1 916 86 86 LYS CB C 34.799 0.400 1 917 86 86 LYS CD C 30.486 0.400 1 918 86 86 LYS CE C 42.657 0.400 1 919 86 86 LYS CG C 26.320 0.400 1 920 86 86 LYS N N 119.992 0.400 1 921 87 87 ASN H H 8.824 0.020 1 922 87 87 ASN HA H 4.350 0.020 1 923 87 87 ASN HB2 H 3.228 0.020 2 924 87 87 ASN HB3 H 3.111 0.020 2 925 87 87 ASN HD21 H 8.060 0.020 2 926 87 87 ASN HD22 H 6.824 0.020 2 927 87 87 ASN C C 173.102 0.400 1 928 87 87 ASN CA C 56.685 0.400 1 929 87 87 ASN CB C 39.801 0.400 1 930 87 87 ASN N N 118.804 0.400 1 931 87 87 ASN ND2 N 113.587 0.400 1 932 88 88 GLU H H 8.753 0.020 1 933 88 88 GLU HA H 4.255 0.020 1 934 88 88 GLU HB2 H 2.258 0.020 2 935 88 88 GLU HB3 H 2.021 0.020 2 936 88 88 GLU HG2 H 2.550 0.020 2 937 88 88 GLU HG3 H 1.744 0.020 2 938 88 88 GLU C C 172.686 0.400 1 939 88 88 GLU CA C 57.618 0.400 1 940 88 88 GLU CB C 33.142 0.400 1 941 88 88 GLU CG C 38.801 0.400 1 942 88 88 GLU N N 123.784 0.400 1 943 89 89 LYS H H 8.712 0.020 1 944 89 89 LYS HA H 5.362 0.020 1 945 89 89 LYS HB2 H 1.624 0.020 2 946 89 89 LYS HB3 H 1.364 0.020 2 947 89 89 LYS HD2 H 1.428 0.020 2 948 89 89 LYS HD3 H 1.428 0.020 2 949 89 89 LYS HE2 H 2.528 0.020 2 950 89 89 LYS HE3 H 2.528 0.020 2 951 89 89 LYS HG2 H 1.208 0.020 2 952 89 89 LYS HG3 H 1.075 0.020 2 953 89 89 LYS C C 173.851 0.400 1 954 89 89 LYS CA C 55.343 0.400 1 955 89 89 LYS CB C 37.311 0.400 1 956 89 89 LYS CD C 30.299 0.400 1 957 89 89 LYS CE C 42.311 0.400 1 958 89 89 LYS CG C 26.804 0.400 1 959 89 89 LYS N N 124.498 0.400 1 960 90 90 CYS H H 9.678 0.020 1 961 90 90 CYS HA H 5.498 0.020 1 962 90 90 CYS HB2 H 2.833 0.020 2 963 90 90 CYS HB3 H 2.833 0.020 2 964 90 90 CYS C C 169.198 0.400 1 965 90 90 CYS CA C 55.700 0.400 1 966 90 90 CYS CB C 33.504 0.400 1 967 90 90 CYS N N 123.801 0.400 1 968 91 91 SER H H 9.039 0.020 1 969 91 91 SER HA H 5.567 0.020 1 970 91 91 SER HB2 H 3.578 0.020 2 971 91 91 SER HB3 H 3.578 0.020 2 972 91 91 SER C C 171.879 0.400 1 973 91 91 SER CA C 56.926 0.400 1 974 91 91 SER CB C 64.805 0.400 1 975 91 91 SER N N 114.401 0.400 1 976 92 92 VAL H H 10.045 0.020 1 977 92 92 VAL HA H 5.397 0.020 1 978 92 92 VAL HB H 1.968 0.020 1 979 92 92 VAL HG1 H 0.627 0.020 2 980 92 92 VAL HG2 H 1.041 0.020 2 981 92 92 VAL C C 171.831 0.400 1 982 92 92 VAL CA C 58.667 0.400 1 983 92 92 VAL CB C 36.717 0.400 1 984 92 92 VAL CG1 C 24.173 0.400 1 985 92 92 VAL CG2 C 20.538 0.400 1 986 92 92 VAL N N 128.488 0.400 1 987 93 93 ARG H H 8.463 0.020 1 988 93 93 ARG HA H 4.913 0.020 1 989 93 93 ARG HB2 H 1.573 0.020 2 990 93 93 ARG HB3 H 1.533 0.020 2 991 93 93 ARG HD2 H 3.033 0.020 2 992 93 93 ARG HD3 H 2.896 0.020 2 993 93 93 ARG