data_16956 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of 1H, 13C, 15N resonance in C-terminal subunit from Azotobacter vinelandii mannronan C5-epimerase 6 (AlgE6R3) ; _BMRB_accession_number 16956 _BMRB_flat_file_name bmr16956.str _Entry_type original _Submission_date 2010-05-26 _Accession_date 2010-05-26 _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 Buchinger Edith . . 2 Skjaak-Braek Gudmund . . 3 Valla Svein . . 4 Wimmer Reinhard . . 5 Aachmann Finn L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 870 "13C chemical shifts" 664 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-24 update BMRB 'update entry citation' 2010-08-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15716 '1H, 15N, 13C resonance assignment of the AlgE6R1 subunit from the Azotobacter vinelandii Mannuronan C5-epimerase' 6390 'NMR assignment of the R-module from the Azotobacter vinelandii mannuronan C5-epimerase AlgE4' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignments of (1)H, (13)C and (15)N resonances of the C-terminal subunit from Azotobacter vinelandii mannuronan C5-epimerase 6 (AlgE6R3).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20711760 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buchinger Edith . . 2 Skjak-Braek Gudmund . . 3 Valla Svein . . 4 Wimmer Reinhard . . 5 Aachmann Finn L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 27 _Page_last 29 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AlgE6R3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AlgE6R3 $AlgE6R3 'metal ions' $CA stop_ _System_molecular_weight 18225.5 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AlgE6R3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AlgE6R3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 181 _Mol_residue_sequence ; ADPGVEGTPVVGSDLDDELH GTLGSEQILGGGGADQLYGY AGNDLLDGGAGRDKLSGGEG ADTFRFALREDSHRSPLGTF GDRILDFDPSQDRIDVSALG FSGLGNGYAGSLAVSVSDDG TRTYLKSYEADAQGLSFEVA LEGDHAAALSADNIVFAATD AAAAGELGVIGASGQPDDPT V ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 PRO 4 GLY 5 VAL 6 GLU 7 GLY 8 THR 9 PRO 10 VAL 11 VAL 12 GLY 13 SER 14 ASP 15 LEU 16 ASP 17 ASP 18 GLU 19 LEU 20 HIS 21 GLY 22 THR 23 LEU 24 GLY 25 SER 26 GLU 27 GLN 28 ILE 29 LEU 30 GLY 31 GLY 32 GLY 33 GLY 34 ALA 35 ASP 36 GLN 37 LEU 38 TYR 39 GLY 40 TYR 41 ALA 42 GLY 43 ASN 44 ASP 45 LEU 46 LEU 47 ASP 48 GLY 49 GLY 50 ALA 51 GLY 52 ARG 53 ASP 54 LYS 55 LEU 56 SER 57 GLY 58 GLY 59 GLU 60 GLY 61 ALA 62 ASP 63 THR 64 