data_15189 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal extracellular domain of the lymphocyte receptor CD5 (CD5 domain 1) ; _BMRB_accession_number 15189 _BMRB_flat_file_name bmr15189.str _Entry_type original _Submission_date 2007-03-19 _Accession_date 2007-03-19 _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 Garza-Garcia Acely . . 2 Harris Richard . . 3 Esposito Diego . . 4 Driscoll Paul C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 610 "13C chemical shifts" 453 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-27 original author . stop_ _Original_release_date 2008-06-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Three-dimensional solution structure and conformational plasticity of the N-terminal scavenger receptor cysteine-rich domain of human CD5' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18339402 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Garza-Garcia Acely . . 2 Esposito Diego . . 3 Rieping Wolfgang . . 4 Harris Richard . . 5 Briggs Cherry . . 6 Brown Marion H. . 7 Driscoll Paul C. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 378 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 129 _Page_last 144 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CD5d1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD5d1 $CD5d1 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_CD5d1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD5d1 _Molecular_mass 12491.134 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MRLSWYDPDFQARLTRSNSK CQGQLEVYLKDGWHMVCSQS WGRSSKQWEDPSQASKVCQR LNCGDPLSLGPFLKTYTPQS SIICYGQLGSFSNCSHSRND MCHSLGLTCLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 MET 2 -19 GLY 3 -18 SER 4 -17 SER 5 -16 HIS 6 -15 HIS 7 -14 HIS 8 -13 HIS 9 -12 HIS 10 -11 HIS 11 -10 SER 12 -9 SER 13 -8 GLY 14 -7 LEU 15 -6 VAL 16 -5 PRO 17 -4 ARG 18 -3 GLY 19 -2 SER 20 -1 HIS 21 1 MET 22 2 ARG 23 3 LEU 24 4 SER 25 5 TRP 26 6 TYR 27 7 ASP 28 8 PRO 29 9 ASP 30 10 PHE 31 11 GLN 32 12 ALA 33 13 ARG 34 14 LEU 35 15 THR 36 16 ARG 37 17 SER 38 18 ASN 39 19 SER 40 20 LYS 41 21 CYS 42 22 GLN 43 23 GLY 44 24 GLN 45 25 LEU 46 26 GLU 47 27 VAL 48 28 TYR 49 29 LEU 50 30 LYS 51 31 ASP 52 32 GLY 53 33 TRP 54 34 HIS 55 35 MET 56 36 VAL 57 37 CYS 58 38 SER 59 39 GLN 60 40 SER 61 41 TRP 62 42 GLY 63 43 ARG 64 44 SER 65 45 SER 66 46 LYS 67 47 GLN 68 48 TRP 69 49 GLU 70 50 ASP 71 51 PRO 72 52 SER 73 53 GLN 74 54 ALA 75 55 SER 76 56 LYS 77 57 VAL 78 58 CYS 79 59 GLN 80 60 ARG 81 61 LEU 82 62 ASN 83 63 CYS 84 64 GLY 85 65 ASP 86 66 PRO 87 67 LEU 88 68 SER 89 69 LEU 90 70 GLY 91 71 PRO 92 72 PHE 93 73 LEU 94 74 LYS 95 75 THR 96 76 TYR 97 77 THR 98 78 PRO 99 79 GLN 100 80 SER 101 81 SER 102 82 ILE 103 83 ILE 104 84 CYS 105 85 TYR 106 86 GLY 107 87 GLN 108 88 LEU 109 89 GLY 110 90 SER 111 91 PHE 112 92 SER 113 93 ASN 114 94 CYS 115 95 SER 116 96 HIS 117 97 SER 118 98 ARG 119 99 ASN 120 100 ASP 121 101 MET 122 102 CYS 123 103 HIS 124 104 SER 125 105 LEU 126 106 GLY 127 107 LEU 128 108 THR 129 109 CYS 130 110 LEU 131 111 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2JOP "Solution Structure Of The N-Terminal Extracellular Domain Of The Lymphocyte Receptor Cd5 (Cd5 Domain 1)" 100.00 131 100.00 100.00 2.55e-90 PDB 2JP0 "Solution Structure Of The N-Terminal Extraceullular Domain Of The Lymphocyte Receptor Cd5 Calculated Using Inferential Structur" 100.00 131 99.24 99.24 1.12e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CD5d1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $CD5d1 'recombinant technology' . Escherichia coli . pet15b 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 $CD5d1 1 mM [U-15N] 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD5d1 1 mM '[U-13C; U-15N]' EDTA 1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD5d1 1 mM '[U-13C; U-15N]' EDTA 1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 3.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_ANSIG _Saveframe_category software _Name ANSIG _Version 3.3 loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HA(CACO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HA(CACO)NH' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 5.0 . pH pressure 1 . atm temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . 'separate tube (no insert) not similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCA' '3D HNCO' '3D HA(CACO)NH' '3D CBCA(CO)NH' '3D HNCACB' '2D 1H-13C HSQC' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CD5d1 _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 22 ARG N N 122.368 0.1 1 2 2 22 ARG H H 8.257 0.02 1 3 2 22 ARG C C 175.641 0.4 1 4 3 23 LEU N N 122.888 0.1 1 5 3 23 LEU H H 8.073 0.02 1 6 3 23 LEU C C 175.4 0.4 1 7 3 23 LEU CA C 54.853 0.4 1 8 3 23 LEU HA H 4.611 0.02 1 9 3 23 LEU CB C 43.099 0.4 1 10 3 23 LEU HB2 H 1.564 0.02 2 11 3 23 LEU HB3 H 1.646 0.02 2 12 3 23 LEU CG C 27.468 0.4 1 13 3 23 LEU HG H 1.565 0.02 1 14 3 23 LEU CD1 C 24.637 0.4 2 15 3 23 LEU HD1 H 0.929 0.02 2 16 3 23 LEU CD2 C 24.768 0.4 2 17 3 23 LEU HD2 H 1.039 0.02 2 18 4 24 SER N N 119.474 0.1 1 19 4 24 SER H H 8.486 0.02 1 20 4 24 SER C C 174.585 0.4 1 21 4 24 SER CA C 56.617 0.4 1 22 4 24 SER HA H 5.47 0.02 1 23 4 24 SER CB C 67.205 0.4 1 24 4 24 SER HB2 H 3.781 0.02 2 25 4 24 SER HB3 H 3.876 0.02 2 26 5 25 TRP N N 117.584 0.1 1 27 5 25 TRP H H 8.395 0.02 1 28 5 25 TRP C C 