HG2 H 1.169 0.020 2 994 93 93 ARG HG3 H 1.088 0.020 2 995 93 93 ARG C C 173.937 0.400 1 996 93 93 ARG CA C 55.692 0.400 1 997 93 93 ARG CB C 32.437 0.400 1 998 93 93 ARG CD C 44.100 0.400 1 999 93 93 ARG CG C 29.236 0.400 1 1000 93 93 ARG N N 129.688 0.400 1 1001 94 94 LEU H H 9.675 0.020 1 1002 94 94 LEU HA H 5.475 0.020 1 1003 94 94 LEU HB2 H 2.062 0.020 2 1004 94 94 LEU HB3 H 1.259 0.020 2 1005 94 94 LEU HD1 H 1.007 0.020 2 1006 94 94 LEU HD2 H 0.940 0.020 2 1007 94 94 LEU HG H 1.848 0.020 1 1008 94 94 LEU C C 173.834 0.400 1 1009 94 94 LEU CA C 52.966 0.400 1 1010 94 94 LEU CB C 44.861 0.400 1 1011 94 94 LEU CD1 C 28.282 0.400 1 1012 94 94 LEU CD2 C 29.121 0.400 1 1013 94 94 LEU CG C 27.480 0.400 1 1014 94 94 LEU N N 128.492 0.400 1 1015 95 95 ASP H H 9.034 0.020 1 1016 95 95 ASP HA H 4.637 0.020 1 1017 95 95 ASP HB2 H 2.823 0.020 2 1018 95 95 ASP HB3 H 2.672 0.020 2 1019 95 95 ASP C C 175.578 0.400 1 1020 95 95 ASP CA C 56.377 0.400 1 1021 95 95 ASP CB C 44.767 0.400 1 1022 95 95 ASP N N 122.786 0.400 1 1023 96 96 SER H H 8.277 0.020 1 1024 96 96 SER HA H 4.135 0.020 1 1025 96 96 SER HB2 H 3.909 0.020 2 1026 96 96 SER HB3 H 3.621 0.020 2 1027 96 96 SER CA C 63.358 0.400 1 1028 96 96 SER CB C 63.395 0.400 1 1029 96 96 SER N N 118.964 0.400 1 1030 97 97 LYS H H 8.572 0.020 1 1031 97 97 LYS HA H 3.961 0.020 1 1032 97 97 LYS HB2 H 1.630 0.020 2 1033 97 97 LYS HB3 H 1.379 0.020 2 1034 97 97 LYS HD2 H 1.432 0.020 2 1035 97 97 LYS HD3 H 1.432 0.020 2 1036 97 97 LYS HE2 H 2.740 0.020 2 1037 97 97 LYS HE3 H 2.740 0.020 2 1038 97 97 LYS HG2 H 0.875 0.020 2 1039 97 97 LYS HG3 H 0.822 0.020 2 1040 97 97 LYS C C 174.853 0.400 1 1041 97 97 LYS CA C 59.735 0.400 1 1042 97 97 LYS CB C 32.725 0.400 1 1043 97 97 LYS CD C 30.047 0.400 1 1044 97 97 LYS CE C 42.592 0.400 1 1045 97 97 LYS CG C 25.360 0.400 1 1046 97 97 LYS N N 124.092 0.400 1 1047 98 98 TYR H H 7.940 0.020 1 1048 98 98 TYR HA H 4.302 0.020 1 1049 98 98 TYR HB2 H 2.910 0.020 2 1050 98 98 TYR HB3 H 2.561 0.020 2 1051 98 98 TYR HD1 H 6.617 0.020 1 1052 98 98 TYR HD2 H 6.617 0.020 1 1053 98 98 TYR HE1 H 6.843 0.020 1 1054 98 98 TYR HE2 H 6.843 0.020 1 1055 98 98 TYR C C 171.660 0.400 1 1056 98 98 TYR CA C 59.370 0.400 1 1057 98 98 TYR CB C 40.239 0.400 1 1058 98 98 TYR N N 116.088 0.400 1 1059 99 99 GLY H H 7.640 0.020 1 1060 99 99 GLY HA2 H 4.234 0.020 2 1061 99 99 GLY HA3 H 3.242 0.020 2 1062 99 99 GLY C C 171.011 0.400 1 1063 99 99 GLY CA C 45.926 0.400 1 1064 99 99 GLY N N 110.094 0.400 1 1065 100 100 TYR H H 9.395 0.020 1 1066 100 100 TYR HA H 4.390 0.020 1 1067 100 100 TYR HB2 H 3.129 0.020 2 1068 100 100 TYR HB3 H 2.284 