PHE 65 ARG 66 PHE 67 ALA 68 LEU 69 ARG 70 GLU 71 ASP 72 SER 73 HIS 74 ARG 75 SER 76 PRO 77 LEU 78 GLY 79 THR 80 PHE 81 GLY 82 ASP 83 ARG 84 ILE 85 LEU 86 ASP 87 PHE 88 ASP 89 PRO 90 SER 91 GLN 92 ASP 93 ARG 94 ILE 95 ASP 96 VAL 97 SER 98 ALA 99 LEU 100 GLY 101 PHE 102 SER 103 GLY 104 LEU 105 GLY 106 ASN 107 GLY 108 TYR 109 ALA 110 GLY 111 SER 112 LEU 113 ALA 114 VAL 115 SER 116 VAL 117 SER 118 ASP 119 ASP 120 GLY 121 THR 122 ARG 123 THR 124 TYR 125 LEU 126 LYS 127 SER 128 TYR 129 GLU 130 ALA 131 ASP 132 ALA 133 GLN 134 GLY 135 LEU 136 SER 137 PHE 138 GLU 139 VAL 140 ALA 141 LEU 142 GLU 143 GLY 144 ASP 145 HIS 146 ALA 147 ALA 148 ALA 149 LEU 150 SER 151 ALA 152 ASP 153 ASN 154 ILE 155 VAL 156 PHE 157 ALA 158 ALA 159 THR 160 ASP 161 ALA 162 ALA 163 ALA 164 ALA 165 GLY 166 GLU 167 LEU 168 GLY 169 VAL 170 ILE 171 GLY 172 ALA 173 SER 174 GLY 175 GLN 176 PRO 177 ASP 178 ASP 179 PRO 180 THR 181 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AlgE6R3 'A. vinelandii' 354 Bacteria . Azotobacter vinelandii 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 $AlgE6R3 'recombinant technology' . Escherichia coli 'ER 2566' pFA13 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 $AlgE6R3 0.15 mM '[U-13C; U-15N]' HEPES 20 mM 'natural abundance' $CA 25 mM 'natural abundance' H20 90 % 'natural abundance' D20 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 $AlgE6R3 0,15 mM '[U-13C; U-15N]' HEPES 20 mM 'natural abundance' $CA 25 mM 'natural abundance' D20 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AlgE6R3 0,15 mM '[U-13C; U-15N]' HEPES 20 mM [U-2H] $CA 25 mM 'natural abundance' D20 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNHAHB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H 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 pH 6.9 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbon' ppm 0 internal direct . . . 1 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 nitrogen ppm 0 internal direct . . . 1 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D HN(CA)CO' '3D HNHAHB' '2D 1H-1H 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 AlgE6R3 _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 3 3 PRO HA H 4.46 0.02 1 2 3 3 PRO HB2 H 2.33 0.02 2 3 3 3 PRO HB3 H 1.99 0.02 2 4 3 3 PRO HD2 H 3.82 0.02 2 5 3 3 PRO HD3 H 3.70 0.02 2 6 3 3 PRO HG2 H 2.05 0.02 2 7 3 3 PRO HG3 H 2.08 0.02 2 8 3 3 PRO C C 177.5 0.3 1 9 3 3 PRO CA C 63.8 0.3 1 10 3 3 PRO CB C 31.8 0.3 1 11 3 3 PRO CD C 