175.188 0.4 1 29 5 25 TRP NE1 N 126.209 0.1 1 30 5 25 TRP HE1 H 8.45 0.02 1 31 5 25 TRP CA C 54.858 0.4 1 32 5 25 TRP HA H 3.574 0.02 1 33 5 25 TRP CB C 26.868 0.4 1 34 5 25 TRP HB2 H 2.394 0.02 2 35 5 25 TRP HB3 H 2.849 0.02 2 36 5 25 TRP CD1 C 122.085 0.4 1 37 5 25 TRP HD1 H 5.216 0.02 1 38 5 25 TRP CE3 C 119.439 0.4 1 39 5 25 TRP HE3 H 7.285 0.02 1 40 5 25 TRP CZ2 C 113.174 0.4 1 41 5 25 TRP HZ2 H 6.825 0.02 1 42 5 25 TRP CZ3 C 124.513 0.4 1 43 5 25 TRP HZ3 H 6.932 0.02 1 44 5 25 TRP CH2 C 120.823 0.4 1 45 5 25 TRP HH2 H 6.914 0.02 1 46 6 26 TYR N N 117.941 0.1 1 47 6 26 TYR H H 7.822 0.02 1 48 6 26 TYR C C 175.742 0.4 1 49 6 26 TYR CA C 58.111 0.4 1 50 6 26 TYR HA H 4.328 0.02 1 51 6 26 TYR CB C 38.02 0.4 1 52 6 26 TYR HB2 H 2.718 0.02 2 53 6 26 TYR HB3 H 3.283 0.02 2 54 6 26 TYR CD1 C 133.26 0.4 1 55 6 26 TYR CD2 C 133.26 0.4 1 56 6 26 TYR HD1 H 7.128 0.02 1 57 6 26 TYR HD2 H 7.128 0.02 1 58 6 26 TYR CE1 C 119.431 0.4 1 59 6 26 TYR CE2 C 119.431 0.4 1 60 6 26 TYR HE1 H 6.997 0.02 1 61 6 26 TYR HE2 H 6.997 0.02 1 62 7 27 ASP N N 122.466 0.1 1 63 7 27 ASP H H 7.585 0.02 1 64 7 27 ASP CA C 53.209 0.4 1 65 7 27 ASP HA H 4.838 0.02 1 66 7 27 ASP CB C 41.774 0.4 1 67 7 27 ASP HB2 H 2.98 0.02 2 68 7 27 ASP HB3 H 3.079 0.02 2 69 8 28 PRO C C 176.521 0.4 1 70 8 28 PRO CA C 64.762 0.4 1 71 8 28 PRO HA H 4.364 0.02 1 72 8 28 PRO CB C 32.094 0.4 1 73 8 28 PRO HB2 H 1.974 0.02 2 74 8 28 PRO HB3 H 2.357 0.02 2 75 8 28 PRO CG C 27.52 0.4 1 76 8 28 PRO HG2 H 1.992 0.02 2 77 8 28 PRO HG3 H 2.068 0.02 2 78 8 28 PRO CD C 50.959 0.4 1 79 8 28 PRO HD2 H 3.868 0.02 2 80 8 28 PRO HD3 H 3.917 0.02 2 81 9 29 ASP N N 114.729 0.1 1 82 9 29 ASP H H 8.394 0.02 1 83 9 29 ASP C C 175.723 0.4 1 84 9 29 ASP CA C 53.233 0.4 1 85 9 29 ASP HA H 4.673 0.02 1 86 9 29 ASP CB C 40.333 0.4 1 87 9 29 ASP HB2 H 2.698 0.02 1 88 9 29 ASP HB3 H 2.698 0.02 1 89 10 30 PHE N N 122.392 0.1 1 90 10 30 PHE H H 7.459 0.02 1 91 10 30 PHE C C 174.902 0.4 1 92 10 30 PHE CA C 59.483 0.4 1 93 10 30 PHE HA H 4.197 0.02 1 94 10 30 PHE CB C 40.253 0.4 1 95 10 30 PHE HB2 H 2.969 0.02 2 96 10 30 PHE HB3 H 3.34 0.02 2 97 10 30 PHE HZ H 6.194 0.02 1 98 10 30 PHE CZ C 130.453 0.4 1 99 10 30 PHE CD1 C 132.193 0.4 1 100 10 30 PHE CD2 C 132.193 0.4 1 101 10 30 PHE HD1 H 7.023 0.02 1 102 10 30 PHE HD2 H 7.023 0.02 1 103 10 30 PHE CE1 C 130.443 0.4 1 104 10 30 PHE CE2 C 130.443 0.4 1 105 10 30 PHE HE1 H 6.723 0.02 1 106 10 30 PHE HE2 H 6.723 0.02 1 107 11 31 GLN N N 128.673 0.1 1 108 11 31 GLN H H 8.138 0.02 1 109 11 31 GLN C C 172.216 0.4 1 110 11 31 GLN CA C 55.624 0.4 1 111 11 31 GLN HA H 4.383 0.02 1 112 11 31 GLN CB C 31.013 0.4 1 113 11 31 GLN HB2 H 1.698 0.02 2 114 11 31 GLN HB3 H 1.77 0.02 2 115 11 31 GLN CG C 33.883 0.4 1 116 11 31 GLN HG2 H 2.063 0.02 2 117 11 31 GLN HG3 H 2.201 0.02 2 118 12 32 ALA N N 124.117 0.1 1 119 12 32 ALA H H 7.732 0.02 1 120 12 32 ALA C C 175.51 0.4 1 121 12 32 ALA CA C 49.978 0.4 1 122 12 32 ALA HA H 5.608 0.02 1 123 12 32 ALA CB C 23.642 0.4 1 124 12 32 ALA HB H 1.349 0.02 1 125 13 33 ARG N N 116.738 0.1 1 126 13 33 ARG H H 9.155 0.02 1 127 13 33 ARG C C 172.026 0.4 1 128 13 33 ARG CA C 54.741 0.4 1 129 13 33 ARG HA H 4.512 0.02 1 130 13 33 ARG CB C 32.663 0.4 1 131 13 33 ARG HB2 H 1.327 0.02 2 132 13 33 ARG HB3 H 1.477 0.02 2 133 13 33 ARG CG C 25.39 0.4 1 134 13 33 ARG HG2 H 0.702 0.02 2 135 13 33 ARG HG3 H 1.011 0.02 2 136 13 33 ARG CD C 42.641 0.4 1 137 13 33 ARG HD2 H 1.023 0.02 2 138 13 33 ARG HD3 H 2.062 0.02 2 139 14 34 LEU N N 119.054 0.1 1 140 14 34 LEU H H 8.133 0.02 1 141 14 34 LEU C C 177.899 0.4 1 142 14 34 LEU CA C 52.621 0.4 1 143 14 34 LEU HA H 5.353 0.02 1 144 14 34 LEU CB C 42.528 0.4 1 145 14 34 LEU HB2 H 0.593 0.02 2 146 14 34 LEU HB3 H 1.482 0.02 2 147 14 34 LEU CG C 26.302 0.4 1 148 14 34 LEU HG H 1.363 0.02 1 149 14 34 LEU CD1 C 24.751 0.4 2 150 14 34 LEU HD1 H 0.515 0.02 2 151 14 34 LEU CD2 C 23.528 0.4 2 152 14 34 LEU HD2 H 0.639 0.02 2 153 15 35 THR N N 113.747 0.1 1 154 15 35 THR H H 8.844 0.02 1 155 15 35 THR C C 174.739 0.4 1 156 15 35 THR CA C 59.994 0.4 1 157 15 35 THR HA H 4.649 0.02 1 158 15 35 THR CB C 71.345 0.4 1 159 15 35 THR HB H 4.149 0.02 1 160 15 35 THR CG2 C 21.968 0.4 1 161 15 35 THR HG2 H 0.756 0.02 1 162 16 36 ARG N N 111.353 0.1 1 163 16 36 ARG H H 8.403 0.02 1 164 16 36 ARG C C 175.541 0.4 1 165 16 36 ARG CA C 57.162 0.4 1 166 16 36 ARG HA H 3.841 0.02 1 167 16 36 ARG CB C 27.348 0.4 1 168 16 36 ARG CG C 26.896 0.4 1 169 16 36 ARG HG2 H 1.576 0.02 2 170 16 36 ARG HG3 H 2.065 0.02 2 171 16 36 ARG CD C 43.261 0.4 1 172 16 36 ARG HD2 H 2.951 0.02 2 173 16 36 ARG HD3 H 3.052 0.02 2 174 16 36 ARG HB2 H 2.058 0.02 1 175 16 36 ARG HB3 H 2.058 0.02 1 176 17 37 SER N N 113.204 0.1 1 177 17 37 SER H H 7.941 0.02 1 178 17 37 SER CA C 56.539 0.4 1 179 17 37 SER HA H 4.784 0.02 1 180 17 37 SER CB C 65.693 0.4 1 181 17 37 SER HB2 H 3.758 0.02 2 182 17 37 SER HB3 H 3.874 0.02 2 183 18 38 ASN C C 174.712 0.4 1 184 18 38 ASN CA C 53.222 0.4 1 185 18 38 ASN HA H 4.779 0.02 1 186 18 38 ASN CB C 38.718 0.4 1 187 18 38 ASN HB2 H 2.73 0.02 2 188 18 38 ASN HB3 H 2.875 0.02 2 189 19 39 SER N N 114.195 0.1 1 190 19 39 SER H H 8.139 0.02 1 191 19 39 SER C C 174.082 0.4 1 192 19 39 SER CA C 56.628 0.4 1 193 19 39 SER HA H 4.684 0.02 1 194 19 39 SER CB C 64.78 0.4 1 195 19 39 SER HB2 H 3.611 0.02 2 196 19 39 SER HB3 H 3.851 0.02 