0.020 2 1069 100 100 TYR HD1 H 6.903 0.020 1 1070 100 100 TYR HD2 H 6.903 0.020 1 1071 100 100 TYR HE1 H 6.486 0.020 1 1072 100 100 TYR HE2 H 6.486 0.020 1 1073 100 100 TYR C C 174.087 0.400 1 1074 100 100 TYR CA C 59.693 0.400 1 1075 100 100 TYR CB C 38.667 0.400 1 1076 100 100 TYR N N 126.594 0.400 1 1077 101 101 GLY H H 8.182 0.020 1 1078 101 101 GLY HA2 H 3.902 0.020 2 1079 101 101 GLY HA3 H 3.584 0.020 2 1080 101 101 GLY C C 173.827 0.400 1 1081 101 101 GLY CA C 47.338 0.400 1 1082 101 101 GLY N N 106.992 0.400 1 1083 102 102 GLU H H 9.117 0.020 1 1084 102 102 GLU HA H 3.894 0.020 1 1085 102 102 GLU HB2 H 1.986 0.020 2 1086 102 102 GLU HB3 H 1.895 0.020 2 1087 102 102 GLU HG2 H 2.249 0.020 2 1088 102 102 GLU HG3 H 2.171 0.020 2 1089 102 102 GLU C C 174.996 0.400 1 1090 102 102 GLU CA C 59.295 0.400 1 1091 102 102 GLU CB C 30.728 0.400 1 1092 102 102 GLU CG C 37.430 0.400 1 1093 102 102 GLU N N 125.898 0.400 1 1094 103 103 GLU H H 8.631 0.020 1 1095 103 103 GLU HA H 4.066 0.020 1 1096 103 103 GLU HB2 H 2.115 0.020 2 1097 103 103 GLU HB3 H 1.992 0.020 2 1098 103 103 GLU HG2 H 2.318 0.020 2 1099 103 103 GLU HG3 H 2.226 0.020 2 1100 103 103 GLU C C 177.315 0.400 1 1101 103 103 GLU CA C 59.165 0.400 1 1102 103 103 GLU CB C 30.793 0.400 1 1103 103 103 GLU CG C 37.604 0.400 1 1104 103 103 GLU N N 117.190 0.400 1 1105 104 104 GLY H H 7.146 0.020 1 1106 104 104 GLY HA2 H 3.923 0.020 2 1107 104 104 GLY HA3 H 3.145 0.020 2 1108 104 104 GLY C C 169.745 0.400 1 1109 104 104 GLY CA C 44.999 0.400 1 1110 104 104 GLY N N 103.990 0.400 1 1111 105 105 CYS H H 8.959 0.020 1 1112 105 105 CYS HA H 4.215 0.020 1 1113 105 105 CYS HB2 H 1.822 0.020 2 1114 105 105 CYS HB3 H 1.288 0.020 2 1115 105 105 CYS C C 171.489 0.400 1 1116 105 105 CYS CA C 58.767 0.400 1 1117 105 105 CYS CB C 26.980 0.400 1 1118 105 105 CYS N N 121.998 0.400 1 1119 106 106 GLY H H 8.555 0.020 1 1120 106 106 GLY HA2 H 3.875 0.020 2 1121 106 106 GLY HA3 H 3.662 0.020 2 1122 106 106 GLY C C 171.510 0.400 1 1123 106 106 GLY CA C 45.997 0.400 1 1124 106 106 GLY N N 114.893 0.400 1 1125 107 107 GLU H H 8.467 0.020 1 1126 107 107 GLU HA H 3.990 0.020 1 1127 107 107 GLU HB2 H 1.947 0.020 2 1128 107 107 GLU HB3 H 1.835 0.020 2 1129 107 107 GLU HG2 H 2.155 0.020 2 1130 107 107 GLU HG3 H 2.155 0.020 2 1131 107 107 GLU C C 176.138 0.400 1 1132 107 107 GLU CA C 58.314 0.400 1 1133 107 107 GLU CB C 30.717 0.400 1 1134 107 107 GLU CG C 37.334 0.400 1 1135 107 107 GLU N N 120.089 0.400 1 1136 108 108 SER H H 8.032 0.020 1 1137 108 108 SER HA H 4.180 0.020 1 1138 108 108 SER HB2 H 3.788 0.020 2 1139 108 108 SER HB3 H 3.788 0.020 2 1140 