50.7 0.3 1 12 3 3 PRO CG C 26.8 0.3 1 13 4 4 GLY H H 8.62 0.02 1 14 4 4 GLY HA2 H 4.01 0.02 2 15 4 4 GLY HA3 H 3.91 0.02 2 16 4 4 GLY C C 174.0 0.3 1 17 4 4 GLY CA C 45.4 0.3 1 18 4 4 GLY N N 109.6 0.3 1 19 5 5 VAL H H 7.93 0.02 1 20 5 5 VAL HA H 4.17 0.02 1 21 5 5 VAL HB H 2.12 0.02 1 22 5 5 VAL HG1 H 0.94 0.02 1 23 5 5 VAL HG2 H 0.91 0.02 1 24 5 5 VAL C C 176.0 0.3 1 25 5 5 VAL CA C 62.2 0.3 1 26 5 5 VAL CB C 32.7 0.3 1 27 5 5 VAL CG1 C 20.4 0.3 1 28 5 5 VAL CG2 C 20.4 0.3 1 29 5 5 VAL N N 119.8 0.3 1 30 6 6 GLU H H 8.62 0.02 1 31 6 6 GLU HA H 4.46 0.02 1 32 6 6 GLU HB2 H 2.09 0.02 2 33 6 6 GLU HB3 H 1.99 0.02 2 34 6 6 GLU HG2 H 2.35 0.02 2 35 6 6 GLU HG3 H 2.29 0.02 2 36 6 6 GLU C C 177.0 0.3 1 37 6 6 GLU CA C 56.5 0.3 1 38 6 6 GLU CB C 30.5 0.3 1 39 6 6 GLU CG C 35.9 0.3 1 40 6 6 GLU N N 126.1 0.3 1 41 7 7 GLY H H 8.68 0.02 1 42 7 7 GLY HA2 H 4.37 0.02 2 43 7 7 GLY HA3 H 3.85 0.02 2 44 7 7 GLY C C 173.9 0.3 1 45 7 7 GLY CA C 44.4 0.3 1 46 7 7 GLY N N 111.4 0.3 1 47 8 8 THR H H 8.31 0.02 1 48 8 8 THR HA H 4.51 0.02 1 49 8 8 THR HB H 4.12 0.02 1 50 8 8 THR HG2 H 1.40 0.02 1 51 8 8 THR C C 172.2 0.3 1 52 8 8 THR CA C 60.7 0.3 1 53 8 8 THR CB C 69.6 0.3 1 54 8 8 THR CG2 C 21.9 0.3 1 55 8 8 THR N N 119.3 0.3 1 56 9 9 PRO HA H 4.45 0.02 1 57 9 9 PRO HB2 H 2.32 0.02 2 58 9 9 PRO HB3 H 1.94 0.02 2 59 9 9 PRO HD2 H 3.88 0.02 2 60 9 9 PRO HD3 H 3.81 0.02 2 61 9 9 PRO HG2 H 2.08 0.02 2 62 9 9 PRO HG3 H 2.04 0.02 2 63 9 9 PRO C C 176.7 0.3 1 64 9 9 PRO CA C 63.3 0.3 1 65 9 9 PRO CB C 31.9 0.3 1 66 9 9 PRO CD C 50.7 0.3 1 67 9 9 PRO CG C 27.2 0.3 1 68 10 10 VAL H H 8.41 0.02 1 69 10 10 VAL HA H 4.11 0.02 1 70 10 10 VAL HB H 2.05 0.02 1 71 10 10 VAL HG1 H 0.95 0.02 1 72 10 10 VAL HG2 H 0.92 0.02 1 73 10 10 VAL C C 176.3 0.3 1 74 10 10 VAL CA C 62.5 0.3 1 75 10 10 VAL CB C 32.3 0.3 1 76 10 10 VAL CG1 C 20.4 0.3 1 77 10 10 VAL CG2 C 20.8 0.3 1 78 10 10 VAL N N 122.3 0.3 1 79 11 11 VAL H H 8.38 0.02 1 80 11 11 VAL HA H 4.15 0.02 1 81 11 11 VAL HB H 2.06 0.02 1 82 11 11 VAL HG1 H 0.93 0.02 1 83 11 11 VAL HG2 H 0.95 0.02 1 84 11 11 VAL C C 176.5 0.3 1 85 11 11 VAL CA C 62.6 0.3 1 86 11 11 VAL CB C 32.6 0.3 1 87 11 11 VAL CG1 C 20.4 0.3 1 88 11 11 VAL CG2 C 21.1 0.3 1 89 11 11 VAL N N 125.8 0.3 1 90 12 12 GLY H H 8.64 0.02 1 91 12 12 GLY HA2 H 4.08 0.02 2 92 12 12 GLY HA3 H 3.98 0.02 2 93 12 12 GLY C C 174.0 0.3 1 94 12 12 GLY CA C 45.3 0.3 1 95 12 12 GLY N N 114.0 0.3 1 96 13 13 SER H H 8.27 0.02 1 97 13 13 SER HA H 4.45 0.02 1 98 13 