2 197 20 40 LYS N N 122.887 0.1 1 198 20 40 LYS H H 8.437 0.02 1 199 20 40 LYS CA C 57.878 0.4 1 200 20 40 LYS HA H 4.182 0.02 1 201 20 40 LYS CB C 32.852 0.4 1 202 20 40 LYS CG C 24.794 0.4 1 203 20 40 LYS CD C 29.205 0.4 1 204 20 40 LYS CE C 42.105 0.4 1 205 20 40 LYS HB2 H 1.827 0.02 1 206 20 40 LYS HB3 H 1.827 0.02 1 207 20 40 LYS HG2 H 1.459 0.02 1 208 20 40 LYS HG3 H 1.459 0.02 1 209 20 40 LYS HD2 H 1.673 0.02 1 210 20 40 LYS HD3 H 1.673 0.02 1 211 20 40 LYS HE2 H 2.999 0.02 1 212 20 40 LYS HE3 H 2.999 0.02 1 213 21 41 CYS C C 172.4 0.4 1 214 22 42 GLN N N 115.697 0.1 1 215 22 42 GLN H H 7.147 0.02 1 216 22 42 GLN C C 173.446 0.4 1 217 22 42 GLN CA C 54.097 0.4 1 218 22 42 GLN HA H 5.347 0.02 1 219 22 42 GLN CB C 32.969 0.4 1 220 22 42 GLN HB2 H 2.045 0.02 2 221 22 42 GLN HB3 H 2.086 0.02 2 222 22 42 GLN CG C 33.44 0.4 1 223 22 42 GLN HG2 H 2.255 0.02 1 224 22 42 GLN HG3 H 2.255 0.02 1 225 23 43 GLY N N 107.253 0.1 1 226 23 43 GLY H H 8.19 0.02 1 227 23 43 GLY C C 170.949 0.4 1 228 23 43 GLY CA C 44.497 0.4 1 229 23 43 GLY HA2 H 3.54 0.02 1 230 23 43 GLY HA3 H 4.382 0.02 1 231 24 44 GLN N N 121.246 0.1 1 232 24 44 GLN H H 8.768 0.02 1 233 24 44 GLN C C 175.464 0.4 1 234 24 44 GLN CA C 55.466 0.4 1 235 24 44 GLN HA H 4.053 0.02 1 236 24 44 GLN CB C 30.127 0.4 1 237 24 44 GLN HB2 H 1.421 0.02 2 238 24 44 GLN HB3 H 1.998 0.02 2 239 24 44 GLN CG C 35.115 0.4 1 240 24 44 GLN HG2 H 1.987 0.02 1 241 24 44 GLN HG3 H 1.987 0.02 1 242 25 45 LEU N N 126.508 0.1 1 243 25 45 LEU H H 8.304 0.02 1 244 25 45 LEU C C 175.3 0.4 1 245 25 45 LEU CA C 55.693 0.4 1 246 25 45 LEU HA H 4.559 0.02 1 247 25 45 LEU CB C 43.025 0.4 1 248 25 45 LEU HB2 H 1.13 0.02 2 249 25 45 LEU HB3 H 1.963 0.02 2 250 25 45 LEU CG C 27.698 0.4 1 251 25 45 LEU HG H 1.632 0.02 1 252 25 45 LEU CD1 C 24.319 0.4 2 253 25 45 LEU HD1 H 0.931 0.02 2 254 25 45 LEU CD2 C 26.533 0.4 2 255 25 45 LEU HD2 H 1.129 0.02 2 256 26 46 GLU N N 126.891 0.1 1 257 26 46 GLU H H 9.135 0.02 1 258 26 46 GLU C C 175.52 0.4 1 259 26 46 GLU CA C 54.462 0.4 1 260 26 46 GLU HA H 5.466 0.02 1 261 26 46 GLU CB C 33.596 0.4 1 262 26 46 GLU HB2 H 1.671 0.02 2 263 26 46 GLU HB3 H 2.006 0.02 2 264 26 46 GLU CG C 37.079 0.4 1 265 26 46 GLU HG2 H 1.984 0.02 2 266 26 46 GLU HG3 H 2.272 0.02 2 267 27 47 VAL N N 114.145 0.1 1 268 27 47 VAL H H 8.882 0.02 1 269 27 47 VAL C C 173.935 0.4 1 270 27 47 VAL CA C 58.818 0.4 1 271 27 47 VAL HA H 5.087 0.02 1 272 27 47 VAL CB C 35 0.4 1 273 27 47 VAL HB H 1.692 0.02 1 274 27 47 VAL CG1 C 19.105 0.4 2 275 27 47 VAL HG1 H 0.718 0.02 2 276 27 47 VAL CG2 C 21.432 0.4 2 277 27 47 VAL HG2 H 0.79 0.02 2 278 28 48 TYR N N 126.858 0.1 1 279 28 48 TYR H H 7.314 0.02 1 280 28 48 TYR C C 174.575 0.4 1 281 28 48 TYR CA C 56.978 0.4 1 282 28 48 TYR HA H 3.884 0.02 1 283 28 48 TYR CB C 37.557 0.4 1 284 28 48 TYR HB2 H 0.177 0.02 2 285 28 48 TYR HB3 H 2.037 0.02 2 286 28 48 TYR CD1 C 132.43 0.4 1 287 28 48 TYR CD2 C 132.43 0.4 1 288 28 48 TYR HD1 H 5.367 0.02 1 289 28 48 TYR HD2 H 5.367 0.02 1 290 28 48 TYR CE1 C 117.201 0.4 1 291 28 48 TYR CE2 C 117.201 0.4 1 292 28 48 TYR HE1 H 6.286 0.02 1 293 28 48 TYR HE2 H 6.286 0.02 1 294 29 49 LEU N N 127.271 0.1 1 295 29 49 LEU H H 7.7 0.02 1 296 29 49 LEU C C 176.235 0.4 1 297 29 49 LEU CA C 53.277 0.4 1 298 29 49 LEU HA H 4.437 0.02 1 299 29 49 LEU CB C 44.065 0.4 1 300 29 49 LEU HB2 H 1.421 0.02 2 301 29 49 LEU HB3 H 1.638 0.02 2 302 29 49 LEU CG C 27.464 0.4 1 303 29 49 LEU HG H 1.404 0.02 1 304 29 49 LEU CD1 C 25.462 0.4 2 305 29 49 LEU HD1 H 0.805 0.02 2 306 29 49 LEU CD2 C 23.84 0.4 2 307 29 49 LEU HD2 H 0.817 0.02 2 308 30 50 LYS N N 119.323 0.1 1 309 30 50 LYS H H 8.294 0.02 1 310 30 50 LYS C C 176.382 0.4 1 311 30 50 LYS CA C 59.26 0.4 1 312 30 50 LYS HA H 3.677 0.02 1 313 30 50 LYS CB C 31.259 0.4 1 314 30 50 LYS CG C 24.901 0.4 1 315 30 50 LYS CD C 29.013 0.4 1 316 30 50 LYS CE C 41.966 0.4 1 317 30 50 LYS HB2 H 1.79 0.02 1 318 30 50 LYS HB3 H 1.79 0.02 1 319 30 50 LYS HG2 H 1.321 0.02 1 320 30 50 LYS HG3 H 1.321 0.02 1 321 30 50 LYS HD2 H 1.598 0.02 1 322 30 50 LYS HD3 H 1.598 0.02 1 323 30 50 LYS HE2 H 2.925 0.02 1 324 30 50 LYS HE3 H 2.925 0.02 1 325 31 51 ASP N N 115.338 0.1 1 326 31 51 ASP H H 8.333 0.02 1 327 31 51 ASP C C 175.335 0.4 1 328 31 51 ASP CA C 53.191 0.4 1 329 31 51 ASP HA H 4.373 0.02 1 330 31 51 ASP CB C 40.149 0.4 1 331 31 51 ASP HB2 H 2.531 0.02 2 332 31 51 ASP HB3 H 2.866 0.02 2 333 32 52 GLY N N 107.061 0.1 1 334 32 52 GLY H H 6.828 0.02 1 335 32 52 GLY C C 171.236 0.4 1 336 32 52 GLY CA C 44.248 0.4 1 337 32 52 GLY HA2 H 3.322 0.02 1 338 32 52 GLY HA3 H 3.967 0.02 1 339 33 53 TRP N N 119.221 0.1 1 340 33 53 TRP H H 7.938 0.02 1 341 33 53 TRP C C 177.931 0.4 1 342 33 53 TRP NE1 N 129.884 0.1 1 343 33 53 TRP HE1 H 9.905 0.02 1 344 33 53 TRP CA C 56.769 0.4 1 345 33 53 TRP HA H 4.796 0.02 1 346 33 53 TRP CB C 30.787 0.4 1 347 33 53 TRP HB2 H 2.81 0.02 2 348 33 53 TRP HB3 H 2.995 0.02 2 349 33 53 TRP CD1 C 127.694 0.4 1 350 33 53 TRP HD1 H 7.255 0.02 1 351 33 53 TRP CE3 C 119.626 0.4 1 352 33 53 TRP HE3 H 7.015 0.02 1 353 33 53 TRP CZ2 C 114.886 0.4 1 354 33 53 TRP HZ2 H 7.137 0.02 1 355 33 53 TRP CZ3 C 123.323 0.4 1 356 33 53 TRP HZ3 H 6.676 0.02 1 357 33 53 TRP CH2 C 122.219 0.4 1 358 33 53 TRP HH2 H 6.675 0.02 1 359 34 54 HIS N N 117.884 0.1 1 360 34 54 HIS H H 9.154 0.02 1 361 34 54 HIS C C 174.931 