data_7270 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N sequence-specific backbone and sidechain resonance assignments for a putative protein-protein interaction module from a family 84 glycoside hydrolase of Clostridium perfringens ; _BMRB_accession_number 7270 _BMRB_flat_file_name bmr7270.str _Entry_type new _Submission_date 2006-08-18 _Accession_date 2006-08-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chitayat Seth . . 2 Ficko-Blean Elizabeth . . 3 Adams Jarrett J. . 4 Gregg Katie . . 5 Boraston Alisdair B. . 6 Smith Steven P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 768 "13C chemical shifts" 566 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'complete entry citation' 2007-06-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of backbone and side chain resonances for a putative protein-protein interaction module from a family 84 glycoside hydrolase of Clostridium perfringens' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636812 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chitayat Seth . . 2 Ficko-Blean Elizabeth . . 3 Adams Jarrett J. . 4 Gregg Katie . . 5 Boraston Alisdair B. . 6 Smith Steven P. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7 _Page_last 9 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name x82 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'scaffold protein x82' $scaffold_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_scaffold_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common x82 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MASKLKEAAEVTGSVSLEAL EEVQVGENLEVGVGIDELVN AEAFAYDFTLNYDENAFEYV EAISDDGVFVNAKKIEDGKV RVLVSSLTGEPLPAKEVLAK VVLRAEAKAEGSNLSVTNSS VGDGEGLVHEIAGTEKTVNI IEGTS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 ALA 23 SER 24 LYS 25 LEU 26 LYS 27 GLU 28 ALA 29 ALA 30 GLU 31 VAL 32 THR 33 GLY 34 SER 35 VAL 36 SER 37 LEU 38 GLU 39 ALA 40 LEU 41 GLU 42 GLU 43 VAL 44 GLN 45 VAL 46 GLY 47 GLU 48 ASN 49 LEU 50 GLU 51 VAL 52 GLY 53 VAL 54 GLY 55 ILE 56 ASP 57 GLU 58 LEU 59 VAL 60 ASN 61 ALA 62 GLU 63 ALA 64 PHE 65 ALA 66 TYR 67 ASP 68 PHE 69 THR 70 LEU 71 ASN 72 TYR 73 ASP 74 GLU 75 ASN 76 ALA 77 PHE 78 GLU 79 TYR 80 VAL 81 GLU 82 ALA 83 ILE 84 SER 85 ASP 86 ASP 87 GLY 88 VAL 89 PHE 90 VAL 91 ASN 92 ALA 93 LYS 94 LYS 95 ILE 96 GLU 97 ASP 98 GLY 99 LYS 100 VAL 101 ARG 102 VAL 103 LEU 104 VAL 105 SER 106 SER 107 LEU 108 THR 109 GLY 110 GLU 111 PRO 112 LEU 113 PRO 114 ALA 115 LYS 116 GLU 117 VAL 118 LEU 119 ALA 120 LYS 121 VAL 122 VAL 123 LEU 124 ARG 125 ALA 126 GLU 127 ALA 128 LYS 129 ALA 130 GLU 131 GLY 132 SER 133 ASN 134 LEU 135 SER 136 VAL 137 THR 138 ASN 139 SER 140 SER 141 VAL 142 GLY 143 ASP 144 GLY 145 GLU 146 GLY 147 LEU 148 VAL 149 HIS 150 GLU 151 ILE 152 ALA 153 GLY 154 THR 155 GLU 156 LYS 157 THR 158 VAL 159 ASN 160 ILE 161 ILE 162 GLU 163 GLY 164 THR 165 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2JH2 "X-Ray Crystal Structure Of A Cohesin-Like Module From Clostridium Perfringens" 89.70 148 100.00 100.00 5.46e-96 PDB 2O4E "The Solution Structure Of A Protein-Protein Interaction Module From A Family 84 Glycoside Hydrolase Of Clostridium Perfringens" 100.00 165 100.00 100.00 2.25e-110 PDB 2OZN "The Cohesin-Dockerin Complex Of Nagj And Nagh From Clostridium Perfringens" 100.00 165 99.39 99.39 1.98e-109 PDB 2W1N "Cohesin And Fibronectin Type-Iii Double Module Construct From The Clostridium Perfringens Glycoside Hydrolase Gh84c" 86.06 238 98.59 99.30 5.07e-89 DBJ BAB80940 "hyaluronidase [Clostridium perfringens str. 13]" 86.06 1001 98.59 99.30 2.15e-82 GB ABG84519 "O-GlcNAcase nagJ [Clostridium perfringens ATCC 13124]" 86.06 1001 99.30 99.30 1.39e-82 GB EDT24402 "putative hyaluronidase [Clostridium perfringens B str. ATCC 3626]" 86.06 1001 99.30 99.30 1.39e-82 GB EDT27538 "putative hyaluronidase [Clostridium perfringens CPE str. F4969]" 86.06 1001 98.59 99.30 2.15e-82 GB EDT72983 "putative hyaluronidase [Clostridium perfringens D str. JGS1721]" 86.06 1001 97.18 98.59 3.49e-81 GB EDT78323 "putative hyaluronidase [Clostridium perfringens NCTC 8239]" 86.06 1001 97.89 97.89 1.83e-81 REF NP_562150 "hyaluronidase [Clostridium perfringens str. 13]" 86.06 1001 98.59 99.30 2.15e-82 REF WP_003456570 "putative hyaluronidase [Clostridium perfringens]" 86.06 1001 99.30 99.30 1.39e-82 REF WP_003467250 "putative hyaluronidase [Clostridium perfringens]" 86.06 1001 98.59 99.30 2.15e-82 REF WP_003471799 "putative hyaluronidase [Clostridium perfringens]" 86.06 1001 97.89 97.89 1.83e-81 REF WP_003473459 "putative hyaluronidase [Clostridium perfringens]" 86.06 1001 97.18 98.59 3.49e-81 SP Q0TR53 "RecName: Full=O-GlcNAcase NagJ; AltName: Full=Beta-N-acetylglucosaminidase; AltName: Full=Beta-N-acetylhexosaminidase; AltName:" 86.06 1001 99.30 99.30 1.39e-82 SP Q8XL08 "RecName: Full=O-GlcNAcase NagJ; AltName: Full=Beta-N-acetylglucosaminidase; AltName: Full=Beta-N-acetylhexosaminidase; AltName:" 86.06 1001 98.59 99.30 2.15e-82 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $scaffold_protein 'Clostridium Perfringens' 1502 Eubacteria 'Not applicable' Clostridium Perfringens 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 $scaffold_protein 'recombinant technology' . . . . . 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 $scaffold_protein 1 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label . save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_HC(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH' _Sample_label . save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label . save_ save_3D_aliphatic_C13-NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aliphatic C13-NOESY-HSQC' _Sample_label . save_ save_3D_N15-NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N15-NOESY-HSQC' _Sample_label . save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'scaffold protein x82' _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 13 13 GLY H H 8.35 0.02 1 2 13 13 GLY HA2 H 3.92 0.02 1 3 13 13 GLY HA3 H 3.92 0.02 1 4 13 13 GLY CA C 45.29 0.30 1 5 13 13 GLY N N 110.45 0.30 1 6 14 14 LEU H H 8.05 0.02 1 7 14 14 LEU N N 121.50 0.30 1 8 15 15 VAL H H 8.07 0.02 1 9 15 15 VAL N N 122.39 0.30 1 10 16 16 PRO HA H 4.36 0.02 1 11 16 16 PRO HB2 H 1.85 0.02 2 12 16 16 PRO HB3 H 2.23 0.02 2 13 16 16 PRO HG2 H 1.91 0.02 2 14 16 16 PRO HG3 H 2.00 0.02 2 15 16 16 PRO HD2 H 3.61 0.02 2 16 16 16 PRO HD3 H 3.81 0.02 2 17 16 16 PRO CA C 62.77 0.30 1 18 16 16 PRO CB C 32.02 0.30 1 19 16 16 PRO CG C 27.67 0.30 1 20 16 16 PRO CD C 51.24 0.30 1 21 21 21 MET H H 8.18 0.02 1 22 21 21 MET N N 121.31 0.30 1 23 22 22 ALA H H 8.29 0.02 1 24 22 22 ALA N N 124.80 0.30 1 25 23 23 SER H H 8.21 0.02 1 26 23 23 SER N N 114.83 0.30 1 27 24 24 LYS H H 8.25 0.02 1 28 24 24 LYS N N 122.98 0.30 1 29 25 25 LEU H H 8.14 0.02 1 30 25 25 LEU HA H 4.29 0.02 1 31 25 25 LEU HB2 H 1.62 0.02 1 32 25 25 LEU HB3 H 1.62 0.02 1 33 25 25 LEU HG H 1.61 0.02 