108 108 SER C C 171.680 0.400 1 1141 108 108 SER CA C 60.987 0.400 1 1142 108 108 SER CB C 64.825 0.400 1 1143 108 108 SER N N 112.291 0.400 1 1144 109 109 ILE H H 6.552 0.020 1 1145 109 109 ILE HA H 4.202 0.020 1 1146 109 109 ILE HB H 1.178 0.020 1 1147 109 109 ILE HD1 H -0.129 0.020 1 1148 109 109 ILE HG12 H 0.799 0.020 2 1149 109 109 ILE HG13 H -0.186 0.020 2 1150 109 109 ILE HG2 H 0.484 0.020 1 1151 109 109 ILE C C 170.614 0.400 1 1152 109 109 ILE CA C 58.921 0.400 1 1153 109 109 ILE CB C 40.216 0.400 1 1154 109 109 ILE CD1 C 14.725 0.400 1 1155 109 109 ILE CG1 C 27.006 0.400 1 1156 109 109 ILE CG2 C 18.517 0.400 1 1157 109 109 ILE N N 116.916 0.400 1 1158 110 110 PRO HA H 4.459 0.020 1 1159 110 110 PRO HB2 H 2.284 0.020 2 1160 110 110 PRO HB3 H 1.638 0.020 2 1161 110 110 PRO HD2 H 3.515 0.020 2 1162 110 110 PRO HD3 H 3.392 0.020 2 1163 110 110 PRO HG2 H 1.810 0.020 2 1164 110 110 PRO HG3 H 1.810 0.020 2 1165 110 110 PRO C C 177.096 0.400 1 1166 110 110 PRO CA C 62.537 0.400 1 1167 110 110 PRO CB C 33.501 0.400 1 1168 110 110 PRO CD C 52.091 0.400 1 1169 110 110 PRO CG C 27.986 0.400 1 1170 111 111 GLY H H 9.026 0.020 1 1171 111 111 GLY HA2 H 3.621 0.020 2 1172 111 111 GLY HA3 H 3.332 0.020 2 1173 111 111 GLY C C 170.539 0.400 1 1174 111 111 GLY CA C 47.321 0.400 1 1175 111 111 GLY N N 111.977 0.400 1 1176 112 112 ASN H H 8.431 0.020 1 1177 112 112 ASN HA H 4.080 0.020 1 1178 112 112 ASN HB2 H 2.913 0.020 2 1179 112 112 ASN HB3 H 2.770 0.020 2 1180 112 112 ASN HD21 H 7.420 0.020 2 1181 112 112 ASN HD22 H 6.898 0.020 2 1182 112 112 ASN C C 172.549 0.400 1 1183 112 112 ASN CA C 55.187 0.400 1 1184 112 112 ASN CB C 37.740 0.400 1 1185 112 112 ASN N N 116.791 0.400 1 1186 112 112 ASN ND2 N 113.315 0.400 1 1187 113 113 SER H H 7.613 0.020 1 1188 113 113 SER HA H 4.461 0.020 1 1189 113 113 SER HB2 H 3.506 0.020 2 1190 113 113 SER HB3 H 3.443 0.020 2 1191 113 113 SER C C 171.072 0.400 1 1192 113 113 SER CA C 60.631 0.400 1 1193 113 113 SER CB C 65.230 0.400 1 1194 113 113 SER N N 113.212 0.400 1 1195 114 114 VAL H H 8.490 0.020 1 1196 114 114 VAL HA H 4.371 0.020 1 1197 114 114 VAL HB H 1.844 0.020 1 1198 114 114 VAL HG1 H 1.075 0.020 2 1199 114 114 VAL HG2 H 0.673 0.020 2 1200 114 114 VAL C C 174.757 0.400 1 1201 114 114 VAL CA C 63.659 0.400 1 1202 114 114 VAL CB C 32.754 0.400 1 1203 114 114 VAL CG1 C 23.018 0.400 1 1204 114 114 VAL CG2 C 22.250 0.400 1 1205 114 114 VAL N N 126.188 0.400 1 1206 115 115 LEU H H 8.701 0.020 1 1207 115 115 LEU HA H 5.135 0.020 1 1208 115 115 LEU HB2 H 1.904 0.020 2 1209 115 115 LEU HB3 H 1.458 0.020 2 1210 115 115 LEU HD1 H 1.177 0.020 2 1211 