0.4 1 362 34 54 HIS CA C 54.919 0.4 1 363 34 54 HIS HA H 5.014 0.02 1 364 34 54 HIS CB C 33.415 0.4 1 365 34 54 HIS HB2 H 2.656 0.02 2 366 34 54 HIS HB3 H 3.291 0.02 2 367 35 55 MET N N 121.928 0.1 1 368 35 55 MET H H 8.457 0.02 1 369 35 55 MET C C 174.196 0.4 1 370 35 55 MET CA C 55.946 0.4 1 371 35 55 MET HA H 5.136 0.02 1 372 35 55 MET CB C 32.552 0.4 1 373 35 55 MET HB2 H 2.063 0.02 2 374 35 55 MET HB3 H 2.174 0.02 2 375 35 55 MET CG C 32.5 0.4 1 376 35 55 MET HG2 H 2.46 0.02 2 377 35 55 MET HG3 H 2.498 0.02 2 378 35 55 MET CE C 18.405 0.4 1 379 35 55 MET HE H 2.026 0.02 1 380 36 56 VAL N N 122.395 0.1 1 381 36 56 VAL H H 8.627 0.02 1 382 36 56 VAL C C 175.575 0.4 1 383 36 56 VAL CA C 61.612 0.4 1 384 36 56 VAL HA H 4.387 0.02 1 385 36 56 VAL CB C 34.25 0.4 1 386 36 56 VAL HB H 2.098 0.02 1 387 36 56 VAL CG1 C 21.182 0.4 2 388 36 56 VAL HG1 H 0.777 0.02 2 389 36 56 VAL CG2 C 22.655 0.4 2 390 36 56 VAL HG2 H 1.162 0.02 2 391 37 57 CYS N N 123.839 0.1 1 392 37 57 CYS H H 9.069 0.02 1 393 37 57 CYS C C 177.893 0.4 1 394 37 57 CYS CA C 55.445 0.4 1 395 37 57 CYS HA H 4.695 0.02 1 396 37 57 CYS CB C 38.263 0.4 1 397 37 57 CYS HB2 H 2.619 0.02 2 398 37 57 CYS HB3 H 3.4 0.02 2 399 38 58 SER N N 121.008 0.1 1 400 38 58 SER H H 9.394 0.02 1 401 38 58 SER C C 173.681 0.4 1 402 38 58 SER CA C 62.32 0.4 1 403 38 58 SER HA H 4.073 0.02 1 404 38 58 SER CB C 63.101 0.4 1 405 38 58 SER HB2 H 3.74 0.02 2 406 38 58 SER HB3 H 4.107 0.02 2 407 39 59 GLN N N 120.169 0.1 1 408 39 59 GLN H H 8.454 0.02 1 409 39 59 GLN C C 175.547 0.4 1 410 39 59 GLN CA C 56.116 0.4 1 411 39 59 GLN HA H 4.747 0.02 1 412 39 59 GLN CB C 27.684 0.4 1 413 39 59 GLN CG C 34.303 0.4 1 414 39 59 GLN HG2 H 2.135 0.02 2 415 39 59 GLN HG3 H 2.465 0.02 2 416 39 59 GLN HB2 H 2.081 0.02 1 417 39 59 GLN HB3 H 2.081 0.02 1 418 40 60 SER N N 117.113 0.1 1 419 40 60 SER H H 7.424 0.02 1 420 40 60 SER C C 172.608 0.4 1 421 40 60 SER CA C 61.005 0.4 1 422 40 60 SER HA H 3.848 0.02 1 423 40 60 SER CB C 63.751 0.4 1 424 40 60 SER HB2 H 1.719 0.02 2 425 40 60 SER HB3 H 2.793 0.02 2 426 41 61 TRP N N 115.616 0.1 1 427 41 61 TRP H H 8.385 0.02 1 428 41 61 TRP C C 176.487 0.4 1 429 41 61 TRP NE1 N 131.598 0.1 1 430 41 61 TRP HE1 H 10.255 0.02 1 431 41 61 TRP CA C 59.426 0.4 1 432 41 61 TRP HA H 4.141 0.02 1 433 41 61 TRP CB C 24.476 0.4 1 434 41 61 TRP HB2 H 3.13 0.02 2 435 41 61 TRP HB3 H 3.328 0.02 2 436 41 61 TRP CD1 C 127.502 0.4 1 437 41 61 TRP HD1 H 6.311 0.02 1 438 41 61 TRP CE3 C 121.325 0.4 1 439 41 61 TRP HE3 H 7.224 0.02 1 440 41 61 TRP CZ2 C 113.379 0.4 1 441 41 61 TRP HZ2 H 5.638 0.02 1 442 41 61 TRP CZ3 C 123.621 0.4 1 443 41 61 TRP HZ3 H 6.436 0.02 1 444 41 61 TRP CH2 C 121.41 0.4 1 445 41 61 TRP HH2 H 6.864 0.02 1 446 42 62 GLY N N 105.538 0.1 1 447 42 62 GLY H H 8.17 0.02 1 448 42 62 GLY C C 175.346 0.4 1 449 42 62 GLY CA C 46.043 0.4 1 450 42 62 GLY HA2 H 3.85 0.02 1 451 42 62 GLY HA3 H 4.003 0.02 1 452 43 63 ARG N N 119.895 0.1 1 453 43 63 ARG H H 7.203 0.02 1 454 43 63 ARG C C 176.553 0.4 1 455 43 63 ARG CA C 55.679 0.4 1 456 43 63 ARG HA H 4.188 0.02 1 457 43 63 ARG CB C 30.431 0.4 1 458 43 63 ARG HB2 H 1.766 0.02 2 459 43 63 ARG HB3 H 2.173 0.02 2 460 43 63 ARG CG C 27.2 0.4 1 461 43 63 ARG CD C 42.448 0.4 1 462 43 63 ARG HD2 H 2.567 0.02 2 463 43 63 ARG HD3 H 2.674 0.02 2 464 43 63 ARG HG2 H 1.455 0.02 1 465 43 63 ARG HG3 H 1.455 0.02 1 466 44 64 SER N N 114.627 0.1 1 467 44 64 SER H H 8.09 0.02 1 468 44 64 SER C C 175.259 0.4 1 469 44 64 SER CA C 57.56 0.4 1 470 44 64 SER HA H 4.547 0.02 1 471 44 64 SER CB C 64.212 0.4 1 472 44 64 SER HB2 H 3.874 0.02 2 473 44 64 SER HB3 H 3.969 0.02 2 474 45 65 SER N N 116.655 0.1 1 475 45 65 SER H H 8.428 0.02 1 476 45 65 SER C C 174.345 0.4 1 477 45 65 SER CA C 59.125 0.4 1 478 45 65 SER HA H 4.251 0.02 1 479 45 65 SER CB C 62.438 0.4 1 480 45 65 SER HB2 H 3.829 0.02 2 481 45 65 SER HB3 H 3.883 0.02 2 482 46 66 LYS N N 120.615 0.1 1 483 46 66 LYS H H 7.916 0.02 1 484 46 66 LYS C C 176.26 0.4 1 485 46 66 LYS CA C 55.704 0.4 1 486 46 66 LYS HA H 4.399 0.02 1 487 46 66 LYS CB C 33.739 0.4 1 488 46 66 LYS HB2 H 1.716 0.02 2 489 46 66 LYS HB3 H 1.894 0.02 2 490 46 66 LYS CG C 24.499 0.4 1 491 46 66 LYS CD C 29.088 0.4 1 492 46 66 LYS CE C 41.986 0.4 1 493 46 66 LYS HG2 H 1.371 0.02 1 494 46 66 LYS HG3 H 1.371 0.02 1 495 46 66 LYS HD2 H 1.66 0.02 1 496 46 66 LYS HD3 H 1.66 0.02 1 497 46 66 LYS HE2 H 2.971 0.02 1 498 46 66 LYS HE3 H 2.971 0.02 1 499 47 67 GLN N N 119.312 0.1 1 500 47 67 GLN H H 8.06 0.02 1 501 47 67 GLN C C 176.212 0.4 1 502 47 67 GLN CA C 56.67 0.4 1 503 47 67 GLN HA H 4.481 0.02 1 504 47 67 GLN CB C 29.165 0.4 1 505 47 67 GLN CG C 34.016 0.4 1 506 47 67 GLN HB2 H 2.061 0.02 1 507 47 67 GLN HB3 H 2.061 0.02 1 508 47 67 GLN HG2 H 2.363 0.02 1 509 47 67 GLN HG3 H 2.363 0.02 1 510 48 68 TRP N N 124.356 0.1 1 511 48 68 TRP H H 8.704 0.02 1 512 48 68 TRP C C 176.872 0.4 1 513 48 68 TRP NE1 N 129.815 0.1 1 514 48 68 TRP HE1 H 10.465 0.02 1 515 48 68 TRP CA C 57.331 0.4 1 516 48 68 TRP HA H 4.734 0.02 1 517 48 68 TRP CB C 28.823 0.4 1 518 48 68 TRP HB2 H 3.103 0.02 2 519 48 68 TRP HB3 H 3.597 0.02 2 520 48 68 TRP CD1 C 126.443 0.4 1 521 48 68 TRP HD1 H 7.539 0.02 1 522 48 68 TRP CE3 C 121.454 0.4 1 523 48 68 TRP HE3 H 7.667 0.02 1 524 48 68 TRP CZ2 C 114.925 0.4 1 525 48 68 TRP HZ2 H 7.836 0.02 1 526 48 68 TRP CZ3 C 