1 34 25 25 LEU HD1 H 0.90 0.02 2 35 25 25 LEU HD2 H 0.90 0.02 2 36 25 25 LEU C C 177.41 0.30 1 37 25 25 LEU CA C 55.43 0.30 1 38 25 25 LEU CB C 42.35 0.30 1 39 25 25 LEU CG C 27.30 0.30 1 40 25 25 LEU CD1 C 25.08 0.30 1 41 25 25 LEU CD2 C 25.08 0.30 1 42 25 25 LEU N N 122.58 0.30 1 43 26 26 LYS H H 8.20 0.02 1 44 26 26 LYS HA H 4.26 0.02 1 45 26 26 LYS HB2 H 1.75 0.02 2 46 26 26 LYS HB3 H 1.83 0.02 2 47 26 26 LYS HG2 H 1.66 0.02 1 48 26 26 LYS HG3 H 1.66 0.02 1 49 26 26 LYS HD2 H 1.40 0.02 2 50 26 26 LYS HD3 H 1.44 0.02 2 51 26 26 LYS HE2 H 2.99 0.02 1 52 26 26 LYS HE3 H 2.99 0.02 1 53 26 26 LYS C C 176.52 0.30 1 54 26 26 LYS CA C 56.70 0.30 1 55 26 26 LYS CB C 33.06 0.30 1 56 26 26 LYS CG C 29.21 0.30 1 57 26 26 LYS CD C 24.68 0.30 1 58 26 26 LYS CE C 42.23 0.30 1 59 26 26 LYS N N 121.80 0.30 1 60 27 27 GLU H H 8.38 0.02 1 61 27 27 GLU HA H 4.24 0.02 1 62 27 27 GLU HB2 H 1.92 0.02 2 63 27 27 GLU HB3 H 2.04 0.02 2 64 27 27 GLU HG2 H 2.25 0.02 1 65 27 27 GLU HG3 H 2.25 0.02 1 66 27 27 GLU C C 176.13 0.30 1 67 27 27 GLU CA C 56.70 0.30 1 68 27 27 GLU CB C 30.37 0.30 1 69 27 27 GLU CG C 36.34 0.30 1 70 27 27 GLU N N 121.70 0.30 1 71 28 28 ALA H H 8.23 0.02 1 72 28 28 ALA HA H 4.28 0.02 1 73 28 28 ALA HB H 1.39 0.02 1 74 28 28 ALA C C 177.09 0.30 1 75 28 28 ALA CA C 52.53 0.30 1 76 28 28 ALA CB C 19.36 0.30 1 77 28 28 ALA N N 124.64 0.30 1 78 29 29 ALA H H 8.15 0.02 1 79 29 29 ALA HA H 4.32 0.02 1 80 29 29 ALA HB H 1.33 0.02 1 81 29 29 ALA C C 177.12 0.30 1 82 29 29 ALA CA C 52.04 0.30 1 83 29 29 ALA CB C 19.43 0.30 1 84 29 29 ALA N N 123.43 0.30 1 85 30 30 GLU H H 8.31 0.02 1 86 30 30 GLU HA H 4.22 0.02 1 87 30 30 GLU HB2 H 1.91 0.02 1 88 30 30 GLU HB3 H 1.91 0.02 1 89 30 30 GLU HG2 H 2.18 0.02 2 90 30 30 GLU HG3 H 2.26 0.02 2 91 30 30 GLU C C 176.31 0.30 1 92 30 30 GLU CA C 56.63 0.30 1 93 30 30 GLU CB C 30.32 0.30 1 94 30 30 GLU CG C 36.30 0.30 1 95 30 30 GLU N N 120.63 0.30 1 96 31 31 VAL H H 8.63 0.02 1 97 31 31 VAL HA H 4.43 0.02 1 98 31 31 VAL HB H 1.60 0.02 1 99 31 31 VAL HG1 H 0.41 0.02 2 100 31 31 VAL HG2 H 0.40 0.02 2 101 31 31 VAL C C 176.51 0.30 1 102 31 31 VAL CA C 62.36 0.30 1 103 31 31 VAL CB C 32.37 0.30 1 104 31 31 VAL CG1 C 20.98 0.30 1 105 31 31 VAL CG2 C 21.61 0.30 1 106 31 31 VAL N N 127.11 0.30 1 107 32 32 THR H H 7.64 0.02 1 108 32 32 THR HA H 4.87 0.02 1 109 32 32 THR HB H 4.17 0.02 1 110 32 32 THR HG2 H 1.09 0.02 1 111 32 32 THR C C 172.22 0.30 1 112 32 32 THR CA C 59.51 0.30 1 113 32 32 THR CB C 71.63 0.30 1 114 32 32 THR CG2 C 21.26 0.30 1 115 32 32 THR N N 118.86 0.30 1 116 33 33 GLY H H 8.35 0.02 1 117 33 33 GLY HA2 H 4.16 0.02 2 118 33 33 GLY HA3 H 4.25 0.02 2 119 33 33 GLY C C 172.82 0.30 1 120 33 33 GLY CA C 46.68 0.30 1 121 33 33 GLY N N 106.72 0.30 1 122 34 34 SER H H 8.81 0.02 1 123 34 34 SER HA H 5.39 0.02 1 124 34 34 SER HB2 H 3.88 0.02 2 125 34 34 SER HB3 H 3.94 0.02 2 126 34 34 SER C C 173.78 0.30 1 127 34 34 SER CA C 57.38 0.30 1 128 34 34 SER CB C 65.73 0.30 1 129 34 34 SER N N 112.69 0.30 1 130 35 35 VAL H H 8.47 0.02 1 131 35 35 VAL HA H 4.12 0.02 1 132 35 35 VAL HB H 1.94 0.02 1 133 35 35 VAL HG1 H 1.14 0.02 2 134 35 35 VAL HG2 H 0.92 0.02 2 135 35 35 VAL C C 174.75 0.30 1 136 35 35 VAL CA C 62.31 0.30 1 137 35 35 VAL CB C 34.55 0.30 1 138 35 35 VAL CG1 C 21.77 0.30 1 139 35 35 VAL CG2 C 22.19 0.30 1 140 35 35 VAL N N 123.15 0.30 1 141 36 36 SER H H 8.24 0.02 1 142 36 36 SER HA H 4.69 0.02 1 143 36 36 SER HB2 H 3.19 0.02 2 144 36 36 SER HB3 H 3.65 0.02 2 145 36 36 SER C C 171.86 0.30 1 146 36 36 SER CA C 56.02 0.30 1 147 36 36 SER CB C 66.05 0.30 1 148 36 36 SER N N 118.76 0.30 1 149 37 37 LEU H H 8.31 0.02 1 150 37 37 LEU HA H 4.87 0.02 1 151 37 37 LEU HB2 H 0.99 0.02 2 152 37 37 LEU HB3 H 1.41 0.02 2 153 37 37 LEU HG H 1.15 0.02 1 154 37 37 LEU HD1 H 0.55 0.02 1 155 37 37 LEU HD2 H 0.56 0.02 2 156 37 37 LEU C C 174.19 0.30 1 157 37 37 LEU CA C 53.87 0.30 1 158 37 37 LEU CB C 47.00 0.30 1 159 37 37 LEU CG C 27.49 0.30 1 160 37 37 LEU CD1 C 25.94 0.30 1 161 37 37 LEU CD2 C 25.94 0.30 1 162 37 37 LEU N N 124.79 0.30 1 163 38 38 GLU H H 9.27 0.02 1 164 38 38 GLU HA H 4.65 0.02 1 165 38 38 GLU HB2 H 1.71 0.02 2 166 38 38 GLU HB3 H 1.86 0.02 2 167 38 38 GLU HG2 H 2.04 0.02 1 168 38 38 GLU HG3 H 2.04 0.02 1 169 38 38 GLU C C 173.97 0.30 1 170 38 38 GLU CA C 54.41 0.30 1 171 38 38 GLU CB C 32.46 0.30 1 172 38 38 GLU CG C 35.99 0.30 1 173 38 38 GLU N N 126.55 0.30 1 174 39 39 ALA H H 8.12 0.02 1 175 39 39 ALA HA H 4.60 0.02 1 176 39 39 ALA HB H 1.21 0.02 1 177 39 39 ALA C C 175.93 0.30 1 178 39 39 ALA CA C 51.57 0.30 1 179 39 39 ALA CB C 21.78 0.30 1 180 39 39 ALA N N 124.41 0.30 1 181 40 40 LEU H H 7.86 0.02 1 182 40 40 LEU HA H 4.23 0.02 1 183 40 40 LEU HB2 H 1.53 0.02 2 184 40 40 LEU HB3 H 1.68 0.02 2 185 40 40 LEU HG H 1.06 0.02 1 186 40 40 LEU HD1 H 0.99 0.02 2 187 40 40 LEU HD2 H 0.99 0.02 2 188 40 40 LEU C C 175.94 0.30 1 189 40 40 LEU CA C 55.36 0.30 1 190 40 40 LEU CB C 42.99 0.30 1 191 40 40 LEU CG C 25.94 0.30 1 192 40 40 LEU CD1 C 22.85 0.30 1 193 40 40 LEU CD2 C 22.85 0.30 1 194 40 40 LEU N N 120.64 0.30 1 195 41 41 GLU H H 8.21 0.02 1 196 41 41 GLU HA H 4.24 0.02 1 197 41 41 GLU HB2 H 2.02 0.02 2 198 41 41 GLU HB3 H 2.22 0.02 2 199 41 41 GLU HG2 H 2.45 0.02 1 200 41 41 GLU HG3 H 2.45 0.02 1 201 41 41 GLU C C 176.92 0.30 1 202 41 41 GLU CA C 58.09 0.30 1 203 41 41 GLU CB C 30.53 0.30 1 204 41 41 GLU CG C 37.15 0.30 1 205 41 41 GLU N N 114.68 0.30 1 206 42 42 GLU H H 7.49 0.02 1 207 42 42 GLU HA H 5.68 0.02 1 208 42 42 GLU HB2 H 1.95 0.02 1 209 42 42 GLU HB3 H 1.95 0.02 1 210 42 42 GLU HG2 H 2.12 0.02 1 211 42 42 GLU HG3 H 2.12 0.02 1 212 42 42 GLU C C 173.79 0.30 1 213 42 42 GLU CA C 54.36 0.30 1 214 42 42 GLU CB C 33.85 0.30 1 215 42 42 GLU CG C 37.15 0.30 1 216 42 42 GLU N N 116.67 0.30 1 217 43 43 VAL H H 8.55 0.02 1 218 43 43 VAL HA H 4.55 0.02 1 219 43 43 VAL HB H 2.06 0.02 1 220 43 43 VAL HG1 H 0.95 0.02 2 221 43 43 VAL HG2 H 0.98 0.02 2 222 43 43 VAL C C 172.22 0.30 1 223 43 43 VAL CA C 59.47 0.30 1 224 43 43 VAL CB C 35.47 0.30 1 225 43 43 VAL CG1 C 21.61 0.30 1 226 43 43 VAL CG2 C 21.30 0.30 1 227 43 43 VAL N N 120.03 0.30 1 228 44 44 GLN H H 8.47 0.02 1 229 44 44 GLN HA H 4.89 0.02 1 230 44 44 GLN HB2 H 1.77 0.02 2 231 44 44 GLN HB3 H 1.92 0.02 2 232 44 44 GLN HG2 H 2.30 0.02 1 233 44 44 GLN HG3 H 2.30 0.02 1 234 44 44 GLN HE21 H 6.80 0.02 2 235 44 44 GLN HE22 H 7.51 0.02 2 236 44 44 GLN C C 176.13 0.30 1 237 44 44 GLN CA C 54.36 0.30 1 238 44 44 GLN CB C 30.61 0.30 1 239 44 44 GLN CG C 34.33 0.30 1 240 44 44 GLN N N 124.69 0.30 1 241 44 44 GLN NE2 N 111.56 0.30 1 242 45 45 VAL H H 8.13 0.02 1 243 45 45 VAL HA H 3.03 0.02 1 244 45 45 VAL HB H 1.78 0.02 1 245 45 45 VAL HG1 H 0.72 0.02 2 246 45 45 VAL HG2 H 0.67 0.02 2 247 45 45 VAL C C 176.71 0.30 1 248 45 45 VAL CA C 65.81 0.30 1 249 45 45 VAL CB C 31.96 0.30 1 250 45 45 VAL CG1 C 21.92 0.30 1 251 45 45 VAL CG2 C 23.16 0.30 1 252 45 45 