115 115 LEU HD2 H 0.725 0.020 2 1212 115 115 LEU C C 172.795 0.400 1 1213 115 115 LEU CA C 53.912 0.400 1 1214 115 115 LEU CB C 46.669 0.400 1 1215 115 115 LEU CD1 C 27.572 0.400 1 1216 115 115 LEU CD2 C 24.151 0.400 1 1217 115 115 LEU N N 128.406 0.400 1 1218 116 116 ILE H H 8.988 0.020 1 1219 116 116 ILE HA H 5.269 0.020 1 1220 116 116 ILE HB H 1.517 0.020 1 1221 116 116 ILE HD1 H 0.799 0.020 1 1222 116 116 ILE HG12 H 1.360 0.020 2 1223 116 116 ILE HG13 H 1.017 0.020 2 1224 116 116 ILE HG2 H 0.698 0.020 1 1225 116 116 ILE C C 174.313 0.400 1 1226 116 116 ILE CA C 59.969 0.400 1 1227 116 116 ILE CB C 40.899 0.400 1 1228 116 116 ILE CD1 C 13.949 0.400 1 1229 116 116 ILE CG1 C 28.465 0.400 1 1230 116 116 ILE CG2 C 18.202 0.400 1 1231 116 116 ILE N N 121.855 0.400 1 1232 117 117 PHE H H 9.293 0.020 1 1233 117 117 PHE HA H 5.964 0.020 1 1234 117 117 PHE HB2 H 2.728 0.020 2 1235 117 117 PHE HB3 H 2.655 0.020 2 1236 117 117 PHE HD1 H 7.224 0.020 1 1237 117 117 PHE HD2 H 7.224 0.020 1 1238 117 117 PHE HE1 H 6.890 0.020 1 1239 117 117 PHE HE2 H 6.890 0.020 1 1240 117 117 PHE C C 173.192 0.400 1 1241 117 117 PHE CA C 56.257 0.400 1 1242 117 117 PHE CB C 43.641 0.400 1 1243 117 117 PHE N N 121.997 0.400 1 1244 118 118 GLU H H 9.101 0.020 1 1245 118 118 GLU HA H 5.506 0.020 1 1246 118 118 GLU HB2 H 2.071 0.020 2 1247 118 118 GLU HB3 H 1.925 0.020 2 1248 118 118 GLU HG2 H 2.103 0.020 2 1249 118 118 GLU HG3 H 1.777 0.020 2 1250 118 118 GLU C C 174.956 0.400 1 1251 118 118 GLU CA C 55.914 0.400 1 1252 118 118 GLU CB C 32.496 0.400 1 1253 118 118 GLU CG C 38.389 0.400 1 1254 118 118 GLU N N 124.191 0.400 1 1255 119 119 ILE H H 8.907 0.020 1 1256 119 119 ILE HA H 4.893 0.020 1 1257 119 119 ILE HB H 1.314 0.020 1 1258 119 119 ILE HD1 H -0.273 0.020 1 1259 119 119 ILE HG12 H 1.297 0.020 2 1260 119 119 ILE HG13 H 0.275 0.020 2 1261 119 119 ILE HG2 H 0.396 0.020 1 1262 119 119 ILE C C 171.154 0.400 1 1263 119 119 ILE CA C 61.677 0.400 1 1264 119 119 ILE CB C 42.349 0.400 1 1265 119 119 ILE CD1 C 12.668 0.400 1 1266 119 119 ILE CG1 C 28.932 0.400 1 1267 119 119 ILE CG2 C 17.711 0.400 1 1268 119 119 ILE N N 126.799 0.400 1 1269 120 120 GLU H H 9.107 0.020 1 1270 120 120 GLU HA H 5.333 0.020 1 1271 120 120 GLU HB2 H 1.969 0.020 2 1272 120 120 GLU HB3 H 1.502 0.020 2 1273 120 120 GLU HG2 H 1.865 0.020 2 1274 120 120 GLU HG3 H 1.865 0.020 2 1275 120 120 GLU C C 173.123 0.400 1 1276 120 120 GLU CA C 54.442 0.400 1 1277 120 120 GLU CB C 35.368 0.400 1 1278 120 120 GLU CG C 36.498 0.400 1 1279 120 120 GLU N N 128.888 0.400 1 1280 121 121 LEU H H 8.290 0.020 1 1281 121 121 LEU HA H 4.651 0.020 1 1282 