124.623 0.4 1 527 48 68 TRP HZ3 H 7.278 0.02 1 528 48 68 TRP CH2 C 121.413 0.4 1 529 48 68 TRP HH2 H 7.06 0.02 1 530 49 69 GLU N N 121.287 0.1 1 531 49 69 GLU H H 8.585 0.02 1 532 49 69 GLU C C 176.048 0.4 1 533 49 69 GLU CA C 57.522 0.4 1 534 49 69 GLU HA H 4.325 0.02 1 535 49 69 GLU CB C 30.091 0.4 1 536 49 69 GLU HB2 H 2.008 0.02 2 537 49 69 GLU HB3 H 2.129 0.02 2 538 49 69 GLU CG C 36.13 0.4 1 539 49 69 GLU HG2 H 2.356 0.02 1 540 49 69 GLU HG3 H 2.356 0.02 1 541 50 70 ASP N N 117.025 0.1 1 542 50 70 ASP H H 8.385 0.02 1 543 50 70 ASP CA C 50.892 0.4 1 544 50 70 ASP HA H 5.17 0.02 1 545 50 70 ASP CB C 41.174 0.4 1 546 50 70 ASP HB2 H 2.678 0.02 2 547 50 70 ASP HB3 H 2.883 0.02 2 548 51 71 PRO C C 176.757 0.4 1 549 51 71 PRO CA C 63.914 0.4 1 550 51 71 PRO HA H 4.37 0.02 1 551 51 71 PRO CB C 31.633 0.4 1 552 51 71 PRO HB2 H 1.677 0.02 2 553 51 71 PRO HB3 H 1.937 0.02 2 554 51 71 PRO CG C 26.765 0.4 1 555 51 71 PRO HG2 H 1.862 0.02 2 556 51 71 PRO HG3 H 1.952 0.02 2 557 51 71 PRO CD C 50.723 0.4 1 558 51 71 PRO HD2 H 3.784 0.02 2 559 51 71 PRO HD3 H 3.996 0.02 2 560 52 72 SER N N 114.645 0.1 1 561 52 72 SER H H 8.024 0.02 1 562 52 72 SER C C 177.139 0.4 1 563 52 72 SER CB C 62.045 0.4 1 564 52 72 SER HB2 H 3.953 0.02 1 565 52 72 SER HB3 H 3.953 0.02 1 566 53 73 GLN N N 120.745 0.1 1 567 53 73 GLN H H 7.808 0.02 1 568 53 73 GLN C C 176.231 0.4 1 569 53 73 GLN CA C 57.595 0.4 1 570 53 73 GLN HA H 4.342 0.02 1 571 53 73 GLN CB C 28.702 0.4 1 572 53 73 GLN HB2 H 2.014 0.02 2 573 53 73 GLN HB3 H 2.565 0.02 2 574 53 73 GLN CG C 33.99 0.4 1 575 53 73 GLN HG2 H 2.58 0.02 1 576 53 73 GLN HG3 H 2.58 0.02 1 577 54 74 ALA N N 118.696 0.1 1 578 54 74 ALA H H 7.718 0.02 1 579 54 74 ALA C C 177.14 0.4 1 580 54 74 ALA CA C 50.952 0.4 1 581 54 74 ALA HA H 3.67 0.02 1 582 54 74 ALA CB C 19.042 0.4 1 583 54 74 ALA HB H 0.934 0.02 1 584 55 75 SER N N 116.806 0.1 1 585 55 75 SER H H 7.635 0.02 1 586 55 75 SER C C 176.266 0.4 1 587 55 75 SER CA C 62.948 0.4 1 588 55 75 SER HA H 3.553 0.02 1 589 55 75 SER CB C 62.358 0.4 1 590 55 75 SER HB2 H 3.95 0.02 1 591 55 75 SER HB3 H 3.95 0.02 1 592 56 76 LYS N N 119.627 0.1 1 593 56 76 LYS H H 8.365 0.02 1 594 56 76 LYS C C 178.418 0.4 1 595 56 76 LYS CA C 58.117 0.4 1 596 56 76 LYS HA H 3.969 0.02 1 597 56 76 LYS CB C 31.05 0.4 1 598 56 76 LYS CG C 25.253 0.4 1 599 56 76 LYS HG2 H 1.449 0.02 2 600 56 76 LYS HG3 H 1.519 0.02 2 601 56 76 LYS CD C 28.168 0.4 1 602 56 76 LYS CE C 42.107 0.4 1 603 56 76 LYS HB2 H 1.698 0.02 1 604 56 76 LYS HB3 H 1.698 0.02 1 605 56 76 LYS HD2 H 1.681 0.02 1 606 56 76 LYS HD3 H 1.681 0.02 1 607 56 76 LYS HE2 H 2.999 0.02 1 608 56 76 LYS HE3 H 2.999 0.02 1 609 57 77 VAL N N 118.506 0.1 1 610 57 77 VAL H H 6.768 0.02 1 611 57 77 VAL C C 177.575 0.4 1 612 57 77 VAL CA C 65.844 0.4 1 613 57 77 VAL HA H 3.441 0.02 1 614 57 77 VAL CB C 30.816 0.4 1 615 57 77 VAL HB H 1.67 0.02 1 616 57 77 VAL CG1 C 21.728 0.4 2 617 57 77 VAL HG1 H 0.31 0.02 2 618 57 77 VAL CG2 C 21.37 0.4 2 619 57 77 VAL HG2 H 0.562 0.02 2 620 58 78 CYS N N 114.984 0.1 1 621 58 78 CYS H H 7.1 0.02 1 622 58 78 CYS C C 176.831 0.4 1 623 58 78 CYS CA C 57.795 0.4 1 624 58 78 CYS HA H 4.069 0.02 1 625 58 78 CYS CB C 39.441 0.4 1 626 58 78 CYS HB2 H 2.605 0.02 2 627 58 78 CYS HB3 H 3.676 0.02 2 628 59 79 GLN N N 118.29 0.1 1 629 59 79 GLN H H 7.822 0.02 1 630 59 79 GLN C C 180.468 0.4 1 631 59 79 GLN CA C 59.29 0.4 1 632 59 79 GLN HA H 4.057 0.02 1 633 59 79 GLN CB C 28.65 0.4 1 634 59 79 GLN CG C 33.838 0.4 1 635 59 79 GLN HG2 H 2.307 0.02 2 636 59 79 GLN HG3 H 2.488 0.02 2 637 59 79 GLN HB2 H 2.076 0.02 1 638 59 79 GLN HB3 H 2.076 0.02 1 639 60 80 ARG N N 121.716 0.1 1 640 60 80 ARG H H 8.018 0.02 1 641 60 80 ARG C C 177.797 0.4 1 642 60 80 ARG CA C 58.22 0.4 1 643 60 80 ARG HA H 4.146 0.02 1 644 60 80 ARG CB C 29.167 0.4 1 645 60 80 ARG CG C 27.552 0.4 1 646 60 80 ARG CD C 42.992 0.4 1 647 60 80 ARG HB2 H 2.098 0.02 1 648 60 80 ARG HB3 H 2.098 0.02 1 649 60 80 ARG HG2 H 1.883 0.02 1 650 60 80 ARG HG3 H 1.883 0.02 1 651 60 80 ARG HD2 H 3.382 0.02 1 652 60 80 ARG HD3 H 3.382 0.02 1 653 61 81 LEU N N 118.226 0.1 1 654 61 81 LEU H H 7.243 0.02 1 655 61 81 LEU C C 175.758 0.4 1 656 61 81 LEU CA C 54.819 0.4 1 657 61 81 LEU HA H 4.229 0.02 1 658 61 81 LEU CB C 42.55 0.4 1 659 61 81 LEU CG C 26.427 0.4 1 660 61 81 LEU HG H 1.76 0.02 1 661 61 81 LEU CD1 C 26.32 0.4 2 662 61 81 LEU HD1 H 0.692 0.02 2 663 61 81 LEU CD2 C 22.685 0.4 2 664 61 81 LEU HD2 H 0.806 0.02 2 665 61 81 LEU HB2 H 1.702 0.02 1 666 61 81 LEU HB3 H 1.702 0.02 1 667 62 82 ASN N N 112.971 0.1 1 668 62 82 ASN H H 8.027 0.02 1 669 62 82 ASN C C 174.824 0.4 1 670 62 82 ASN CA C 54.407 0.4 1 671 62 82 ASN HA H 4.412 0.02 1 672 62 82 ASN CB C 36.793 0.4 1 673 62 82 ASN HB2 H 2.949 0.02 2 674 62 82 ASN HB3 H 3.108 0.02 2 675 63 83 CYS N N 116.476 0.1 1 676 63 83 CYS H H 7.728 0.02 1 677 63 83 CYS C C 173.827 0.4 1 678 63 83 CYS CA C 54.975 0.4 1 679 63 83 CYS HA H 4.867 0.02 1 680 63 83 CYS CB C 44.929 0.4 1 681 63 83 CYS HB2 H 2.956 0.02 2 682 63 83 CYS HB3 H 3.225 0.02 2 683 64 84 GLY N N 109.547 0.1 1 684 64 84 GLY H H 8.328 0.02 1 685 64 84 GLY C C 171.505 0.4 1 686 64 84 GLY CA C 44.235 0.4 1 687 64 84 GLY HA2 H 3.385 0.02 1 688 64 84 GLY HA3 H 4.157 0.02 1 689 65 85 ASP N N 116.159 0.1 1 690 65 85 ASP H H 7.653 0.02 1 691 65 85 ASP CA C 53.511 0.4 1 692 65 85 