VAL N N 120.45 0.30 1 253 46 46 GLY H H 8.95 0.02 1 254 46 46 GLY HA2 H 3.59 0.02 2 255 46 46 GLY HA3 H 4.41 0.02 2 256 46 46 GLY C C 174.39 0.30 1 257 46 46 GLY CA C 44.73 0.30 1 258 46 46 GLY N N 116.49 0.30 1 259 47 47 GLU H H 8.26 0.02 1 260 47 47 GLU HA H 4.46 0.02 1 261 47 47 GLU HB2 H 2.12 0.02 2 262 47 47 GLU HB3 H 2.27 0.02 2 263 47 47 GLU HG2 H 2.14 0.02 2 264 47 47 GLU HG3 H 2.33 0.02 2 265 47 47 GLU C C 174.78 0.30 1 266 47 47 GLU CA C 54.83 0.30 1 267 47 47 GLU CB C 31.14 0.30 1 268 47 47 GLU CG C 37.15 0.30 1 269 47 47 GLU N N 120.52 0.30 1 270 48 48 ASN H H 8.44 0.02 1 271 48 48 ASN HA H 5.38 0.02 1 272 48 48 ASN HB2 H 2.26 0.02 2 273 48 48 ASN HB3 H 2.69 0.02 2 274 48 48 ASN HD21 H 6.47 0.02 2 275 48 48 ASN HD22 H 7.26 0.02 2 276 48 48 ASN C C 174.77 0.30 1 277 48 48 ASN CA C 51.57 0.30 1 278 48 48 ASN CB C 39.01 0.30 1 279 48 48 ASN N N 117.18 0.30 1 280 48 48 ASN ND2 N 108.47 0.30 1 281 49 49 LEU H H 9.81 0.02 1 282 49 49 LEU HA H 4.51 0.02 1 283 49 49 LEU HB2 H 1.22 0.02 2 284 49 49 LEU HB3 H 1.90 0.02 2 285 49 49 LEU HG H 1.53 0.02 1 286 49 49 LEU HD1 H 0.97 0.02 2 287 49 49 LEU HD2 H 0.65 0.02 2 288 49 49 LEU C C 174.56 0.30 1 289 49 49 LEU CA C 53.46 0.30 1 290 49 49 LEU CB C 45.52 0.30 1 291 49 49 LEU CD1 C 24.39 0.30 1 292 49 49 LEU CD2 C 28.43 0.30 1 293 49 49 LEU N N 125.62 0.30 1 294 50 50 GLU H H 8.75 0.02 1 295 50 50 GLU HA H 4.36 0.02 1 296 50 50 GLU HB2 H 1.89 0.02 2 297 50 50 GLU HB3 H 2.05 0.02 2 298 50 50 GLU HG2 H 2.26 0.02 1 299 50 50 GLU HG3 H 2.26 0.02 1 300 50 50 GLU C C 175.34 0.30 1 301 50 50 GLU CA C 55.55 0.30 1 302 50 50 GLU CB C 29.89 0.30 1 303 50 50 GLU CG C 36.89 0.30 1 304 50 50 GLU N N 125.42 0.30 1 305 51 51 VAL H H 9.23 0.02 1 306 51 51 VAL HA H 4.19 0.02 1 307 51 51 VAL HB H 2.23 0.02 1 308 51 51 VAL HG1 H 0.64 0.02 2 309 51 51 VAL HG2 H 0.66 0.02 2 310 51 51 VAL C C 175.31 0.30 1 311 51 51 VAL CA C 62.52 0.30 1 312 51 51 VAL CB C 31.47 0.30 1 313 51 51 VAL CG1 C 22.23 0.30 1 314 51 51 VAL CG2 C 22.85 0.30 1 315 51 51 VAL N N 129.81 0.30 1 316 52 52 GLY H H 9.41 0.02 1 317 52 52 GLY HA2 H 3.46 0.02 2 318 52 52 GLY HA3 H 4.68 0.02 2 319 52 52 GLY C C 173.00 0.30 1 320 52 52 GLY CA C 46.47 0.30 1 321 52 52 GLY N N 116.60 0.30 1 322 53 53 VAL H H 9.13 0.02 1 323 53 53 VAL HA H 4.84 0.02 1 324 53 53 VAL HB H 1.46 0.02 1 325 53 53 VAL HG1 H 0.60 0.02 2 326 53 53 VAL HG2 H 0.04 0.02 2 327 53 53 VAL C C 175.47 0.30 1 328 53 53 VAL CA C 61.35 0.30 1 329 53 53 VAL CB C 34.30 0.30 1 330 53 53 VAL CG1 C 20.67 0.30 1 331 53 53 VAL CG2 C 21.30 0.30 1 332 53 53 VAL N N 129.05 0.30 1 333 54 54 GLY H H 8.42 0.02 1 334 54 54 GLY HA2 H 3.85 0.02 1 335 54 54 GLY HA3 H 3.85 0.02 1 336 54 54 GLY C C 173.31 0.30 1 337 54 54 GLY CA C 45.18 0.30 1 338 54 54 GLY N N 116.89 0.30 1 339 55 55 ILE H H 10.19 0.02 1 340 55 55 ILE HA H 4.01 0.02 1 341 55 55 ILE HB H 1.37 0.02 1 342 55 55 ILE HG12 H -0.22 0.02 1 343 55 55 ILE HG13 H 0.72 0.02 1 344 55 55 ILE HG2 H 0.52 0.02 1 345 55 55 ILE HD1 H 0.07 0.02 1 346 55 55 ILE C C 174.38 0.30 1 347 55 55 ILE CA C 61.35 0.30 1 348 55 55 ILE CB C 40.84 0.30 1 349 55 55 ILE CG1 C 27.25 0.30 1 350 55 55 ILE CG2 C 17.88 0.30 1 351 55 55 ILE CD1 C 13.31 0.30 1 352 55 55 ILE N N 129.33 0.30 1 353 56 56 ASP H H 8.81 0.02 1 354 56 56 ASP HA H 4.44 0.02 1 355 56 56 ASP HB2 H 2.14 0.02 2 356 56 56 ASP HB3 H 2.47 0.02 2 357 56 56 ASP C C 175.53 0.30 1 358 56 56 ASP CA C 56.46 0.30 1 359 56 56 ASP CB C 42.72 0.30 1 360 56 56 ASP N N 128.31 0.30 1 361 57 57 GLU H H 7.27 0.02 1 362 57 57 GLU HA H 4.29 0.02 1 363 57 57 GLU HB2 H 1.82 0.02 1 364 57 57 GLU HB3 H 1.82 0.02 1 365 57 57 GLU HG2 H 2.01 0.02 2 366 57 57 GLU HG3 H 2.06 0.02 2 367 57 57 GLU C C 173.37 0.30 1 368 57 57 GLU CA C 54.84 0.30 1 369 57 57 GLU CB C 33.19 0.30 1 370 57 57 GLU CG C 36.81 0.30 1 371 57 57 GLU N N 112.81 0.30 1 372 58 58 LEU H H 8.37 0.02 1 373 58 58 LEU HA H 4.83 0.02 1 374 58 58 LEU HB2 H 1.26 0.02 2 375 58 58 LEU HB3 H 1.68 0.02 2 376 58 58 LEU HD1 H 0.64 0.02 2 377 58 58 LEU HD2 H 0.64 0.02 2 378 58 58 LEU C C 174.18 0.30 1 379 58 58 LEU CA C 55.32 0.30 1 380 58 58 LEU CB C 44.30 0.30 1 381 58 58 LEU CD1 C 28.11 0.30 1 382 58 58 LEU CD2 C 28.11 0.30 1 383 58 58 LEU N N 123.13 0.30 1 384 59 59 VAL H H 9.12 0.02 1 385 59 59 VAL HA H 4.24 0.02 1 386 59 59 VAL HB H 2.01 0.02 1 387 59 59 VAL HG1 H 0.81 0.02 2 388 59 59 VAL HG2 H 0.89 0.02 2 389 59 59 VAL C C 174.96 0.30 1 390 59 59 VAL CA C 61.76 0.30 1 391 59 59 VAL CB C 33.76 0.30 1 392 59 59 VAL CG1 C 21.30 0.30 1 393 59 59 VAL CG2 C 21.61 0.30 1 394 59 59 VAL N N 127.93 0.30 1 395 60 60 ASN H H 8.77 0.02 1 396 60 60 ASN HA H 4.25 0.02 1 397 60 60 ASN HB2 H 2.87 0.02 2 398 60 60 ASN HB3 H 3.23 0.02 2 399 60 60 ASN HD21 H 7.00 0.02 2 400 60 60 ASN HD22 H 7.61 0.02 2 401 60 60 ASN C C 172.81 0.30 1 402 60 60 ASN CA C 54.83 0.30 1 403 60 60 ASN CB C 36.03 0.30 1 404 60 60 ASN N N 115.50 0.30 1 405 60 60 ASN ND2 N 114.90 0.30 1 406 61 61 ALA H H 7.33 0.02 1 407 61 61 ALA HA H 4.52 0.02 1 408 61 61 ALA HB H 1.07 0.02 1 409 61 61 ALA C C 174.58 0.30 1 410 61 61 ALA CA C 51.56 0.30 1 411 61 61 ALA CB C 22.87 0.30 1 412 61 61 ALA N N 115.64 0.30 1 413 62 62 GLU H H 7.90 0.02 1 414 62 62 GLU HA H 4.31 0.02 1 415 62 62 GLU HB2 H 1.65 0.02 2 416 62 62 GLU HB3 H 1.92 0.02 2 417 62 62 GLU HG2 H 2.10 0.02 2 418 62 62 GLU HG3 H 2.20 0.02 2 419 62 62 GLU C C 173.79 0.30 1 420 62 62 GLU CA C 55.08 0.30 1 421 62 62 GLU CB C 32.61 0.30 1 422 62 62 GLU CG C 36.58 0.30 1 423 62 62 GLU N N 117.40 0.30 1 424 63 63 ALA H H 8.91 0.02 1 425 63 63 ALA HA H 4.69 0.02 1 426 63 63 ALA HB H 1.08 0.02 1 427 63 63 ALA C C 175.72 0.30 1 428 63 63 ALA CA C 50.60 0.30 1 429 63 63 ALA CB C 20.66 0.30 1 430 63 63 ALA N N 122.48 0.30 1 431 64 64 PHE H H 9.22 0.02 1 432 64 64 PHE HA H 4.32 0.02 1 433 64 64 PHE HB2 H 2.53 0.02 2 434 64 64 PHE HB3 H 3.19 0.02 2 435 64 64 PHE HD1 H 7.02 0.02 3 436 64 64 PHE HE1 H 7.11 0.02 3 437 64 64 PHE C C 174.38 0.30 1 438 64 64 PHE CA C 59.77 0.30 1 439 64 64 PHE CB C 40.83 0.30 1 440 64 64 PHE N N 120.87 0.30 1 441 65 65 ALA H H 8.15 0.02 1 442 65 65 ALA HA H 5.28 0.02 1 443 65 65 ALA HB H 1.47 0.02 1 444 65 65 ALA C C 175.95 0.30 1 445 65 65 ALA CA C 51.12 0.30 1 446 65 65 ALA CB C 22.85 0.30 1 447 65 65 ALA N N 122.35 0.30 1 448 66 66 TYR H H 9.26 0.02 1 449 66 66 TYR HA H 5.71 0.02 1 450 66 66 TYR HB2 H 2.82 0.02 1 451 66 66 TYR HB3 H 2.82 0.02 1 452 66 66 TYR HD1 H 7.12 0.02 3 453 66 66 TYR HE1 H 6.24 0.02 3 454 66 66 TYR C C 175.69 0.30 1 455 66 66 TYR CA C 54.39 0.30 1 456 66 66 TYR CB C 41.56 0.30 1 457 66 66 TYR N N 124.35 0.30 1 458 67 67 ASP H H 9.07 0.02 1 459 67 67 ASP HA H 5.63 0.02 1 460 67 67 ASP HB2 H 2.39 0.02 2 461 67 67 ASP HB3 H 2.73 0.02 2 462 67 67 ASP C C 174.30 0.30 1 463 67 67 ASP CA C 51.59 0.30 1 464 67 67 ASP CB C 44.38 0.30 1 465 67 67 ASP N N 130.49 0.30 1 466 68 68 PHE H H 8.67 0.02 1 467 68 68 PHE HA H 4.89 0.02 1 468 68 68 PHE HB2 H 2.62 