121 121 LEU HB2 H 2.236 0.020 2 1283 121 121 LEU HB3 H 1.188 0.020 2 1284 121 121 LEU HD1 H 0.631 0.020 2 1285 121 121 LEU HD2 H 0.837 0.020 2 1286 121 121 LEU HG H 1.367 0.020 1 1287 121 121 LEU C C 172.207 0.400 1 1288 121 121 LEU CA C 55.511 0.400 1 1289 121 121 LEU CB C 41.744 0.400 1 1290 121 121 LEU CD1 C 26.909 0.400 1 1291 121 121 LEU CD2 C 25.468 0.400 1 1292 121 121 LEU CG C 29.749 0.400 1 1293 121 121 LEU N N 128.088 0.400 1 1294 122 122 ILE H H 8.623 0.020 1 1295 122 122 ILE HA H 4.001 0.020 1 1296 122 122 ILE HB H 1.472 0.020 1 1297 122 122 ILE HD1 H 0.644 0.020 1 1298 122 122 ILE HG12 H 1.437 0.020 2 1299 122 122 ILE HG13 H 1.119 0.020 2 1300 122 122 ILE HG2 H 0.785 0.020 1 1301 122 122 ILE C C 174.395 0.400 1 1302 122 122 ILE CA C 63.914 0.400 1 1303 122 122 ILE CB C 39.573 0.400 1 1304 122 122 ILE CD1 C 13.951 0.400 1 1305 122 122 ILE CG1 C 28.350 0.400 1 1306 122 122 ILE CG2 C 17.451 0.400 1 1307 122 122 ILE N N 130.201 0.400 1 1308 123 123 SER H H 7.647 0.020 1 1309 123 123 SER HA H 4.284 0.020 1 1310 123 123 SER HB2 H 3.736 0.020 2 1311 123 123 SER HB3 H 3.736 0.020 2 1312 123 123 SER C C 169.350 0.400 1 1313 123 123 SER CA C 58.339 0.400 1 1314 123 123 SER CB C 64.770 0.400 1 1315 123 123 SER N N 107.196 0.400 1 1316 124 124 PHE H H 7.925 0.020 1 1317 124 124 PHE HA H 5.353 0.020 1 1318 124 124 PHE HB2 H 3.079 0.020 2 1319 124 124 PHE HB3 H 2.902 0.020 2 1320 124 124 PHE HD1 H 6.641 0.020 1 1321 124 124 PHE HD2 H 6.641 0.020 1 1322 124 124 PHE HE1 H 7.060 0.020 1 1323 124 124 PHE HE2 H 7.060 0.020 1 1324 124 124 PHE HZ H 6.983 0.020 1 1325 124 124 PHE C C 170.627 0.400 1 1326 124 124 PHE CA C 57.317 0.400 1 1327 124 124 PHE CB C 43.521 0.400 1 1328 124 124 PHE N N 113.302 0.400 1 1329 125 125 ARG H H 8.809 0.020 1 1330 125 125 ARG HA H 4.610 0.020 1 1331 125 125 ARG HB2 H 1.818 0.020 2 1332 125 125 ARG HB3 H 1.725 0.020 2 1333 125 125 ARG HD2 H 3.028 0.020 2 1334 125 125 ARG HD3 H 2.972 0.020 2 1335 125 125 ARG HG2 H 1.481 0.020 2 1336 125 125 ARG HG3 H 1.481 0.020 2 1337 125 125 ARG C C 171.763 0.400 1 1338 125 125 ARG CA C 55.376 0.400 1 1339 125 125 ARG CB C 33.789 0.400 1 1340 125 125 ARG CD C 44.506 0.400 1 1341 125 125 ARG CG C 26.765 0.400 1 1342 125 125 ARG N N 117.403 0.400 1 1343 126 126 GLU H H 8.245 0.020 1 1344 126 126 GLU HA H 4.085 0.020 1 1345 126 126 GLU HB2 H 1.930 0.020 2 1346 126 126 GLU HB3 H 1.848 0.020 2 1347 126 126 GLU HG2 H 2.209 0.020 2 1348 126 126 GLU HG3 H 2.209 0.020 2 1349 126 126 GLU C C 171.776 0.400 1 1350 126 126 GLU CA C 59.645 0.400 1 1351 126 126 GLU CB C 31.345 0.400 1 1352 126 126 GLU N N 125.801 0.400 1 stop_ save_