ASP HA H 4.546 0.02 1 693 65 85 ASP CB C 40.151 0.4 1 694 65 85 ASP HB2 H 2.294 0.02 2 695 65 85 ASP HB3 H 2.524 0.02 2 696 66 86 PRO C C 176.046 0.4 1 697 66 86 PRO CA C 63.7 0.4 1 698 66 86 PRO HA H 4.554 0.02 1 699 66 86 PRO CB C 32.89 0.4 1 700 66 86 PRO HB2 H 1.544 0.02 2 701 66 86 PRO HB3 H 1.874 0.02 2 702 66 86 PRO CG C 28.425 0.4 1 703 66 86 PRO HG2 H 1.609 0.02 2 704 66 86 PRO HG3 H 1.881 0.02 2 705 66 86 PRO CD C 50.1 0.4 1 706 66 86 PRO HD2 H 3.582 0.02 2 707 66 86 PRO HD3 H 3.67 0.02 2 708 67 87 LEU N N 122.564 0.1 1 709 67 87 LEU H H 9.215 0.02 1 710 67 87 LEU C C 177.248 0.4 1 711 67 87 LEU CA C 55.179 0.4 1 712 67 87 LEU HA H 4.49 0.02 1 713 67 87 LEU CB C 44.811 0.4 1 714 67 87 LEU HB2 H 1.32 0.02 2 715 67 87 LEU HB3 H 1.418 0.02 2 716 67 87 LEU CG C 26.834 0.4 1 717 67 87 LEU HG H 1.49 0.02 1 718 67 87 LEU CD1 C 24.523 0.4 2 719 67 87 LEU HD1 H 0.786 0.02 2 720 67 87 LEU CD2 C 23.997 0.4 2 721 67 87 LEU HD2 H 0.774 0.02 2 722 68 88 SER N N 109.627 0.1 1 723 68 88 SER H H 7.648 0.02 1 724 68 88 SER C C 171.629 0.4 1 725 68 88 SER CA C 57.435 0.4 1 726 68 88 SER HA H 4.64 0.02 1 727 68 88 SER CB C 65.136 0.4 1 728 68 88 SER HB2 H 3.634 0.02 2 729 68 88 SER HB3 H 3.699 0.02 2 730 69 89 LEU N N 124.882 0.1 1 731 69 89 LEU H H 8.613 0.02 1 732 69 89 LEU C C 174.463 0.4 1 733 69 89 LEU CA C 54.939 0.4 1 734 69 89 LEU HA H 5.171 0.02 1 735 69 89 LEU CB C 46.183 0.4 1 736 69 89 LEU HB2 H 1.111 0.02 2 737 69 89 LEU HB3 H 1.331 0.02 2 738 69 89 LEU CG C 27.897 0.4 1 739 69 89 LEU HG H 1.33 0.02 1 740 69 89 LEU CD1 C 26.387 0.4 2 741 69 89 LEU HD1 H 0.51 0.02 2 742 69 89 LEU CD2 C 24.562 0.4 2 743 69 89 LEU HD2 H 0.692 0.02 2 744 70 90 GLY N N 108.817 0.1 1 745 70 90 GLY H H 8.084 0.02 1 746 70 90 GLY CA C 45.414 0.4 1 747 70 90 GLY HA2 H 3.677 0.02 1 748 70 90 GLY HA3 H 4.299 0.02 1 749 71 91 PRO C C 176.172 0.4 1 750 71 91 PRO CA C 63.311 0.4 1 751 71 91 PRO HA H 4.619 0.02 1 752 71 91 PRO CB C 31.778 0.4 1 753 71 91 PRO HB2 H 1.736 0.02 2 754 71 91 PRO HB3 H 1.963 0.02 2 755 71 91 PRO CG C 27.574 0.4 1 756 71 91 PRO HG2 H 1.854 0.02 2 757 71 91 PRO HG3 H 2.018 0.02 2 758 71 91 PRO CD C 49.102 0.4 1 759 71 91 PRO HD2 H 3.276 0.02 1 760 71 91 PRO HD3 H 3.276 0.02 1 761 72 92 PHE N N 125.498 0.1 1 762 72 92 PHE H H 9.101 0.02 1 763 72 92 PHE C C 175.437 0.4 1 764 72 92 PHE CA C 57.182 0.4 1 765 72 92 PHE HA H 4.758 0.02 1 766 72 92 PHE CB C 39.706 0.4 1 767 72 92 PHE HB2 H 2.799 0.02 2 768 72 92 PHE HB3 H 3.158 0.02 2 769 72 92 PHE HD1 H 7.2 0.02 1 770 72 92 PHE HD2 H 7.2 0.02 1 771 72 92 PHE CD1 C 131.67 0.4 1 772 72 92 PHE CD2 C 131.67 0.4 1 773 73 93 LEU N N 123.63 0.1 1 774 73 93 LEU H H 7.506 0.02 1 775 73 93 LEU C C 176.862 0.4 1 776 73 93 LEU CA C 55.192 0.4 1 777 73 93 LEU HA H 4.176 0.02 1 778 73 93 LEU CB C 42.817 0.4 1 779 73 93 LEU CG C 26.533 0.4 1 780 73 93 LEU HG H 1.008 0.02 1 781 73 93 LEU CD1 C 22.859 0.4 2 782 73 93 LEU HD1 H 0.531 0.02 2 783 73 93 LEU CD2 C 25.041 0.4 2 784 73 93 LEU HD2 H 0.681 0.02 2 785 73 93 LEU HB2 H 1.371 0.02 1 786 73 93 LEU HB3 H 1.371 0.02 1 787 74 94 LYS N N 120.068 0.1 1 788 74 94 LYS H H 7.42 0.02 1 789 74 94 LYS C C 175.853 0.4 1 790 74 94 LYS CA C 56.375 0.4 1 791 74 94 LYS HA H 4.099 0.02 1 792 74 94 LYS CB C 32.999 0.4 1 793 74 94 LYS HB2 H 1.397 0.02 2 794 74 94 LYS HB3 H 1.576 0.02 2 795 74 94 LYS CG C 25.033 0.4 1 796 74 94 LYS CD C 29.003 0.4 1 797 74 94 LYS CE C 41.926 0.4 1 798 74 94 LYS HG2 H 1.058 0.02 1 799 74 94 LYS HG3 H 1.058 0.02 1 800 74 94 LYS HD2 H 1.527 0.02 1 801 74 94 LYS HD3 H 1.527 0.02 1 802 74 94 LYS HE2 H 2.841 0.02 1 803 74 94 LYS HE3 H 2.841 0.02 1 804 75 95 THR N N 114.774 0.1 1 805 75 95 THR H H 7.713 0.02 1 806 75 95 THR C C 173.622 0.4 1 807 75 95 THR CA C 61.405 0.4 1 808 75 95 THR HA H 4.308 0.02 1 809 75 95 THR CB C 70.075 0.4 1 810 75 95 THR HB H 4.074 0.02 1 811 75 95 THR CG2 C 21.549 0.4 1 812 75 95 THR HG2 H 1.136 0.02 1 813 76 96 TYR N N 123.503 0.1 1 814 76 96 TYR H H 8.265 0.02 1 815 76 96 TYR C C 175.314 0.4 1 816 76 96 TYR CA C 57.766 0.4 1 817 76 96 TYR HA H 4.692 0.02 1 818 76 96 TYR CB C 39.281 0.4 1 819 76 96 TYR HB2 H 2.903 0.02 2 820 76 96 TYR HB3 H 3.049 0.02 2 821 76 96 TYR HD1 H 7.043 0.02 1 822 76 96 TYR HD2 H 7.043 0.02 1 823 76 96 TYR CD1 C 133.375 0.4 1 824 76 96 TYR CD2 C 133.375 0.4 1 825 76 96 TYR CE1 C 118.141 0.4 1 826 76 96 TYR CE2 C 118.141 0.4 1 827 76 96 TYR HE1 H 6.715 0.02 1 828 76 96 TYR HE2 H 6.715 0.02 1 829 77 97 THR N N 116.627 0.1 1 830 77 97 THR H H 7.913 0.02 1 831 77 97 THR CA C 59.112 0.4 1 832 77 97 THR HA H 4.564 0.02 1 833 77 97 THR CB C 69.835 0.4 1 834 77 97 THR HB H 4.118 0.02 1 835 77 97 THR CG2 C 21.545 0.4 1 836 77 97 THR HG2 H 1.13 0.02 1 837 78 98 PRO C C 176.986 0.4 1 838 78 98 PRO CA C 63.656 0.4 1 839 78 98 PRO HA H 4.408 0.02 1 840 78 98 PRO HB2 H 1.965 0.02 2 841 78 98 PRO HB3 H 2.226 0.02 2 842 78 98 PRO CG C 27.363 0.4 1 843 78 98 PRO CD C 51.047 0.4 1 844 78 98 PRO HG2 H 1.963 0.02 1 845 78 98 PRO HG3 H 1.963 0.02 1 846 78 98 PRO HD2 H 3.63 0.02 1 847 78 98 PRO HD3 H 3.63 0.02 1 848 79 99 GLN N N 119.804 0.1 1 849 79 99 GLN H H 8.251 0.02 1 850 79 99 GLN CA C 56.11 0.4 1 851 79 99 GLN HA H 4.335 0.02 1 852 79 99 GLN HB2 H 2.057 0.02 1 853 79 99 GLN HB3 H 2.057 0.02 1 854 79 99 GLN HG2 H 2.362 0.02 1 855 79 99 GLN HG3 H 2.362 0.02 1 856 80 100 SER C C 175.325 0.4 1 857 80 