13 SER HB2 H 3.93 0.02 2 99 13 13 SER HB3 H 3.86 0.02 2 100 13 13 SER C C 174.3 0.3 1 101 13 13 SER CA C 58.8 0.3 1 102 13 13 SER CB C 63.9 0.3 1 103 13 13 SER N N 116.2 0.3 1 104 14 14 ASP HA H 4.47 0.02 1 105 14 14 ASP HB2 H 2.88 0.02 2 106 14 14 ASP HB3 H 2.59 0.02 2 107 14 14 ASP C C 171.1 0.3 1 108 14 14 ASP CA C 56.4 0.3 1 109 14 14 ASP CB C 39.9 0.3 1 110 15 15 LEU H H 8.02 0.02 1 111 15 15 LEU HA H 4.47 0.02 1 112 15 15 LEU HB2 H 1.66 0.02 2 113 15 15 LEU HB3 H 1.60 0.02 2 114 15 15 LEU HD1 H 0.93 0.02 1 115 15 15 LEU HD2 H 0.88 0.02 1 116 15 15 LEU HG H 1.63 0.02 1 117 15 15 LEU C C 176.0 0.3 1 118 15 15 LEU CA C 53.2 0.3 1 119 15 15 LEU CB C 42.1 0.3 1 120 15 15 LEU CD1 C 25.0 0.3 1 121 15 15 LEU CD2 C 23.6 0.3 1 122 15 15 LEU CG C 26.9 0.3 1 123 15 15 LEU N N 118.1 0.3 1 124 16 16 ASP H H 8.41 0.02 1 125 16 16 ASP HA H 4.10 0.02 1 126 16 16 ASP HB2 H 2.87 0.02 2 127 16 16 ASP HB3 H 2.77 0.02 2 128 16 16 ASP C C 174.9 0.3 1 129 16 16 ASP CA C 55.3 0.3 1 130 16 16 ASP CB C 39.7 0.3 1 131 16 16 ASP N N 125.2 0.3 1 132 17 17 ASP H H 9.72 0.02 1 133 17 17 ASP HA H 5.15 0.02 1 134 17 17 ASP HB2 H 2.73 0.02 2 135 17 17 ASP HB3 H 2.65 0.02 2 136 17 17 ASP C C 175.2 0.3 1 137 17 17 ASP CA C 54.0 0.3 1 138 17 17 ASP CB C 46.1 0.3 1 139 17 17 ASP N N 125.5 0.3 1 140 18 18 GLU H H 9.01 0.02 1 141 18 18 GLU HA H 5.00 0.02 1 142 18 18 GLU HB2 H 2.18 0.02 2 143 18 18 GLU HB3 H 2.14 0.02 2 144 18 18 GLU HG2 H 2.37 0.02 2 145 18 18 GLU HG3 H 2.36 0.02 2 146 18 18 GLU C C 174.4 0.3 1 147 18 18 GLU CA C 56.0 0.3 1 148 18 18 GLU CB C 30.5 0.3 1 149 18 18 GLU CG C 36.4 0.3 1 150 18 18 GLU N N 124.8 0.3 1 151 19 19 LEU H H 9.09 0.02 1 152 19 19 LEU HA H 4.78 0.02 1 153 19 19 LEU HB2 H 1.73 0.02 2 154 19 19 LEU HB3 H 1.14 0.02 2 155 19 19 LEU HD1 H 0.78 0.02 1 156 19 19 LEU HD2 H 0.76 0.02 1 157 19 19 LEU HG H 1.43 0.02 1 158 19 19 LEU C C 173.8 0.3 1 159 19 19 LEU CA C 53.4 0.3 1 160 19 19 LEU CB C 43.6 0.3 1 161 19 19 LEU CD1 C 23.3 0.3 1 162 19 19 LEU CD2 C 26.9 0.3 1 163 19 19 LEU CG C 26.6 0.3 1 164 19 19 LEU N N 126.3 0.3 1 165 20 20 HIS H H 8.95 0.02 1 166 20 20 HIS HA H 5.07 0.02 1 167 20 20 HIS HB2 H 3.35 0.02 2 168 20 20 HIS HB3 H 3.19 0.02 2 169 20 20 HIS HD2 H 7.05 0.02 1 170 20 20 HIS HE1 H 7.13 0.02 1 171 20 20 HIS C C 175.5 0.3 1 172 20 20 HIS CA C 55.9 0.3 1 173 20 20 HIS CB C 33.6 0.3 1 174 20 20 HIS CD2 C 117.6 0.3 1 175 20 20 HIS CE1 C 138.5 0.3 1 176 20 20 HIS N N 123.9 0.3 1 177 21 21 GLY H H 9.37 0.02 1 178 21 