0.02 2 469 68 68 PHE HB3 H 2.76 0.02 2 470 68 68 PHE HD1 H 6.58 0.02 3 471 68 68 PHE HE1 H 6.70 0.02 3 472 68 68 PHE C C 172.22 0.30 1 473 68 68 PHE CA C 57.36 0.30 1 474 68 68 PHE CB C 40.36 0.30 1 475 68 68 PHE N N 118.20 0.30 1 476 69 69 THR H H 8.39 0.02 1 477 69 69 THR HA H 5.17 0.02 1 478 69 69 THR HB H 3.99 0.02 1 479 69 69 THR HG2 H 0.86 0.02 1 480 69 69 THR C C 172.62 0.30 1 481 69 69 THR CA C 61.37 0.30 1 482 69 69 THR CB C 64.88 0.30 1 483 69 69 THR CG2 C 21.01 0.30 1 484 69 69 THR N N 115.81 0.30 1 485 70 70 LEU H H 9.56 0.02 1 486 70 70 LEU HA H 5.27 0.02 1 487 70 70 LEU HB2 H 1.30 0.02 2 488 70 70 LEU HB3 H 2.01 0.02 2 489 70 70 LEU HG H 1.62 0.02 1 490 70 70 LEU HD1 H 0.88 0.02 2 491 70 70 LEU HD2 H 0.80 0.02 2 492 70 70 LEU C C 173.80 0.30 1 493 70 70 LEU CA C 53.46 0.30 1 494 70 70 LEU CB C 45.04 0.30 1 495 70 70 LEU CG C 27.80 0.30 1 496 70 70 LEU CD1 C 24.39 0.30 1 497 70 70 LEU CD2 C 26.56 0.30 1 498 70 70 LEU N N 129.22 0.30 1 499 71 71 ASN H H 9.59 0.02 1 500 71 71 ASN HA H 5.88 0.02 1 501 71 71 ASN HB2 H 2.44 0.02 2 502 71 71 ASN HB3 H 3.05 0.02 2 503 71 71 ASN HD21 H 6.72 0.02 2 504 71 71 ASN HD22 H 7.12 0.02 2 505 71 71 ASN C C 177.97 0.30 1 506 71 71 ASN CA C 52.06 0.30 1 507 71 71 ASN CB C 41.02 0.30 1 508 71 71 ASN N N 125.97 0.30 1 509 71 71 ASN ND2 N 117.72 0.30 1 510 72 72 TYR H H 8.74 0.02 1 511 72 72 TYR HA H 5.11 0.02 1 512 72 72 TYR HB2 H 2.48 0.02 2 513 72 72 TYR HB3 H 2.89 0.02 2 514 72 72 TYR HD1 H 6.71 0.02 3 515 72 72 TYR HE1 H 6.60 0.02 3 516 72 72 TYR C C 177.72 0.30 1 517 72 72 TYR CA C 55.31 0.30 1 518 72 72 TYR CB C 41.51 0.30 1 519 72 72 TYR N N 119.64 0.30 1 520 73 73 ASP H H 9.78 0.02 1 521 73 73 ASP HA H 4.68 0.02 1 522 73 73 ASP HB2 H 2.77 0.02 2 523 73 73 ASP HB3 H 3.03 0.02 2 524 73 73 ASP C C 177.29 0.30 1 525 73 73 ASP CA C 53.65 0.30 1 526 73 73 ASP CB C 40.90 0.30 1 527 73 73 ASP N N 119.29 0.30 1 528 74 74 GLU H H 9.43 0.02 1 529 74 74 GLU HA H 4.74 0.02 1 530 74 74 GLU HB2 H 1.88 0.02 2 531 74 74 GLU HB3 H 2.05 0.02 2 532 74 74 GLU HG2 H 2.17 0.02 2 533 74 74 GLU HG3 H 2.42 0.02 2 534 74 74 GLU C C 176.32 0.30 1 535 74 74 GLU CA C 57.41 0.30 1 536 74 74 GLU CB C 29.49 0.30 1 537 74 74 GLU CG C 35.38 0.30 1 538 74 74 GLU N N 130.93 0.30 1 539 75 75 ASN H H 8.68 0.02 1 540 75 75 ASN HA H 4.60 0.02 1 541 75 75 ASN HB2 H 2.68 0.02 2 542 75 75 ASN HB3 H 2.86 0.02 2 543 75 75 ASN HD21 H 7.00 0.02 2 544 75 75 ASN HD22 H 7.97 0.02 2 545 75 75 ASN C C 175.34 0.30 1 546 75 75 ASN CA C 54.62 0.30 1 547 75 75 ASN CB C 38.77 0.30 1 548 75 75 ASN N N 115.04 0.30 1 549 75 75 ASN ND2 N 115.67 0.30 1 550 76 76 ALA H H 7.74 0.02 1 551 76 76 ALA HA H 4.31 0.02 1 552 76 76 ALA HB H 1.15 0.02 1 553 76 76 ALA C C 175.55 0.30 1 554 76 76 ALA CA C 53.26 0.30 1 555 76 76 ALA CB C 21.45 0.30 1 556 76 76 ALA N N 122.20 0.30 1 557 77 77 PHE H H 8.07 0.02 1 558 77 77 PHE HA H 5.65 0.02 1 559 77 77 PHE HB2 H 2.63 0.02 2 560 77 77 PHE HB3 H 2.75 0.02 2 561 77 77 PHE HD1 H 7.06 0.02 3 562 77 77 PHE HE1 H 7.05 0.02 3 563 77 77 PHE C C 174.57 0.30 1 564 77 77 PHE CA C 56.36 0.30 1 565 77 77 PHE CB C 46.08 0.30 1 566 77 77 PHE N N 114.16 0.30 1 567 78 78 GLU H H 8.80 0.02 1 568 78 78 GLU HA H 4.90 0.02 1 569 78 78 GLU HB2 H 1.81 0.02 2 570 78 78 GLU HB3 H 1.96 0.02 2 571 78 78 GLU HG2 H 2.23 0.02 1 572 78 78 GLU HG3 H 2.23 0.02 1 573 78 78 GLU C C 175.95 0.30 1 574 78 78 GLU CA C 53.67 0.30 1 575 78 78 GLU CB C 33.60 0.30 1 576 78 78 GLU CG C 35.87 0.30 1 577 78 78 GLU N N 117.59 0.30 1 578 79 79 TYR H H 8.77 0.02 1 579 79 79 TYR HA H 4.25 0.02 1 580 79 79 TYR HB2 H 2.65 0.02 2 581 79 79 TYR HB3 H 3.01 0.02 2 582 79 79 TYR HD1 H 6.66 0.02 3 583 79 79 TYR HE1 H 6.47 0.02 3 584 79 79 TYR C C 174.58 0.30 1 585 79 79 TYR CA C 59.25 0.30 1 586 79 79 TYR CB C 38.31 0.30 1 587 79 79 TYR N N 126.56 0.30 1 588 80 80 VAL H H 8.22 0.02 1 589 80 80 VAL HA H 3.69 0.02 1 590 80 80 VAL HB H 1.50 0.02 1 591 80 80 VAL HG1 H 0.68 0.02 2 592 80 80 VAL HG2 H 0.71 0.02 2 593 80 80 VAL C C 174.78 0.30 1 594 80 80 VAL CA C 64.40 0.30 1 595 80 80 VAL CB C 33.51 0.30 1 596 80 80 VAL CG1 C 20.65 0.30 1 597 80 80 VAL CG2 C 21.58 0.30 1 598 80 80 VAL N N 129.46 0.30 1 599 81 81 GLU H H 6.92 0.02 1 600 81 81 GLU HA H 4.26 0.02 1 601 81 81 GLU HB2 H 1.75 0.02 2 602 81 81 GLU HB3 H 1.89 0.02 2 603 81 81 GLU HG2 H 2.10 0.02 1 604 81 81 GLU HG3 H 2.10 0.02 1 605 81 81 GLU C C 171.84 0.30 1 606 81 81 GLU CA C 55.31 0.30 1 607 81 81 GLU CB C 30.52 0.30 1 608 81 81 GLU CG C 33.80 0.30 1 609 81 81 GLU N N 112.43 0.30 1 610 82 82 ALA H H 8.31 0.02 1 611 82 82 ALA HA H 5.65 0.02 1 612 82 82 ALA HB H 1.20 0.02 1 613 82 82 ALA C C 176.11 0.30 1 614 82 82 ALA CA C 50.62 0.30 1 615 82 82 ALA CB C 21.77 0.30 1 616 82 82 ALA N N 121.24 0.30 1 617 83 83 ILE H H 9.15 0.02 1 618 83 83 ILE HA H 4.60 0.02 1 619 83 83 ILE HB H 1.76 0.02 1 620 83 83 ILE HG12 H 0.96 0.02 1 621 83 83 ILE HG13 H 1.28 0.02 1 622 83 83 ILE HG2 H 0.82 0.02 1 623 83 83 ILE HD1 H 0.69 0.02 1 624 83 83 ILE C C 174.81 0.30 1 625 83 83 ILE CA C 60.06 0.30 1 626 83 83 ILE CB C 42.44 0.30 1 627 83 83 ILE CG1 C 27.10 0.30 1 628 83 83 ILE CG2 C 17.73 0.30 1 629 83 83 ILE CD1 C 13.30 0.30 1 630 83 83 ILE N N 119.72 0.30 1 631 84 84 SER H H 8.35 0.02 1 632 84 84 SER HA H 4.66 0.02 1 633 84 84 SER HB2 H 3.75 0.02 2 634 84 84 SER HB3 H 4.07 0.02 2 635 84 84 SER C C 177.55 0.30 1 636 84 84 SER CA C 57.33 0.30 1 637 84 84 SER CB C 66.49 0.30 1 638 84 84 SER N N 116.74 0.30 1 639 85 85 ASP H H 8.74 0.02 1 640 85 85 ASP HA H 4.82 0.02 1 641 85 85 ASP HB2 H 2.63 0.02 2 642 85 85 ASP HB3 H 2.83 0.02 2 643 85 85 ASP C C 176.09 0.30 1 644 85 85 ASP CA C 53.48 0.30 1 645 85 85 ASP CB C 42.48 0.30 1 646 85 85 ASP N N 120.96 0.30 1 647 86 86 ASP H H 8.38 0.02 1 648 86 86 ASP HA H 4.45 0.02 1 649 86 86 ASP HB2 H 2.64 0.02 1 650 86 86 ASP HB3 H 2.64 0.02 1 651 86 86 ASP C C 177.10 0.30 1 652 86 86 ASP CA C 56.24 0.30 1 653 86 86 ASP CB C 41.10 0.30 1 654 86 86 ASP N N 117.71 0.30 1 655 87 87 GLY H H 8.69 0.02 1 656 87 87 GLY HA2 H 3.87 0.02 2 657 87 87 GLY HA3 H 4.09 0.02 2 658 87 87 GLY C C 173.80 0.30 1 659 87 87 GLY CA C 45.77 0.30 1 660 87 87 GLY N N 108.54 0.30 1 661 88 88 VAL H H 7.91 0.02 1 662 88 88 VAL HA H 4.78 0.02 1 663 88 88 VAL HB H 2.13 0.02 1 664 88 88 VAL HG1 H 0.95 0.02 2 665 88 88 VAL HG2 H 0.95 0.02 2 666 88 88 VAL C C 173.97 0.30 1 667 88 88 VAL CA C 60.90 0.30 1 668 88 88 VAL CB C 35.46 0.30 1 669 88 88 VAL CG1 C 21.16 0.30 1 670 88 88 VAL CG2 C 21.16 0.30 1 671 88 88 VAL N N 119.79 0.30 1 672 89 89 PHE H H 9.21 0.02 1 673 89 89 PHE HA H 4.93 0.02 1 674 89 89 PHE HB2 H 2.94 0.02 2 675 89 89 PHE HB3 H 3.09 0.02 2 676 89 89 PHE HD1 H 7.25 0.02 3 677 89 89 PHE HE1 H 7.27 0.02 3 678 89 89 PHE C C 173.97 0.30 1 679 89 89 PHE CA C 56.45 0.30 1 680 89 89 PHE CB C 41.12 0.30 1 681 89 89 PHE N N 126.78 0.30 1 682 90 90 VAL H H 7.88 0.02 1 683 90 90 VAL HA H 4.86 0.02 1 684 90 90 VAL HB H 1.69 0.02 1 685 90 