100 SER CA C 58.534 0.4 1 858 80 100 SER HA H 4.555 0.02 1 859 80 100 SER CB C 63.278 0.4 1 860 80 100 SER HB2 H 3.939 0.02 2 861 80 100 SER HB3 H 3.991 0.02 2 862 81 101 SER N N 119.786 0.1 1 863 81 101 SER H H 8.279 0.02 1 864 81 101 SER C C 174.531 0.4 1 865 81 101 SER CA C 57.869 0.4 1 866 81 101 SER HA H 5.096 0.02 1 867 81 101 SER CB C 65.575 0.4 1 868 81 101 SER HB2 H 3.756 0.02 2 869 81 101 SER HB3 H 3.834 0.02 2 870 82 102 ILE N N 114.996 0.1 1 871 82 102 ILE H H 8.426 0.02 1 872 82 102 ILE C C 173.178 0.4 1 873 82 102 ILE CA C 58.998 0.4 1 874 82 102 ILE HA H 5.054 0.02 1 875 82 102 ILE CB C 41.858 0.4 1 876 82 102 ILE HB H 1.48 0.02 1 877 82 102 ILE CG1 C 24.433 0.4 1 878 82 102 ILE HG12 H 1.262 0.02 2 879 82 102 ILE HG13 H 1.471 0.02 2 880 82 102 ILE CG2 C 16.931 0.4 1 881 82 102 ILE HG2 H 0.295 0.02 1 882 82 102 ILE CD1 C 14.26 0.4 1 883 82 102 ILE HD1 H 0.683 0.02 1 884 83 103 ILE N N 121.361 0.1 1 885 83 103 ILE H H 8.609 0.02 1 886 83 103 ILE C C 173.745 0.4 1 887 83 103 ILE CA C 59.14 0.4 1 888 83 103 ILE HA H 3.936 0.02 1 889 83 103 ILE CB C 41.05 0.4 1 890 83 103 ILE HB H 1.313 0.02 1 891 83 103 ILE CG1 C 28.995 0.4 1 892 83 103 ILE HG12 H 0.483 0.02 2 893 83 103 ILE HG13 H 1.164 0.02 2 894 83 103 ILE CG2 C 16.542 0.4 1 895 83 103 ILE HG2 H 0.481 0.02 1 896 83 103 ILE CD1 C 14.26 0.4 1 897 83 103 ILE HD1 H 0.689 0.02 1 898 84 104 CYS N N 123.057 0.1 1 899 84 104 CYS H H 7.187 0.02 1 900 84 104 CYS C C 172.326 0.4 1 901 84 104 CYS CA C 54.862 0.4 1 902 84 104 CYS HA H 4.951 0.02 1 903 84 104 CYS CB C 46.483 0.4 1 904 84 104 CYS HB2 H 1.398 0.02 2 905 84 104 CYS HB3 H 2.889 0.02 2 906 85 105 TYR N N 120.754 0.1 1 907 85 105 TYR H H 8.191 0.02 1 908 85 105 TYR C C 175.706 0.4 1 909 85 105 TYR CA C 56.971 0.4 1 910 85 105 TYR HA H 4.634 0.02 1 911 85 105 TYR CB C 41.106 0.4 1 912 85 105 TYR HB2 H 2.694 0.02 2 913 85 105 TYR HB3 H 3.121 0.02 2 914 85 105 TYR CD1 C 133.377 0.4 1 915 85 105 TYR CD2 C 133.377 0.4 1 916 85 105 TYR HD1 H 7.035 0.02 1 917 85 105 TYR HD2 H 7.035 0.02 1 918 85 105 TYR CE1 C 117.877 0.4 1 919 85 105 TYR CE2 C 117.877 0.4 1 920 85 105 TYR HE1 H 6.582 0.02 1 921 85 105 TYR HE2 H 6.582 0.02 1 922 86 106 GLY N N 109.919 0.1 1 923 86 106 GLY H H 8.836 0.02 1 924 86 106 GLY C C 173.662 0.4 1 925 86 106 GLY CA C 44.411 0.4 1 926 86 106 GLY HA2 H 3.664 0.02 2 927 86 106 GLY HA3 H 4.459 0.02 2 928 87 107 GLN N N 122.863 0.1 1 929 87 107 GLN H H 8.295 0.02 1 930 87 107 GLN C C 174.844 0.4 1 931 87 107 GLN CA C 55.693 0.4 1 932 87 107 GLN HA H 3.962 0.02 1 933 87 107 GLN CB C 29.366 0.4 1 934 87 107 GLN CG C 33.728 0.4 1 935 87 107 GLN HB2 H 1.824 0.02 1 936 87 107 GLN HB3 H 1.824 0.02 1 937 87 107 GLN HG2 H 2.297 0.02 1 938 87 107 GLN HG3 H 2.297 0.02 1 939 88 108 LEU N N 123.243 0.1 1 940 88 108 LEU H H 7.843 0.02 1 941 88 108 LEU C C 176.728 0.4 1 942 88 108 LEU CA C 56.339 0.4 1 943 88 108 LEU HA H 2.31 0.02 1 944 88 108 LEU CB C 41.829 0.4 1 945 88 108 LEU HB2 H 1.253 0.02 2 946 88 108 LEU HB3 H 1.325 0.02 2 947 88 108 LEU CG C 26.532 0.4 1 948 88 108 LEU HG H 0.984 0.02 1 949 88 108 LEU CD1 C 24.831 0.4 2 950 88 108 LEU HD1 H 0.552 0.02 2 951 88 108 LEU CD2 C 25.712 0.4 2 952 88 108 LEU HD2 H 0.749 0.02 2 953 89 109 GLY N N 108.808 0.1 1 954 89 109 GLY H H 2.821 0.02 1 955 89 109 GLY C C 171.39 0.4 1 956 89 109 GLY CA C 42.802 0.4 1 957 89 109 GLY HA2 H 0.452 0.02 1 958 89 109 GLY HA3 H 2.208 0.02 1 959 90 110 SER N N 112.313 0.1 1 960 90 110 SER H H 7.329 0.02 1 961 90 110 SER C C 176.852 0.4 1 962 90 110 SER CA C 57.74 0.4 1 963 90 110 SER HA H 4.472 0.02 1 964 90 110 SER CB C 64.198 0.4 1 965 90 110 SER HB2 H 3.823 0.02 2 966 90 110 SER HB3 H 4.004 0.02 2 967 91 111 PHE N N 126.408 0.1 1 968 91 111 PHE H H 9.12 0.02 1 969 91 111 PHE C C 173.828 0.4 1 970 91 111 PHE CA C 58.017 0.4 1 971 91 111 PHE HA H 4.898 0.02 1 972 91 111 PHE CB C 39.012 0.4 1 973 91 111 PHE HB2 H 2.415 0.02 2 974 91 111 PHE HB3 H 3.703 0.02 2 975 91 111 PHE CZ C 127.735 0.4 1 976 91 111 PHE HZ H 7.316 0.02 1 977 91 111 PHE CD1 C 133.596 0.4 1 978 91 111 PHE CD2 C 133.596 0.4 1 979 91 111 PHE HD1 H 7.197 0.02 1 980 91 111 PHE HD2 H 7.197 0.02 1 981 91 111 PHE CE1 C 131.504 0.4 1 982 91 111 PHE CE2 C 131.504 0.4 1 983 91 111 PHE HE1 H 7.045 0.02 1 984 91 111 PHE HE2 H 7.045 0.02 1 985 92 112 SER N N 113.32 0.1 1 986 92 112 SER H H 7.687 0.02 1 987 92 112 SER C C 174.333 0.4 1 988 92 112 SER CA C 59.884 0.4 1 989 92 112 SER HA H 4.422 0.02 1 990 92 112 SER CB C 64.121 0.4 1 991 92 112 SER HB2 H 3.94 0.02 1 992 92 112 SER HB3 H 3.94 0.02 1 993 93 113 ASN N N 123.006 0.1 1 994 93 113 ASN H H 9.119 0.02 1 995 93 113 ASN C C 173.199 0.4 1 996 93 113 ASN CA C 51.883 0.4 1 997 93 113 ASN HA H 5.031 0.02 1 998 93 113 ASN CB C 38.677 0.4 1 999 93 113 ASN HB2 H 2.558 0.02 2 1000 93 113 ASN HB3 H 2.968 0.02 2 1001 94 114 CYS N N 118.967 0.1 1 1002 94 114 CYS H H 8.278 0.02 1 1003 94 114 CYS C C 173.841 0.4 1 1004 94 114 CYS CA C 55.576 0.4 1 1005 94 114 CYS HA H 5.59 0.02 1 1006 94 114 CYS CB C 49.475 0.4 1 1007 94 114 CYS HB2 H 2.453 0.02 2 1008 94 114 CYS HB3 H 3.045 0.02 2 1009 95 115 SER N N 116.731 0.1 1 1010 95 115 SER H H 9.063 0.02 1 1011 95 115 SER C C 173.685 0.4 1 1012 95 115 SER CA C 56.735 0.4 1 1013 95 115 SER HA H 4.714 0.02 1 1014 95 115 SER CB C 65.691 0.4 1 1015 95 115 SER HB2 H 3.836 0.02 1 1016 95 115 SER HB3 