21 GLY HA2 H 4.30 0.02 2 179 21 21 GLY HA3 H 3.93 0.02 2 180 21 21 GLY C C 171.4 0.3 1 181 21 21 GLY CA C 43.0 0.3 1 182 21 21 GLY N N 109.9 0.3 1 183 22 22 THR H H 10.09 0.02 1 184 22 22 THR HA H 4.99 0.02 1 185 22 22 THR HB H 4.51 0.02 1 186 22 22 THR HG2 H 1.18 0.02 1 187 22 22 THR C C 175.5 0.3 1 188 22 22 THR CA C 60.0 0.3 1 189 22 22 THR CB C 73.9 0.3 1 190 22 22 THR CG2 C 20.5 0.3 1 191 22 22 THR N N 112.2 0.3 1 192 23 23 LEU H H 8.70 0.02 1 193 23 23 LEU HA H 4.26 0.02 1 194 23 23 LEU HB2 H 1.80 0.02 2 195 23 23 LEU HB3 H 1.76 0.02 2 196 23 23 LEU HD1 H 0.94 0.02 1 197 23 23 LEU HD2 H 0.94 0.02 1 198 23 23 LEU HG H 1.76 0.02 1 199 23 23 LEU C C 175.8 0.3 1 200 23 23 LEU CA C 56.9 0.3 1 201 23 23 LEU CB C 40.3 0.3 1 202 23 23 LEU CD1 C 24.5 0.3 1 203 23 23 LEU CD2 C 24.0 0.3 1 204 23 23 LEU CG C 27.3 0.3 1 205 23 23 LEU N N 121.1 0.3 1 206 24 24 GLY H H 8.34 0.02 1 207 24 24 GLY HA2 H 4.37 0.02 2 208 24 24 GLY HA3 H 3.57 0.02 2 209 24 24 GLY C C 173.7 0.3 1 210 24 24 GLY CA C 42.9 0.3 1 211 24 24 GLY N N 104.8 0.3 1 212 25 25 SER H H 8.92 0.02 1 213 25 25 SER HA H 4.31 0.02 1 214 25 25 SER HB2 H 3.98 0.02 2 215 25 25 SER HB3 H 3.90 0.02 2 216 25 25 SER C C 173.4 0.3 1 217 25 25 SER CA C 58.4 0.3 1 218 25 25 SER CB C 63.4 0.3 1 219 25 25 SER N N 120.7 0.3 1 220 26 26 GLU H H 9.24 0.02 1 221 26 26 GLU HA H 4.90 0.02 1 222 26 26 GLU HB2 H 2.09 0.02 2 223 26 26 GLU HB3 H 2.00 0.02 2 224 26 26 GLU HG2 H 2.39 0.02 2 225 26 26 GLU HG3 H 2.32 0.02 2 226 26 26 GLU C C 174.8 0.3 1 227 26 26 GLU CA C 55.0 0.3 1 228 26 26 GLU CB C 31.0 0.3 1 229 26 26 GLU CG C 35.2 0.3 1 230 26 26 GLU N N 122.6 0.3 1 231 27 27 GLN H H 8.50 0.02 1 232 27 27 GLN HA H 5.29 0.02 1 233 27 27 GLN HB2 H 1.98 0.02 2 234 27 27 GLN HB3 H 1.88 0.02 2 235 27 27 GLN HE21 H 7.56 0.02 1 236 27 27 GLN HE22 H 6.82 0.02 1 237 27 27 GLN HG2 H 2.48 0.02 2 238 27 27 GLN HG3 H 2.24 0.02 2 239 27 27 GLN C C 175.2 0.3 1 240 27 27 GLN CA C 54.7 0.3 1 241 27 27 GLN CB C 29.5 0.3 1 242 27 27 GLN CG C 34.2 0.3 1 243 27 27 GLN N N 119.3 0.3 1 244 27 27 GLN NE2 N 111.3 0.3 1 245 28 28 ILE H H 9.35 0.02 1 246 28 28 ILE HA H 5.06 0.02 1 247 28 28 ILE HB H 1.68 0.02 1 248 28 28 ILE HD1 H 0.81 0.02 1 249 28 28 ILE HG12 H 1.62 0.02 2 250 28 28 ILE HG13 H 1.59 0.02 2 251 28 28 ILE HG2 H 0.67 0.02 1 252 28 28 ILE C C 173.8 0.3 1 253 28 28 ILE CA C 61.0 0.3 1 254 28 28 ILE CB C 39.9 0.3 1 255 28 28 ILE CD1 C 15.0 0.3 1 256 28 28 ILE CG1 C 27.6 0.3 1 257 28 28 ILE CG2 C 19.2 0.3 