90 VAL HG1 H 0.65 0.02 2 686 90 90 VAL HG2 H 0.79 0.02 2 687 90 90 VAL C C 173.19 0.30 1 688 90 90 VAL CA C 59.75 0.30 1 689 90 90 VAL CB C 34.77 0.30 1 690 90 90 VAL CG1 C 21.28 0.30 1 691 90 90 VAL CG2 C 22.99 0.30 1 692 90 90 VAL N N 124.99 0.30 1 693 91 91 ASN H H 8.67 0.02 1 694 91 91 ASN HA H 4.73 0.02 1 695 91 91 ASN HB2 H 2.52 0.02 2 696 91 91 ASN HB3 H 2.81 0.02 2 697 91 91 ASN HD21 H 6.75 0.02 2 698 91 91 ASN HD22 H 7.56 0.02 2 699 91 91 ASN C C 173.20 0.30 1 700 91 91 ASN CA C 51.97 0.30 1 701 91 91 ASN CB C 41.34 0.30 1 702 91 91 ASN N N 124.86 0.30 1 703 91 91 ASN ND2 N 110.53 0.30 1 704 92 92 ALA H H 8.84 0.02 1 705 92 92 ALA HA H 5.29 0.02 1 706 92 92 ALA HB H 1.08 0.02 1 707 92 92 ALA C C 176.33 0.30 1 708 92 92 ALA CA C 50.17 0.30 1 709 92 92 ALA CB C 23.61 0.30 1 710 92 92 ALA N N 128.51 0.30 1 711 93 93 LYS H H 8.67 0.02 1 712 93 93 LYS HA H 4.46 0.02 1 713 93 93 LYS HB2 H 1.60 0.02 2 714 93 93 LYS HB3 H 1.63 0.02 2 715 93 93 LYS HG2 H 1.19 0.02 2 716 93 93 LYS HG3 H 1.26 0.02 2 717 93 93 LYS HD2 H 1.60 0.02 1 718 93 93 LYS HD3 H 1.60 0.02 1 719 93 93 LYS HE2 H 2.92 0.02 1 720 93 93 LYS HE3 H 2.92 0.02 1 721 93 93 LYS C C 174.17 0.30 1 722 93 93 LYS CA C 55.01 0.30 1 723 93 93 LYS CB C 36.43 0.30 1 724 93 93 LYS CG C 24.25 0.30 1 725 93 93 LYS CD C 29.22 0.30 1 726 93 93 LYS CE C 42.27 0.30 1 727 93 93 LYS N N 121.30 0.30 1 728 94 94 LYS H H 8.96 0.02 1 729 94 94 LYS HA H 4.46 0.02 1 730 94 94 LYS HB2 H 1.86 0.02 1 731 94 94 LYS HB3 H 1.86 0.02 1 732 94 94 LYS HG2 H 1.39 0.02 1 733 94 94 LYS HG3 H 1.39 0.02 1 734 94 94 LYS HD2 H 1.64 0.02 1 735 94 94 LYS HD3 H 1.64 0.02 1 736 94 94 LYS HE2 H 3.04 0.02 1 737 94 94 LYS HE3 H 3.04 0.02 1 738 94 94 LYS C C 176.33 0.30 1 739 94 94 LYS CA C 56.72 0.30 1 740 94 94 LYS CB C 31.93 0.30 1 741 94 94 LYS CG C 25.33 0.30 1 742 94 94 LYS CE C 36.25 0.30 1 743 94 94 LYS N N 127.06 0.30 1 744 95 95 ILE H H 8.29 0.02 1 745 95 95 ILE HA H 4.12 0.02 1 746 95 95 ILE HB H 1.82 0.02 1 747 95 95 ILE HG12 H 0.99 0.02 1 748 95 95 ILE HG13 H 1.37 0.02 1 749 95 95 ILE HG2 H 0.90 0.02 1 750 95 95 ILE HD1 H 0.75 0.02 1 751 95 95 ILE C C 175.74 0.30 1 752 95 95 ILE CA C 62.76 0.30 1 753 95 95 ILE CB C 38.89 0.30 1 754 95 95 ILE CG1 C 26.73 0.30 1 755 95 95 ILE CG2 C 18.45 0.30 1 756 95 95 ILE CD1 C 13.07 0.30 1 757 95 95 ILE N N 126.53 0.30 1 758 96 96 GLU H H 8.03 0.02 1 759 96 96 GLU HA H 4.45 0.02 1 760 96 96 GLU HB2 H 1.87 0.02 2 761 96 96 GLU HB3 H 2.26 0.02 2 762 96 96 GLU HG2 H 2.02 0.02 2 763 96 96 GLU HG3 H 2.13 0.02 2 764 96 96 GLU C C 174.38 0.30 1 765 96 96 GLU CA C 54.32 0.30 1 766 96 96 GLU CB C 32.77 0.30 1 767 96 96 GLU CG C 35.84 0.30 1 768 96 96 GLU N N 117.08 0.30 1 769 97 97 ASP H H 8.73 0.02 1 770 97 97 ASP HA H 4.36 0.02 1 771 97 97 ASP HB2 H 2.50 0.02 2 772 97 97 ASP HB3 H 2.58 0.02 2 773 97 97 ASP C C 177.10 0.30 1 774 97 97 ASP CA C 57.16 0.30 1 775 97 97 ASP CB C 39.92 0.30 1 776 97 97 ASP N N 120.57 0.30 1 777 98 98 GLY H H 8.76 0.02 1 778 98 98 GLY HA2 H 2.12 0.02 2 779 98 98 GLY HA3 H 3.91 0.02 2 780 98 98 GLY C C 174.00 0.30 1 781 98 98 GLY CA C 45.72 0.30 1 782 98 98 GLY N N 112.09 0.30 1 783 99 99 LYS H H 7.89 0.02 1 784 99 99 LYS HA H 5.33 0.02 1 785 99 99 LYS HB2 H 1.28 0.02 2 786 99 99 LYS HB3 H 1.48 0.02 2 787 99 99 LYS HG2 H 1.23 0.02 2 788 99 99 LYS HG3 H 1.33 0.02 2 789 99 99 LYS HD2 H 1.34 0.02 2 790 99 99 LYS HD3 H 1.50 0.02 2 791 99 99 LYS HE2 H 2.89 0.02 1 792 99 99 LYS HE3 H 2.89 0.02 1 793 99 99 LYS C C 174.75 0.30 1 794 99 99 LYS CA C 55.99 0.30 1 795 99 99 LYS CB C 37.84 0.30 1 796 99 99 LYS CG C 25.11 0.30 1 797 99 99 LYS CD C 29.82 0.30 1 798 99 99 LYS CE C 42.00 0.30 1 799 99 99 LYS N N 118.05 0.30 1 800 100 100 VAL H H 8.98 0.02 1 801 100 100 VAL HA H 4.51 0.02 1 802 100 100 VAL HB H 1.61 0.02 1 803 100 100 VAL HG1 H 0.37 0.02 2 804 100 100 VAL HG2 H 0.39 0.02 2 805 100 100 VAL C C 174.76 0.30 1 806 100 100 VAL CA C 60.13 0.30 1 807 100 100 VAL CB C 35.24 0.30 1 808 100 100 VAL CG1 C 20.98 0.30 1 809 100 100 VAL CG2 C 21.30 0.30 1 810 100 100 VAL N N 123.85 0.30 1 811 101 101 ARG H H 8.81 0.02 1 812 101 101 ARG HA H 4.85 0.02 1 813 101 101 ARG HB2 H 1.74 0.02 1 814 101 101 ARG HB3 H 1.74 0.02 1 815 101 101 ARG HG2 H 1.39 0.02 1 816 101 101 ARG HG3 H 1.39 0.02 1 817 101 101 ARG HD2 H 2.85 0.02 2 818 101 101 ARG HD3 H 2.98 0.02 2 819 101 101 ARG C C 174.77 0.30 1 820 101 101 ARG CA C 54.58 0.30 1 821 101 101 ARG CB C 32.40 0.30 1 822 101 101 ARG CG C 26.47 0.30 1 823 101 101 ARG CD C 43.98 0.30 1 824 101 101 ARG N N 129.21 0.30 1 825 102 102 VAL H H 9.10 0.02 1 826 102 102 VAL HA H 4.12 0.02 1 827 102 102 VAL HB H 0.03 0.02 1 828 102 102 VAL HG1 H 0.29 0.02 2 829 102 102 VAL HG2 H 0.27 0.02 2 830 102 102 VAL C C 171.64 0.30 1 831 102 102 VAL CA C 61.35 0.30 1 832 102 102 VAL CB C 32.53 0.30 1 833 102 102 VAL CG1 C 22.87 0.30 1 834 102 102 VAL CG2 C 23.16 0.30 1 835 102 102 VAL N N 130.47 0.30 1 836 103 103 LEU H H 8.11 0.02 1 837 103 103 LEU HA H 5.12 0.02 1 838 103 103 LEU HB2 H 1.60 0.02 1 839 103 103 LEU HB3 H 1.60 0.02 1 840 103 103 LEU HG H 1.53 0.02 1 841 103 103 LEU HD1 H 0.79 0.02 2 842 103 103 LEU HD2 H 0.80 0.02 2 843 103 103 LEU C C 176.41 0.30 1 844 103 103 LEU CA C 53.38 0.30 1 845 103 103 LEU CB C 43.68 0.30 1 846 103 103 LEU CG C 27.49 0.30 1 847 103 103 LEU CD1 C 24.39 0.30 1 848 103 103 LEU CD2 C 24.39 0.30 1 849 103 103 LEU N N 125.56 0.30 1 850 104 104 VAL H H 9.58 0.02 1 851 104 104 VAL HA H 5.26 0.02 1 852 104 104 VAL HB H 2.41 0.02 1 853 104 104 VAL HG1 H 0.94 0.02 2 854 104 104 VAL HG2 H 1.06 0.02 2 855 104 104 VAL C C 176.03 0.30 1 856 104 104 VAL CA C 60.22 0.30 1 857 104 104 VAL CB C 34.31 0.30 1 858 104 104 VAL CG1 C 22.70 0.30 1 859 104 104 VAL CG2 C 23.16 0.30 1 860 104 104 VAL N N 125.79 0.30 1 861 105 105 SER H H 9.34 0.02 1 862 105 105 SER HA H 5.30 0.02 1 863 105 105 SER HB2 H 4.01 0.02 1 864 105 105 SER HB3 H 4.01 0.02 1 865 105 105 SER C C 173.60 0.30 1 866 105 105 SER CA C 57.45 0.30 1 867 105 105 SER CB C 65.60 0.30 1 868 105 105 SER N N 119.22 0.30 1 869 106 106 SER H H 8.35 0.02 1 870 106 106 SER HA H 4.72 0.02 1 871 106 106 SER HB2 H 3.99 0.02 2 872 106 106 SER HB3 H 4.11 0.02 2 873 106 106 SER C C 176.93 0.30 1 874 106 106 SER CA C 58.17 0.30 1 875 106 106 SER CB C 64.17 0.30 1 876 106 106 SER N N 114.80 0.30 1 877 107 107 LEU H H 8.77 0.02 1 878 107 107 LEU HA H 4.71 0.02 1 879 107 107 LEU HB2 H 1.52 0.02 2 880 107 107 LEU HB3 H 1.76 0.02 2 881 107 107 LEU HD1 H 0.86 0.02 2 882 107 107 LEU HD2 H 0.88 0.02 2 883 107 107 LEU C C 178.28 0.30 1 884 107 107 LEU CA C 55.28 0.30 1 885 107 107 LEU CB C 43.41 0.30 1 886 107 107 LEU CG C 26.95 0.30 1 887 107 107 LEU CD1 C 23.16 0.30 1 888 107 107 LEU CD2 C 25.92 0.30 1 889 107 107 LEU N N 127.21 0.30 1 890 108 108 THR H H 8.21 0.02 1 891 108 108 THR HA H 4.40 0.02 1 892 108 108 THR HB H 4.53 0.02 1 893 108 108 THR HG1 H 5.98 0.02 1 894 108 108 THR HG2 H 1.34 0.02 1 895 108 108 