H 3.836 0.02 1 1017 96 116 HIS N N 120.706 0.1 1 1018 96 116 HIS H H 8.692 0.02 1 1019 96 116 HIS C C 174.943 0.4 1 1020 96 116 HIS CA C 56.07 0.4 1 1021 96 116 HIS HA H 4.821 0.02 1 1022 96 116 HIS CB C 29.264 0.4 1 1023 96 116 HIS HB2 H 3.188 0.02 1 1024 96 116 HIS HB3 H 3.188 0.02 1 1025 97 117 SER N N 119.268 0.1 1 1026 97 117 SER H H 8.181 0.02 1 1027 97 117 SER C C 174.625 0.4 1 1028 97 117 SER CA C 57.682 0.4 1 1029 97 117 SER HA H 4.335 0.02 1 1030 97 117 SER CB C 63.852 0.4 1 1031 97 117 SER HB2 H 3.638 0.02 1 1032 97 117 SER HB3 H 3.638 0.02 1 1033 98 118 ARG N N 124.037 0.1 1 1034 98 118 ARG H H 8.469 0.02 1 1035 98 118 ARG C C 176.3 0.4 1 1036 98 118 ARG CA C 56.569 0.4 1 1037 98 118 ARG HA H 4.296 0.02 1 1038 98 118 ARG CB C 30.518 0.4 1 1039 98 118 ARG HB2 H 1.735 0.02 2 1040 98 118 ARG HB3 H 1.885 0.02 2 1041 98 118 ARG CG C 27.257 0.4 1 1042 98 118 ARG HG2 H 1.61 0.02 1 1043 98 118 ARG HG3 H 1.61 0.02 1 1044 98 118 ARG HD2 H 3.184 0.02 1 1045 98 118 ARG HD3 H 3.184 0.02 1 1046 99 119 ASN N N 117.932 0.1 1 1047 99 119 ASN H H 8.141 0.02 1 1048 99 119 ASN C C 174.824 0.4 1 1049 99 119 ASN CA C 53.365 0.4 1 1050 99 119 ASN HA H 4.629 0.02 1 1051 99 119 ASN CB C 38.868 0.4 1 1052 99 119 ASN HB2 H 2.706 0.02 2 1053 99 119 ASN HB3 H 2.825 0.02 2 1054 100 120 ASP N N 119.762 0.1 1 1055 100 120 ASP H H 8.139 0.02 1 1056 100 120 ASP C C 175.735 0.4 1 1057 100 120 ASP CA C 54.715 0.4 1 1058 100 120 ASP HA H 4.443 0.02 1 1059 100 120 ASP CB C 40.979 0.4 1 1060 100 120 ASP HB2 H 2.601 0.02 1 1061 100 120 ASP HB3 H 2.601 0.02 1 1062 101 121 MET N N 118.217 0.1 1 1063 101 121 MET H H 7.837 0.02 1 1064 101 121 MET C C 175.514 0.4 1 1065 101 121 MET CA C 54.872 0.4 1 1066 101 121 MET HA H 4.384 0.02 1 1067 101 121 MET CB C 32.661 0.4 1 1068 101 121 MET HB2 H 1.798 0.02 2 1069 101 121 MET HB3 H 1.912 0.02 2 1070 101 121 MET CG C 32.057 0.4 1 1071 101 121 MET HG2 H 2.269 0.02 2 1072 101 121 MET HG3 H 2.361 0.02 2 1073 102 122 CYS N N 119.096 0.1 1 1074 102 122 CYS H H 7.777 0.02 1 1075 102 122 CYS CA C 55.246 0.4 1 1076 102 122 CYS HA H 4.669 0.02 1 1077 102 122 CYS CB C 43.289 0.4 1 1078 102 122 CYS HB2 H 3.167 0.02 2 1079 102 122 CYS HB3 H 3.421 0.02 2 1080 103 123 HIS C C 175.284 0.4 1 1081 103 123 HIS CA C 55.386 0.4 1 1082 103 123 HIS HA H 4.936 0.02 1 1083 103 123 HIS CB C 29.763 0.4 1 1084 103 123 HIS HB2 H 3.135 0.02 1 1085 103 123 HIS HB3 H 3.135 0.02 1 1086 104 124 SER N N 122.931 0.1 1 1087 104 124 SER H H 9.105 0.02 1 1088 104 124 SER C C 173.821 0.4 1 1089 104 124 SER CA C 58.082 0.4 1 1090 104 124 SER HA H 4.691 0.02 1 1091 104 124 SER CB C 64.672 0.4 1 1092 104 124 SER HB2 H 3.986 0.02 2 1093 104 124 SER HB3 H 4.187 0.02 2 1094 105 125 LEU N N 122.497 0.1 1 1095 105 125 LEU H H 8.803 0.02 1 1096 105 125 LEU C C 176.028 0.4 1 1097 105 125 LEU CA C 54.972 0.4 1 1098 105 125 LEU HA H 4.35 0.02 1 1099 105 125 LEU CB C 44.165 0.4 1 1100 105 125 LEU HB2 H 1.425 0.02 2 1101 105 125 LEU HB3 H 1.693 0.02 2 1102 105 125 LEU CG C 27.103 0.4 1 1103 105 125 LEU HG H 1.49 0.02 1 1104 105 125 LEU CD1 C 24.94 0.4 2 1105 105 125 LEU HD1 H 0.849 0.02 2 1106 105 125 LEU CD2 C 24.823 0.4 2 1107 105 125 LEU HD2 H 0.805 0.02 2 1108 106 126 GLY N N 114.054 0.1 1 1109 106 126 GLY H H 9.224 0.02 1 1110 106 126 GLY C C 170.981 0.4 1 1111 106 126 GLY CA C 44.338 0.4 1 1112 106 126 GLY HA2 H 3.368 0.02 1 1113 106 126 GLY HA3 H 4.754 0.02 1 1114 107 127 LEU N N 123.856 0.1 1 1115 107 127 LEU H H 8.38 0.02 1 1116 107 127 LEU C C 174.417 0.4 1 1117 107 127 LEU CA C 53.571 0.4 1 1118 107 127 LEU HA H 5.048 0.02 1 1119 107 127 LEU CB C 46.512 0.4 1 1120 107 127 LEU HB2 H 1.109 0.02 2 1121 107 127 LEU HB3 H 1.68 0.02 2 1122 107 127 LEU CG C 27.706 0.4 1 1123 107 127 LEU HG H 1.53 0.02 1 1124 107 127 LEU CD1 C 27.169 0.4 2 1125 107 127 LEU HD1 H 0.614 0.02 2 1126 107 127 LEU CD2 C 23.04 0.4 2 1127 107 127 LEU HD2 H 0.79 0.02 2 1128 108 128 THR N N 120.063 0.1 1 1129 108 128 THR H H 8.617 0.02 1 1130 108 128 THR C C 173.287 0.4 1 1131 108 128 THR CA C 61.955 0.4 1 1132 108 128 THR HA H 4.62 0.02 1 1133 108 128 THR CB C 70.286 0.4 1 1134 108 128 THR HB H 4.011 0.02 1 1135 108 128 THR CG2 C 21.872 0.4 1 1136 108 128 THR HG2 H 1.065 0.02 1 1137 109 129 CYS N N 127.108 0.1 1 1138 109 129 CYS H H 9.089 0.02 1 1139 109 129 CYS C C 173.359 0.4 1 1140 109 129 CYS CA C 53.383 0.4 1 1141 109 129 CYS HA H 4.929 0.02 1 1142 109 129 CYS CB C 42.627 0.4 1 1143 109 129 CYS HB2 H 2.869 0.02 2 1144 109 129 CYS HB3 H 3.387 0.02 2 1145 110 130 LEU N N 123.654 0.1 1 1146 110 130 LEU H H 8.5 0.02 1 1147 110 130 LEU C C 175.857 0.4 1 1148 110 130 LEU CA C 56.312 0.4 1 1149 110 130 LEU HA H 4.034 0.02 1 1150 110 130 LEU CB C 42.935 0.4 1 1151 110 130 LEU CG C 27.234 0.4 1 1152 110 130 LEU HG H 1.668 0.02 1 1153 110 130 LEU CD1 C 24.444 0.4 2 1154 110 130 LEU HD1 H 0.894 0.02 2 1155 110 130 LEU CD2 C 25.288 0.4 2 1156 110 130 LEU HD2 H 0.9 0.02 2 1157 110 130 LEU HB2 H 1.6 0.02 1 1158 110 130 LEU HB3 H 1.6 0.02 1 1159 111 131 GLU N N 124.916 0.1 1 1160 111 131 GLU H H 7.586 0.02 1 1161 111 131 GLU CA C 58.02 0.4 1 1162 111 131 GLU HA H 4.24 0.02 1 1163 111 131 GLU CB C 31.075 0.4 1 1164 111 131 GLU HB2 H 1.789 0.02 2 1165 111 131 GLU HB3 H 1.967 0.02 2 1166 111 131 GLU CG C 36.803 0.4 1 1167 111 131 GLU HG2 H 2.147 0.02 2 1168 111 131 GLU HG3 H 2.188 0.02 2 stop_ save_