1 258 28 28 ILE N N 123.6 0.3 1 259 29 29 LEU H H 8.68 0.02 1 260 29 29 LEU HA H 5.33 0.02 1 261 29 29 LEU HB2 H 1.86 0.02 2 262 29 29 LEU HB3 H 1.58 0.02 2 263 29 29 LEU HD1 H 0.91 0.02 1 264 29 29 LEU HD2 H 0.84 0.02 1 265 29 29 LEU HG H 1.54 0.02 1 266 29 29 LEU C C 176.9 0.3 1 267 29 29 LEU CA C 52.5 0.3 1 268 29 29 LEU CB C 43.2 0.3 1 269 29 29 LEU CD1 C 24.7 0.3 1 270 29 29 LEU CD2 C 22.5 0.3 1 271 29 29 LEU CG C 26.8 0.3 1 272 29 29 LEU N N 127.2 0.3 1 273 30 30 GLY H H 9.08 0.02 1 274 30 30 GLY HA2 H 3.73 0.02 2 275 30 30 GLY HA3 H 3.69 0.02 2 276 30 30 GLY C C 174.9 0.3 1 277 30 30 GLY CA C 47.1 0.3 1 278 30 30 GLY N N 108.4 0.3 1 279 31 31 GLY H H 9.08 0.02 1 280 31 31 GLY HA2 H 4.00 0.02 2 281 31 31 GLY HA3 H 3.87 0.02 2 282 31 31 GLY C C 174.1 0.3 1 283 31 31 GLY CA C 44.9 0.3 1 284 31 31 GLY N N 112.0 0.3 1 285 32 32 GLY H H 9.17 0.02 1 286 32 32 GLY HA2 H 4.06 0.02 2 287 32 32 GLY HA3 H 4.00 0.02 2 288 32 32 GLY C C 172.2 0.3 1 289 32 32 GLY CA C 45.4 0.3 1 290 32 32 GLY N N 111.0 0.3 1 291 33 33 GLY H H 8.78 0.02 1 292 33 33 GLY HA2 H 4.02 0.02 2 293 33 33 GLY HA3 H 3.76 0.02 2 294 33 33 GLY C C 171.6 0.3 1 295 33 33 GLY CA C 43.9 0.3 1 296 33 33 GLY N N 110.9 0.3 1 297 34 34 ALA H H 8.90 0.02 1 298 34 34 ALA HA H 4.32 0.02 1 299 34 34 ALA HB H 1.44 0.02 1 300 34 34 ALA C C 175.4 0.3 1 301 34 34 ALA CA C 52.0 0.3 1 302 34 34 ALA CB C 18.8 0.3 1 303 34 34 ALA N N 128.9 0.3 1 304 35 35 ASP H H 9.11 0.02 1 305 35 35 ASP HA H 5.72 0.02 1 306 35 35 ASP HB2 H 2.58 0.02 2 307 35 35 ASP HB3 H 2.64 0.02 2 308 35 35 ASP C C 175.4 0.3 1 309 35 35 ASP CA C 53.4 0.3 1 310 35 35 ASP CB C 45.8 0.3 1 311 35 35 ASP N N 122.9 0.3 1 312 36 36 GLN H H 8.80 0.02 1 313 36 36 GLN HA H 5.15 0.02 1 314 36 36 GLN HB2 H 2.02 0.02 2 315 36 36 GLN HB3 H 1.95 0.02 2 316 36 36 GLN HE21 H 7.59 0.02 1 317 36 36 GLN HE22 H 6.95 0.02 1 318 36 36 GLN HG2 H 2.49 0.02 2 319 36 36 GLN HG3 H 2.21 0.02 2 320 36 36 GLN C C 173.0 0.3 1 321 36 36 GLN CA C 54.8 0.3 1 322 36 36 GLN CB C 31.7 0.3 1 323 36 36 GLN CG C 34.4 0.3 1 324 36 36 GLN N N 119.8 0.3 1 325 36 36 GLN NE2 N 112.7 0.3 1 326 37 37 LEU H H 8.41 0.02 1 327 37 37 LEU HA H 4.90 0.02 1 328 37 37 LEU HB2 H 1.55 0.02 2 329 37 37 LEU HB3 H 1.46 0.02 2 330 37 37 LEU HD1 H 0.74 0.02 1 331 37 37 LEU HD2 H 0.63 0.02 1 332 37 37 LEU HG H 1.67 0.02 1 333 37 37 LEU C C 174.8 0.3 1 334 37 37 LEU CA C 55.3 0.3 1 335 37 37 LEU CB C 42.2 0.3 1 336 37 37 LEU CD1 C 25.7 0.3 1 337 37 37 LEU CD2 C 27.6 0.3 