THR C C 176.13 0.30 1 896 108 108 THR CA C 62.05 0.30 1 897 108 108 THR CB C 70.91 0.30 1 898 108 108 THR CG2 C 21.64 0.30 1 899 108 108 THR N N 108.81 0.30 1 900 109 109 GLY H H 8.25 0.02 1 901 109 109 GLY HA2 H 3.78 0.02 2 902 109 109 GLY HA3 H 4.29 0.02 2 903 109 109 GLY C C 173.18 0.30 1 904 109 109 GLY CA C 45.34 0.30 1 905 109 109 GLY N N 110.16 0.30 1 906 110 110 GLU H H 7.96 0.02 1 907 110 110 GLU HA H 4.76 0.02 1 908 110 110 GLU HB2 H 1.69 0.02 1 909 110 110 GLU HB3 H 1.69 0.02 1 910 110 110 GLU HG2 H 2.16 0.02 2 911 110 110 GLU HG3 H 2.24 0.02 2 912 110 110 GLU CA C 53.45 0.30 1 913 110 110 GLU CB C 30.02 0.30 1 914 110 110 GLU CG C 35.88 0.30 1 915 110 110 GLU N N 119.72 0.30 1 916 111 111 PRO HA H 3.25 0.02 1 917 111 111 PRO HB2 H 1.31 0.02 2 918 111 111 PRO HB3 H 1.49 0.02 2 919 111 111 PRO HG2 H 1.58 0.02 2 920 111 111 PRO HG3 H 1.77 0.02 2 921 111 111 PRO HD2 H 3.55 0.02 2 922 111 111 PRO HD3 H 3.62 0.02 2 923 111 111 PRO C C 176.71 0.30 1 924 111 111 PRO CA C 62.24 0.30 1 925 111 111 PRO CB C 31.99 0.30 1 926 111 111 PRO CG C 27.02 0.30 1 927 111 111 PRO CD C 50.15 0.30 1 928 112 112 LEU H H 8.84 0.02 1 929 112 112 LEU HA H 4.29 0.02 1 930 112 112 LEU HB2 H 1.45 0.02 1 931 112 112 LEU HB3 H 1.45 0.02 1 932 112 112 LEU HG H 1.57 0.02 1 933 112 112 LEU HD1 H 0.61 0.02 2 934 112 112 LEU HD2 H 0.92 0.02 2 935 112 112 LEU CA C 52.22 0.30 1 936 112 112 LEU CB C 41.09 0.30 1 937 112 112 LEU CD1 C 20.36 0.30 1 938 112 112 LEU CD2 C 22.54 0.30 1 939 112 112 LEU N N 122.42 0.30 1 940 113 113 PRO HA H 4.38 0.02 1 941 113 113 PRO HB2 H 1.79 0.02 2 942 113 113 PRO HB3 H 2.07 0.02 2 943 113 113 PRO HG2 H 1.82 0.02 2 944 113 113 PRO HG3 H 1.90 0.02 2 945 113 113 PRO HD2 H 3.41 0.02 2 946 113 113 PRO HD3 H 3.69 0.02 2 947 113 113 PRO C C 176.10 0.30 1 948 113 113 PRO CA C 61.93 0.30 1 949 113 113 PRO CB C 32.47 0.30 1 950 113 113 PRO CG C 27.20 0.30 1 951 113 113 PRO CD C 50.18 0.30 1 952 114 114 ALA H H 8.07 0.02 1 953 114 114 ALA HA H 4.55 0.02 1 954 114 114 ALA HB H 1.26 0.02 1 955 114 114 ALA C C 177.49 0.30 1 956 114 114 ALA CA C 51.34 0.30 1 957 114 114 ALA CB C 19.94 0.30 1 958 114 114 ALA N N 121.46 0.30 1 959 115 115 LYS H H 9.00 0.02 1 960 115 115 LYS HA H 3.93 0.02 1 961 115 115 LYS HB2 H 1.92 0.02 2 962 115 115 LYS HB3 H 2.08 0.02 2 963 115 115 LYS HG2 H 1.39 0.02 2 964 115 115 LYS HG3 H 1.44 0.02 2 965 115 115 LYS HD2 H 1.62 0.02 2 966 115 115 LYS HD3 H 1.79 0.02 2 967 115 115 LYS HE2 H 3.03 0.02 1 968 115 115 LYS HE3 H 3.03 0.02 1 969 115 115 LYS C C 175.74 0.30 1 970 115 115 LYS CA C 57.58 0.30 1 971 115 115 LYS CB C 29.51 0.30 1 972 115 115 LYS CG C 25.61 0.30 1 973 115 115 LYS CD C 29.05 0.30 1 974 115 115 LYS CE C 42.55 0.30 1 975 115 115 LYS N N 112.56 0.30 1 976 116 116 GLU H H 7.62 0.02 1 977 116 116 GLU HA H 4.55 0.02 1 978 116 116 GLU HB2 H 1.45 0.02 2 979 116 116 GLU HB3 H 1.86 0.02 2 980 116 116 GLU HG2 H 2.05 0.02 1 981 116 116 GLU HG3 H 2.05 0.02 1 982 116 116 GLU C C 176.11 0.30 1 983 116 116 GLU CA C 54.57 0.30 1 984 116 116 GLU CB C 33.68 0.30 1 985 116 116 GLU CG C 35.41 0.30 1 986 116 116 GLU N N 115.71 0.30 1 987 117 117 VAL H H 8.77 0.02 1 988 117 117 VAL HA H 3.20 0.02 1 989 117 117 VAL HB H 1.85 0.02 1 990 117 117 VAL HG1 H 0.70 0.02 2 991 117 117 VAL HG2 H 0.80 0.02 2 992 117 117 VAL C C 175.74 0.30 1 993 117 117 VAL CA C 65.34 0.30 1 994 117 117 VAL CB C 31.29 0.30 1 995 117 117 VAL CG1 C 22.54 0.30 1 996 117 117 VAL CG2 C 22.54 0.30 1 997 117 117 VAL N N 124.45 0.30 1 998 118 118 LEU H H 8.55 0.02 1 999 118 118 LEU HA H 4.54 0.02 1 1000 118 118 LEU HB2 H 1.54 0.02 2 1001 118 118 LEU HB3 H 2.00 0.02 2 1002 118 118 LEU HG H 1.00 0.02 1 1003 118 118 LEU HD1 H 0.80 0.02 2 1004 118 118 LEU HD2 H 0.92 0.02 2 1005 118 118 LEU C C 176.21 0.30 1 1006 118 118 LEU CA C 55.51 0.30 1 1007 118 118 LEU CB C 44.60 0.30 1 1008 118 118 LEU CG C 27.49 0.30 1 1009 118 118 LEU CD1 C 22.85 0.30 1 1010 118 118 LEU CD2 C 22.54 0.30 1 1011 118 118 LEU N N 128.44 0.30 1 1012 119 119 ALA H H 7.97 0.02 1 1013 119 119 ALA HA H 4.74 0.02 1 1014 119 119 ALA HB H 1.24 0.02 1 1015 119 119 ALA C C 174.57 0.30 1 1016 119 119 ALA CA C 50.77 0.30 1 1017 119 119 ALA CB C 22.45 0.30 1 1018 119 119 ALA N N 118.10 0.30 1 1019 120 120 LYS H H 8.76 0.02 1 1020 120 120 LYS HA H 5.24 0.02 1 1021 120 120 LYS HB2 H 1.20 0.02 2 1022 120 120 LYS HB3 H 1.55 0.02 2 1023 120 120 LYS HG2 H 1.08 0.02 2 1024 120 120 LYS HG3 H 1.19 0.02 2 1025 120 120 LYS HD2 H 1.37 0.02 2 1026 120 120 LYS HD3 H 1.49 0.02 2 1027 120 120 LYS HE2 H 2.73 0.02 1 1028 120 120 LYS HE3 H 2.73 0.02 1 1029 120 120 LYS C C 175.34 0.30 1 1030 120 120 LYS CA C 54.22 0.30 1 1031 120 120 LYS CB C 34.34 0.30 1 1032 120 120 LYS CG C 25.32 0.30 1 1033 120 120 LYS CD C 29.87 0.30 1 1034 120 120 LYS CE C 41.84 0.30 1 1035 120 120 LYS N N 120.01 0.30 1 1036 121 121 VAL H H 9.41 0.02 1 1037 121 121 VAL HA H 4.23 0.02 1 1038 121 121 VAL HB H 1.91 0.02 1 1039 121 121 VAL HG1 H 0.90 0.02 2 1040 121 121 VAL HG2 H 0.84 0.02 2 1041 121 121 VAL C C 173.98 0.30 1 1042 121 121 VAL CA C 62.37 0.30 1 1043 121 121 VAL CB C 32.41 0.30 1 1044 121 121 VAL CG1 C 21.93 0.30 1 1045 121 121 VAL CG2 C 22.22 0.30 1 1046 121 121 VAL N N 124.96 0.30 1 1047 122 122 VAL H H 9.28 0.02 1 1048 122 122 VAL HA H 4.36 0.02 1 1049 122 122 VAL HB H 2.26 0.02 1 1050 122 122 VAL HG1 H 0.70 0.02 2 1051 122 122 VAL HG2 H 0.79 0.02 2 1052 122 122 VAL C C 174.19 0.30 1 1053 122 122 VAL CA C 62.76 0.30 1 1054 122 122 VAL CB C 32.02 0.30 1 1055 122 122 VAL CG1 C 21.00 0.30 1 1056 122 122 VAL CG2 C 21.00 0.30 1 1057 122 122 VAL N N 128.99 0.30 1 1058 123 123 LEU H H 8.61 0.02 1 1059 123 123 LEU HA H 4.90 0.02 1 1060 123 123 LEU HB2 H 0.77 0.02 2 1061 123 123 LEU HB3 H 1.24 0.02 2 1062 123 123 LEU HG H 1.19 0.02 1 1063 123 123 LEU HD1 H -0.00 0.02 2 1064 123 123 LEU HD2 H -0.29 0.02 2 1065 123 123 LEU C C 174.95 0.30 1 1066 123 123 LEU CA C 52.05 0.30 1 1067 123 123 LEU CB C 45.21 0.30 1 1068 123 123 LEU CG C 26.17 0.30 1 1069 123 123 LEU CD1 C 22.54 0.30 1 1070 123 123 LEU CD2 C 25.88 0.30 1 1071 123 123 LEU N N 127.20 0.30 1 1072 124 124 ARG H H 9.54 0.02 1 1073 124 124 ARG HA H 4.90 0.02 1 1074 124 124 ARG HB2 H 1.52 0.02 2 1075 124 124 ARG HB3 H 1.66 0.02 2 1076 124 124 ARG HG2 H 1.27 0.02 1 1077 124 124 ARG HG3 H 1.27 0.02 1 1078 124 124 ARG HD2 H 3.12 0.02 1 1079 124 124 ARG HD3 H 3.12 0.02 1 1080 124 124 ARG HE H 7.36 0.02 1 1081 124 124 ARG C C 176.32 0.30 1 1082 124 124 ARG CA C 55.32 0.30 1 1083 124 124 ARG CB C 31.75 0.30 1 1084 124 124 ARG CG C 27.83 0.30 1 1085 124 124 ARG CD C 41.48 0.30 1 1086 124 124 ARG N N 124.29 0.30 1 1087 124 124 ARG NE N 117.72 0.30 1 1088 125 125 ALA H H 8.88 0.02 1 1089 125 125 ALA HA H 4.38 0.02 1 1090 125 125 ALA HB H 1.40 0.02 1 1091 125 125 ALA C C 177.29 0.30 1 1092 125 125 ALA CA C 52.53 0.30 1 1093 125 125 ALA CB C 19.87 0.30 1 1094 125 125 ALA N N 130.79 0.30 1 1095 126 126 GLU H H 9.26 0.02 1 