1 338 37 37 LEU CG C 30.9 0.3 1 339 37 37 LEU N N 125.5 0.3 1 340 38 38 TYR H H 8.46 0.02 1 341 38 38 TYR HA H 5.06 0.02 1 342 38 38 TYR HB2 H 2.63 0.02 2 343 38 38 TYR HB3 H 2.27 0.02 2 344 38 38 TYR HD2 H 6.58 0.02 1 345 38 38 TYR HE2 H 6.55 0.02 1 346 38 38 TYR C C 174.7 0.3 1 347 38 38 TYR CA C 56.3 0.3 1 348 38 38 TYR CB C 40.6 0.3 1 349 38 38 TYR CD2 C 133.5 0.3 1 350 38 38 TYR CE2 C 117.2 0.3 1 351 38 38 TYR N N 120.8 0.3 1 352 39 39 GLY H H 9.13 0.02 1 353 39 39 GLY HA2 H 3.91 0.02 2 354 39 39 GLY HA3 H 3.53 0.02 2 355 39 39 GLY C C 174.4 0.3 1 356 39 39 GLY CA C 46.6 0.3 1 357 39 39 GLY N N 108.9 0.3 1 358 40 40 TYR H H 8.83 0.02 1 359 40 40 TYR HA H 4.42 0.02 1 360 40 40 TYR HB2 H 3.23 0.02 2 361 40 40 TYR HB3 H 3.18 0.02 2 362 40 40 TYR HD2 H 6.81 0.02 1 363 40 40 TYR HE2 H 6.90 0.02 1 364 40 40 TYR C C 174.1 0.3 1 365 40 40 TYR CA C 59.6 0.3 1 366 40 40 TYR CB C 35.3 0.3 1 367 40 40 TYR CD2 C 132.9 0.3 1 368 40 40 TYR CE2 C 117.9 0.3 1 369 40 40 TYR N N 117.2 0.3 1 370 41 41 ALA H H 7.80 0.02 1 371 41 41 ALA HA H 4.34 0.02 1 372 41 41 ALA HB H 1.64 0.02 1 373 41 41 ALA C C 174.2 0.3 1 374 41 41 ALA CA C 53.3 0.3 1 375 41 41 ALA CB C 18.7 0.3 1 376 41 41 ALA N N 123.8 0.3 1 377 42 42 GLY H H 8.79 0.02 1 378 42 42 GLY HA2 H 3.98 0.02 2 379 42 42 GLY HA3 H 3.63 0.02 2 380 42 42 GLY C C 172.8 0.3 1 381 42 42 GLY CA C 43.1 0.3 1 382 42 42 GLY N N 109.6 0.3 1 383 43 43 ASN H H 9.00 0.02 1 384 43 43 ASN HA H 4.33 0.02 1 385 43 43 ASN HB2 H 2.92 0.02 2 386 43 43 ASN HB3 H 2.89 0.02 2 387 43 43 ASN HD21 H 7.89 0.02 1 388 43 43 ASN HD22 H 7.20 0.02 1 389 43 43 ASN C C 172.8 0.3 1 390 43 43 ASN CA C 52.8 0.3 1 391 43 43 ASN CB C 36.3 0.3 1 392 43 43 ASN N N 126.7 0.3 1 393 43 43 ASN ND2 N 115.2 0.3 1 394 44 44 ASP H H 8.98 0.02 1 395 44 44 ASP HA H 5.20 0.02 1 396 44 44 ASP HB2 H 2.79 0.02 2 397 44 44 ASP HB3 H 2.66 0.02 2 398 44 44 ASP C C 173.5 0.3 1 399 44 44 ASP CA C 54.4 0.3 1 400 44 44 ASP CB C 43.5 0.3 1 401 44 44 ASP N N 124.0 0.3 1 402 45 45 LEU H H 8.54 0.02 1 403 45 45 LEU HA H 5.05 0.02 1 404 45 45 LEU HB2 H 1.67 0.02 2 405 45 45 LEU HB3 H 1.60 0.02 2 406 45 45 LEU HD1 H 0.68 0.02 1 407 45 45 LEU HD2 H 0.84 0.02 1 408 45 45 LEU HG H 1.46 0.02 1 409 45 45 LEU C C 173.9 0.3 1 410 45 45 LEU CA C 54.3 0.3 1 411 45 45 LEU CB C 43.7 0.3 1 412 45 45 LEU CD1 C 24.1 0.3 1 413 45 45 LEU CD2 C 26.0 0.3 1 414 45 45 LEU CG C 28.0 0.3 1 415 45 45 LEU N N 124.9 0.3 1 416 46 46 LEU H H 9.20 0.02 1 417 46 46 LEU HA H 5.12 