1096 126 126 GLU HA H 4.46 0.02 1 1097 126 126 GLU HB2 H 1.56 0.02 2 1098 126 126 GLU HB3 H 1.89 0.02 2 1099 126 126 GLU HG2 H 2.10 0.02 2 1100 126 126 GLU HG3 H 2.21 0.02 2 1101 126 126 GLU C C 176.12 0.30 1 1102 126 126 GLU CA C 56.94 0.30 1 1103 126 126 GLU CB C 32.45 0.30 1 1104 126 126 GLU CG C 35.87 0.30 1 1105 126 126 GLU N N 125.74 0.30 1 1106 127 127 ALA H H 7.46 0.02 1 1107 127 127 ALA HA H 4.36 0.02 1 1108 127 127 ALA HB H 1.31 0.02 1 1109 127 127 ALA C C 173.40 0.30 1 1110 127 127 ALA CA C 51.36 0.30 1 1111 127 127 ALA CB C 22.18 0.30 1 1112 127 127 ALA N N 120.91 0.30 1 1113 128 128 LYS H H 7.94 0.02 1 1114 128 128 LYS HA H 3.58 0.02 1 1115 128 128 LYS HB2 H 1.53 0.02 2 1116 128 128 LYS HB3 H 1.68 0.02 2 1117 128 128 LYS HG2 H 1.27 0.02 2 1118 128 128 LYS HG3 H 1.44 0.02 2 1119 128 128 LYS HD2 H 1.67 0.02 1 1120 128 128 LYS HD3 H 1.67 0.02 1 1121 128 128 LYS HE2 H 2.99 0.02 1 1122 128 128 LYS HE3 H 2.99 0.02 1 1123 128 128 LYS C C 176.08 0.30 1 1124 128 128 LYS CA C 56.86 0.30 1 1125 128 128 LYS CB C 33.17 0.30 1 1126 128 128 LYS CG C 24.49 0.30 1 1127 128 128 LYS CD C 29.92 0.30 1 1128 128 128 LYS CE C 41.91 0.30 1 1129 128 128 LYS N N 116.52 0.30 1 1130 129 129 ALA H H 8.59 0.02 1 1131 129 129 ALA HA H 4.39 0.02 1 1132 129 129 ALA HB H 1.31 0.02 1 1133 129 129 ALA C C 174.97 0.30 1 1134 129 129 ALA CA C 52.97 0.30 1 1135 129 129 ALA CB C 21.50 0.30 1 1136 129 129 ALA N N 124.71 0.30 1 1137 130 130 GLU H H 8.66 0.02 1 1138 130 130 GLU HA H 4.66 0.02 1 1139 130 130 GLU HB2 H 1.92 0.02 1 1140 130 130 GLU HB3 H 1.92 0.02 1 1141 130 130 GLU HG2 H 2.14 0.02 2 1142 130 130 GLU HG3 H 2.20 0.02 2 1143 130 130 GLU C C 177.39 0.30 1 1144 130 130 GLU CA C 55.07 0.30 1 1145 130 130 GLU CB C 30.86 0.30 1 1146 130 130 GLU CG C 36.41 0.30 1 1147 130 130 GLU N N 123.18 0.30 1 1148 131 131 GLY H H 9.17 0.02 1 1149 131 131 GLY HA2 H 3.56 0.02 2 1150 131 131 GLY HA3 H 3.75 0.02 2 1151 131 131 GLY C C 174.55 0.30 1 1152 131 131 GLY CA C 47.66 0.30 1 1153 131 131 GLY N N 115.53 0.30 1 1154 132 132 SER H H 8.43 0.02 1 1155 132 132 SER HA H 4.17 0.02 1 1156 132 132 SER HB2 H 3.56 0.02 2 1157 132 132 SER HB3 H 3.94 0.02 2 1158 132 132 SER C C 175.35 0.30 1 1159 132 132 SER CA C 59.05 0.30 1 1160 132 132 SER CB C 64.88 0.30 1 1161 132 132 SER N N 115.93 0.30 1 1162 133 133 ASN H H 8.85 0.02 1 1163 133 133 ASN HA H 4.91 0.02 1 1164 133 133 ASN HB2 H 2.67 0.02 1 1165 133 133 ASN HB3 H 2.67 0.02 1 1166 133 133 ASN HD21 H 6.88 0.02 2 1167 133 133 ASN HD22 H 7.29 0.02 2 1168 133 133 ASN C C 175.45 0.30 1 1169 133 133 ASN CA C 54.92 0.30 1 1170 133 133 ASN CB C 41.06 0.30 1 1171 133 133 ASN N N 125.59 0.30 1 1172 133 133 ASN ND2 N 111.55 0.30 1 1173 134 134 LEU H H 9.07 0.02 1 1174 134 134 LEU HA H 5.23 0.02 1 1175 134 134 LEU HB2 H 1.06 0.02 2 1176 134 134 LEU HB3 H 1.79 0.02 2 1177 134 134 LEU HG H 1.56 0.02 1 1178 134 134 LEU HD1 H 0.64 0.02 2 1179 134 134 LEU HD2 H 0.55 0.02 2 1180 134 134 LEU C C 175.24 0.30 1 1181 134 134 LEU CA C 53.47 0.30 1 1182 134 134 LEU CB C 45.09 0.30 1 1183 134 134 LEU CG C 26.25 0.30 1 1184 134 134 LEU CD1 C 24.39 0.30 1 1185 134 134 LEU CD2 C 26.56 0.30 1 1186 134 134 LEU N N 129.21 0.30 1 1187 135 135 SER H H 8.69 0.02 1 1188 135 135 SER HA H 5.28 0.02 1 1189 135 135 SER HB2 H 3.88 0.02 1 1190 135 135 SER HB3 H 3.88 0.02 1 1191 135 135 SER C C 173.59 0.30 1 1192 135 135 SER CA C 56.22 0.30 1 1193 135 135 SER CB C 66.51 0.30 1 1194 135 135 SER N N 113.02 0.30 1 1195 136 136 VAL H H 8.94 0.02 1 1196 136 136 VAL HA H 5.50 0.02 1 1197 136 136 VAL HB H 1.75 0.02 1 1198 136 136 VAL HG1 H 0.80 0.02 2 1199 136 136 VAL HG2 H 1.06 0.02 2 1200 136 136 VAL C C 175.73 0.30 1 1201 136 136 VAL CA C 60.96 0.30 1 1202 136 136 VAL CB C 33.63 0.30 1 1203 136 136 VAL CG1 C 22.84 0.30 1 1204 136 136 VAL CG2 C 24.02 0.30 1 1205 136 136 VAL N N 124.34 0.30 1 1206 137 137 THR H H 9.24 0.02 1 1207 137 137 THR HA H 4.92 0.02 1 1208 137 137 THR HB H 4.41 0.02 1 1209 137 137 THR HG2 H 1.07 0.02 1 1210 137 137 THR C C 173.50 0.30 1 1211 137 137 THR CA C 59.12 0.30 1 1212 137 137 THR CB C 72.50 0.30 1 1213 137 137 THR CG2 C 21.28 0.30 1 1214 137 137 THR N N 117.01 0.30 1 1215 138 138 ASN H H 9.19 0.02 1 1216 138 138 ASN HA H 4.42 0.02 1 1217 138 138 ASN HB2 H 2.61 0.02 2 1218 138 138 ASN HB3 H 2.95 0.02 2 1219 138 138 ASN HD21 H 6.89 0.02 2 1220 138 138 ASN HD22 H 7.58 0.02 2 1221 138 138 ASN C C 175.55 0.30 1 1222 138 138 ASN CA C 54.35 0.30 1 1223 138 138 ASN CB C 37.38 0.30 1 1224 138 138 ASN N N 115.27 0.30 1 1225 138 138 ASN ND2 N 112.07 0.30 1 1226 139 139 SER H H 8.56 0.02 1 1227 139 139 SER HA H 5.80 0.02 1 1228 139 139 SER HB2 H 3.53 0.02 2 1229 139 139 SER HB3 H 3.80 0.02 2 1230 139 139 SER C C 175.75 0.30 1 1231 139 139 SER CA C 56.02 0.30 1 1232 139 139 SER CB C 65.32 0.30 1 1233 139 139 SER N N 112.36 0.30 1 1234 140 140 SER H H 9.90 0.02 1 1235 140 140 SER HA H 5.36 0.02 1 1236 140 140 SER HB2 H 3.63 0.02 2 1237 140 140 SER HB3 H 3.80 0.02 2 1238 140 140 SER C C 172.62 0.30 1 1239 140 140 SER CA C 57.40 0.30 1 1240 140 140 SER CB C 66.55 0.30 1 1241 140 140 SER N N 119.13 0.30 1 1242 141 141 VAL H H 9.03 0.02 1 1243 141 141 VAL HA H 5.52 0.02 1 1244 141 141 VAL HB H 2.22 0.02 1 1245 141 141 VAL HG1 H 0.86 0.02 2 1246 141 141 VAL HG2 H 0.80 0.02 2 1247 141 141 VAL C C 174.75 0.30 1 1248 141 141 VAL CA C 58.31 0.30 1 1249 141 141 VAL CB C 35.03 0.30 1 1250 141 141 VAL CG1 C 18.85 0.30 1 1251 141 141 VAL CG2 C 22.85 0.30 1 1252 141 141 VAL N N 111.41 0.30 1 1253 142 142 GLY H H 8.79 0.02 1 1254 142 142 GLY HA2 H 3.60 0.02 2 1255 142 142 GLY HA3 H 5.31 0.02 2 1256 142 142 GLY C C 174.18 0.30 1 1257 142 142 GLY CA C 44.11 0.30 1 1258 142 142 GLY N N 109.33 0.30 1 1259 143 143 ASP H H 8.84 0.02 1 1260 143 143 ASP HA H 5.79 0.02 1 1261 143 143 ASP HB2 H 2.68 0.02 2 1262 143 143 ASP HB3 H 3.85 0.02 2 1263 143 143 ASP C C 178.86 0.30 1 1264 143 143 ASP CA C 53.04 0.30 1 1265 143 143 ASP CB C 43.66 0.30 1 1266 143 143 ASP N N 125.39 0.30 1 1267 144 144 GLY H H 9.15 0.02 1 1268 144 144 GLY HA2 H 3.45 0.02 2 1269 144 144 GLY HA3 H 3.72 0.02 2 1270 144 144 GLY C C 174.77 0.30 1 1271 144 144 GLY CA C 46.93 0.30 1 1272 144 144 GLY N N 106.47 0.30 1 1273 145 145 GLU H H 8.47 0.02 1 1274 145 145 GLU HA H 4.46 0.02 1 1275 145 145 GLU HB2 H 2.24 0.02 1 1276 145 145 GLU HB3 H 2.24 0.02 1 1277 145 145 GLU HG2 H 2.19 0.02 2 1278 145 145 GLU HG3 H 2.25 0.02 2 1279 145 145 GLU C C 176.52 0.30 1 1280 145 145 GLU CA C 55.33 0.30 1 1281 145 145 GLU CB C 30.62 0.30 1 1282 145 145 GLU CG C 36.84 0.30 1 1283 145 145 GLU N N 119.17 0.30 1 1284 146 146 GLY H H 7.95 0.02 1 1285 146 146 GLY HA2 H 3.63 0.02 2 1286 146 146 GLY HA3 H 4.13 0.02 2 1287 146 146 GLY C C 174.35 0.30 1 1288 146 146 GLY CA C 45.33 0.30 1 1289 146 146 GLY N N 108.13 0.30 1 1290 147 147 LEU H H 8.44 0.02 1 1291 147 147 LEU HA H 4.34 0.02 1 1292 147 147 LEU HB2 H 1.19 0.02 2 1293 147 147 LEU HB3 H 2.15 0.02 2 1294 147 147 LEU HG H 1.51 0.02 1 1295 147 147 LEU HD1 H 0.82 0.02 2 1296 147 147 LEU HD2 H 0.96 0.02 2 1297 147 147 LEU C C 175.95 0.30 1 1298 147 147 LEU CA C 54.86 0.30 1 1299 147 147 LEU CB C 41.59 0.30 1 1300 147 147 LEU CG C 27.56 0.30 1 1301 147 147 LEU CD1 C 23.50 0.30 1 1302 147 147 LEU CD2 C 25.14 0.30 1 1303 147 147 LEU N N 124.00 0.30 1 1304 148 148 VAL H H 7.78 0.02 1 1305 148 148 VAL HA H 4.83 0.02 1 1306 148 148 VAL HB H 1.74 0.02 1 1307 148 148 VAL HG1 H 0.81 0.02 2 1308 148 148 VAL HG2 H 0.78 0.02 2 1309 148 148 VAL C C 175.74 0.30 1 1310 148 148 VAL CA C 61.14 0.30 1 1311 148 148 VAL CB C 33.64 0.30 1 1312 148 148 VAL CG1 C 21.30 0.30 1 1313 148 148 VAL CG2 C 22.23 0.30 1 1314 148 148 VAL N N 120.44 0.30 1 1315 149 149 HIS H H 9.17 0.02 1 1316 149 149 HIS HA H 4.95 0.02 1 1317 149 149 HIS HB2 H 2.67 0.02 2 1318 149 149 HIS HB3 H 3.00 0.02 2 1319 149 149 HIS HD2 H 6.67 0.02 1 1320 149 149 HIS C C 174.78 0.30 1 1321 149 149 HIS CA C 53.90 0.30 1 1322 149 149 HIS CB C 32.20 0.30 1 1323 149 149 HIS N N 124.70 0.30 1 1324 150 150 GLU H H 9.06 0.02 1 1325 150 150 GLU HA H 4.42 0.02 1 1326 150 150 GLU HB2 H 2.03 0.02 2 1327 150 150 GLU HB3 H 2.07 0.02 2 1328 150 150 GLU HG2 H 2.27 0.02 2 1329 150 150 GLU HG3 H 2.45 0.02 2 1330 150 150 GLU C C 176.52 0.30 1 1331 150 150 GLU CA C 57.63 0.30 1 1332 150 150 GLU CB C 30.37 0.30 1 1333 150 150 GLU CG C 36.90 0.30 1 1334 150 150 GLU N N 125.54 0.30 1 1335 151 151 ILE H H 8.15 0.02 1 1336 151 151 ILE HA H 4.78 0.02 1 1337 151 151 ILE HB H 1.43 0.02 1 1338 151 151 ILE HG12 H 1.183 0.02 1 1339 151 151 ILE HG13 H 1.44 0.02 1 1340 151 151 ILE HG2 H 0.68 0.02 1 1341 151 151 ILE HD1 H 0.63 0.02 1 1342 151 151 ILE C C 174.57 0.30 1 1343 151 151 ILE CA C 59.39 0.30 1 1344 151 151 ILE CB C 42.04 0.30 1 1345 151 151 ILE CG1 C 24.91 0.30 1 1346 151 151 ILE CG2 C 17.57 0.30 1 1347 151 151 ILE CD1 C 14.68 0.30 1 1348 151 151 ILE N N 115.88 0.30 1 1349 152 152 ALA H H 8.01 0.02 1 1350 152 152 ALA HA H 4.31 0.02 1 1351 152 152 ALA HB H 1.62 0.02 1 1352 152 152 ALA C C 177.50 0.30 1 1353 152 152 ALA CA C 53.68 0.30 1 1354 152 152 ALA CB C 20.05 0.30 1 1355 152 152 ALA N N 126.64 0.30 1 1356 153 153 GLY H H 8.34 0.02 1 1357 153 153 GLY HA2 H 4.05 0.02 2 1358 153 153 GLY HA3 H 4.14 0.02 2 1359 153 153 GLY C C 173.14 0.30 1 1360 153 153 GLY CA C 44.13 0.30 1 1361 153 153 GLY N N 107.49 0.30 1 1362 154 154 THR H H 7.38 0.02 1 1363 154 154 THR HA H 4.70 0.02 1 1364 154 154 THR HB H 4.12 0.02 1 1365 154 154 THR HG2 H 0.85 0.02 1 1366 154 154 THR C C 171.12 0.30 1 1367 154 154 THR CA C 60.83 0.30 1 1368 154 154 THR CB C 68.85 0.30 1 1369 154 154 THR CG2 C 20.10 0.30 1 1370 154 154 THR N N 109.34 0.30 1 1371 155 155 GLU H H 8.02 0.02 1 1372 155 155 GLU HA H 5.37 0.02 1 1373 155 155 GLU HB2 H 2.04 0.02 2 1374 155 155 GLU HB3 H 2.07 0.02 2 1375 155 155 GLU HG2 H 2.08 0.02 2 1376 155 155 GLU HG3 H 2.17 0.02 2 1377 155 155 GLU C C 174.24 0.30 1 1378 155 155 GLU CA C 54.83 0.30 1 1379 155 155 GLU CB C 33.62 0.30 1 1380 155 155 GLU CG C 34.84 0.30 1 1381 155 155 GLU N N 118.69 0.30 1 1382 156 156 LYS H H 9.23 0.02 1 1383 156 156 LYS HA H 4.65 0.02 1 1384 156 156 LYS HB2 H 1.70 0.02 1 1385 156 156 LYS HB3 H 1.70 0.02 1 1386 156 156 LYS HG2 H 1.46 0.02 1 1387 156 156 LYS HG3 H 1.46 0.02 1 1388 156 156 LYS HD2 H 1.60 0.02 2 1389 156 156 LYS HD3 H 1.66 0.02 2 1390 156 156 LYS HE2 H 3.12 0.02 1 1391 156 156 LYS HE3 H 3.12 0.02 1 1392 156 156 LYS C C 174.00 0.30 1 1393 156 156 LYS CA C 55.84 0.30 1 1394 156 156 LYS CB C 37.55 0.30 1 1395 156 156 LYS CG C 25.27 0.30 1 1396 156 156 LYS CD C 29.09 0.30 1 1397 156 156 LYS CE C 42.10 0.30 1 1398 156 156 LYS N N 121.94 0.30 1 1399 157 157 THR H H 8.16 0.02 1 1400 157 157 THR HA H 5.44 0.02 1 1401 157 157 THR HB H 3.84 0.02 1 1402 157 157 THR HG2 H 1.07 0.02 1 1403 157 157 THR C C 174.36 0.30 1 1404 157 157 THR CA C 60.41 0.30 1 1405 157 157 THR CB C 71.50 0.30 1 1406 157 157 THR CG2 C 21.77 0.30 1 1407 157 157 THR N N 113.24 0.30 1 1408 158 158 VAL H H 9.12 0.02 1 1409 158 158 VAL HA H 4.58 0.02 1 1410 158 158 VAL HB H 1.94 0.02 1 1411 158 158 VAL HG1 H 0.90 0.02 2 1412 158 158 VAL HG2 H 0.93 0.02 2 1413 158 158 VAL C C 172.80 0.30 1 1414 158 158 VAL CA C 59.98 0.30 1 1415 158 158 VAL CB C 36.29 0.30 1 1416 158 158 VAL CG1 C 20.98 0.30 1 1417 158 158 VAL CG2 C 20.98 0.30 1 1418 158 158 VAL N N 121.71 0.30 1 1419 159 159 ASN H H 8.24 0.02 1 1420 159 159 ASN HA H 5.42 0.02 1 1421 159 159 ASN HB2 H 2.75 0.02 2 1422 159 159 ASN HB3 H 2.88 0.02 2 1423 159 159 ASN HD21 H 6.94 0.02 2 1424 159 159 ASN HD22 H 8.00 0.02 2 1425 159 159 ASN C C 173.80 0.30 1 1426 159 159 ASN CA C 51.74 0.30 1 1427 159 159 ASN CB C 40.38 0.30 1 1428 159 159 ASN N N 122.73 0.30 1 1429 159 159 ASN ND2 N 114.90 0.30 1 1430 160 160 ILE H H 9.16 0.02 1 1431 160 160 ILE HA H 5.13 0.02 1 1432 160 160 ILE HB H 1.92 0.02 1 1433 160 160 ILE HG12 H 0.51 0.02 1 1434 160 160 ILE HG13 H 1.29 0.02 1 1435 160 160 ILE HG2 H 0.56 0.02 1 1436 160 160 ILE HD1 H 0.32 0.02 1 1437 160 160 ILE C C 177.32 0.30 1 1438 160 160 ILE CA C 60.64 0.30 1 1439 160 160 ILE CB C 38.52 0.30 1 1440 160 160 ILE CG1 C 27.28 0.30 1 1441 160 160 ILE CG2 C 21.63 0.30 1 1442 160 160 ILE CD1 C 15.88 0.30 1 1443 160 160 ILE N N 123.69 0.30 1 1444 161 161 ILE H H 8.78 0.02 1 1445 161 161 ILE HA H 4.59 0.02 1 1446 161 161 ILE HB H 1.96 0.02 1 1447 161 161 ILE HG12 H 1.22 0.02 1 1448 161 161 ILE HG13 H 1.22 0.02 1 1449 161 161 ILE HG2 H 0.82 0.02 1 1450 161 161 ILE HD1 H 0.75 0.02 1 1451 161 161 ILE C C 174.96 0.30 1 1452 161 161 ILE CA C 59.32 0.30 1 1453 161 161 ILE CB C 41.03 0.30 1 1454 161 161 ILE CG1 C 26.18 0.30 1 1455 161 161 ILE CG2 C 18.19 0.30 1 1456 161 161 ILE CD1 C 13.84 0.30 1 1457 161 161 ILE N N 122.49 0.30 1 1458 162 162 GLU H H 8.62 0.02 1 1459 162 162 GLU HA H 4.29 0.02 1 1460 162 162 GLU HB2 H 1.89 0.02 2 1461 162 162 GLU HB3 H 2.03 0.02 2 1462 162 162 GLU HG2 H 2.26 0.02 1 1463 162 162 GLU HG3 H 2.26 0.02 1 1464 162 162 GLU C C 176.66 0.30 1 1465 162 162 GLU CA C 56.47 0.30 1 1466 162 162 GLU CB C 31.15 0.30 1 1467 162 162 GLU CG C 36.89 0.30 1 1468 162 162 GLU N N 120.52 0.30 1 1469 163 163 GLY H H 8.48 0.02 1 1470 163 163 GLY HA2 H 3.91 0.02 2 1471 163 163 GLY HA3 H 4.15 0.02 2 1472 163 163 GLY C C 174.00 0.30 1 1473 163 163 GLY CA C 45.27 0.30 1 1474 163 163 GLY N N 110.21 0.30 1 1475 164 164 THR H H 8.17 0.02 1 1476 164 164 THR HA H 4.41 0.02 1 1477 164 164 THR HB H 4.28 0.02 1 1478 164 164 THR HG2 H 1.18 0.02 1 1479 164 164 THR C C 174.10 0.30 1 1480 164 164 THR CA C 61.62 0.30 1 1481 164 164 THR CB C 70.06 0.30 1 1482 164 164 THR CG2 C 21.48 0.30 1 1483 164 164 THR N N 113.48 0.30 1 1484 165 165 SER H H 8.05 0.02 1 1485 165 165 SER HA H 4.28 0.02 1 1486 165 165 SER HB2 H 3.84 0.02 1 1487 165 165 SER HB3 H 3.84 0.02 1 1488 165 165 SER CA C 60.19 0.30 1 1489 165 165 SER CB C 64.80 0.30 1 1490 165 165 SER N N 123.67 0.30 1 stop_ save_