0.02 1 418 46 46 LEU HB2 H 1.52 0.02 2 419 46 46 LEU HB3 H 1.49 0.02 2 420 46 46 LEU HD1 H 0.70 0.02 1 421 46 46 LEU HD2 H 0.60 0.02 1 422 46 46 LEU HG H 1.53 0.02 1 423 46 46 LEU CA C 55.0 0.3 1 424 46 46 LEU CB C 44.3 0.3 1 425 46 46 LEU CD1 C 28.4 0.3 1 426 46 46 LEU CD2 C 25.7 0.3 1 427 46 46 LEU CG C 31.1 0.3 1 428 46 46 LEU N N 127.6 0.3 1 429 47 47 ASP HA H 5.07 0.02 1 430 47 47 ASP HB2 H 2.90 0.02 2 431 47 47 ASP HB3 H 2.16 0.02 2 432 47 47 ASP C C 178.0 0.3 1 433 47 47 ASP CA C 52.2 0.3 1 434 47 47 ASP CB C 42.8 0.3 1 435 48 48 GLY H H 9.83 0.02 1 436 48 48 GLY HA2 H 3.87 0.02 2 437 48 48 GLY HA3 H 3.55 0.02 2 438 48 48 GLY C C 173.9 0.3 1 439 48 48 GLY CA C 46.9 0.3 1 440 48 48 GLY N N 113.2 0.3 1 441 49 49 GLY H H 9.10 0.02 1 442 49 49 GLY HA2 H 4.08 0.02 2 443 49 49 GLY HA3 H 3.83 0.02 2 444 49 49 GLY C C 172.9 0.3 1 445 49 49 GLY CA C 45.2 0.3 1 446 49 49 GLY N N 113.0 0.3 1 447 50 50 ALA H H 8.81 0.02 1 448 50 50 ALA HA H 4.43 0.02 1 449 50 50 ALA HB H 1.51 0.02 1 450 50 50 ALA C C 177.5 0.3 1 451 50 50 ALA CA C 53.3 0.3 1 452 50 50 ALA CB C 19.4 0.3 1 453 50 50 ALA N N 128.6 0.3 1 454 51 51 GLY H H 9.37 0.02 1 455 51 51 GLY HA2 H 4.19 0.02 2 456 51 51 GLY HA3 H 3.84 0.02 2 457 51 51 GLY C C 172.6 0.3 1 458 51 51 GLY CA C 44.2 0.3 1 459 51 51 GLY N N 111.1 0.3 1 460 52 52 ARG H H 8.79 0.02 1 461 52 52 ARG HA H 4.55 0.02 1 462 52 52 ARG HB2 H 2.00 0.02 2 463 52 52 ARG HB3 H 1.66 0.02 2 464 52 52 ARG HD2 H 3.21 0.02 2 465 52 52 ARG HD3 H 3.15 0.02 2 466 52 52 ARG HG2 H 1.41 0.02 2 467 52 52 ARG HG3 H 1.39 0.02 2 468 52 52 ARG C C 174.2 0.3 1 469 52 52 ARG CA C 55.7 0.3 1 470 52 52 ARG CB C 30.8 0.3 1 471 52 52 ARG CD C 44.4 0.3 1 472 52 52 ARG CG C 26.5 0.3 1 473 52 52 ARG N N 123.8 0.3 1 474 53 53 ASP H H 8.98 0.02 1 475 53 53 ASP HA H 5.72 0.02 1 476 53 53 ASP HB2 H 2.59 0.02 2 477 53 53 ASP HB3 H 2.55 0.02 2 478 53 53 ASP C C 174.8 0.3 1 479 53 53 ASP CA C 52.9 0.3 1 480 53 53 ASP CB C 45.8 0.3 1 481 53 53 ASP N N 126.7 0.3 1 482 54 54 LYS H H 9.04 0.02 1 483 54 54 LYS HA H 5.09 0.02 1 484 54 54 LYS HB2 H 1.73 0.02 2 485 54 54 LYS HB3 H 1.66 0.02 2 486 54 54 LYS HE2 H 3.05 0.02 2 487 54 54 LYS HE3 H 3.00 0.02 2 488 54 54 LYS HG2 H 1.66 0.02 2 489 54 54 LYS HG3 H 1.46 0.02 2 490 54 54 LYS C C 175.0 0.3 1 491 54 54 LYS CA C 55.8 0.3 1 492 54 54 LYS CB C 35.2 0.3 1 493 54 54 LYS CE C 41.9 0.3 1 494 54 54 LYS CG C 26.4 0.3 1 495 54 54 LYS N N 122.2 0.3 1 496 55 55 LEU H H 8.96 0.02 1 497 55 55 LEU HA H 4.70 0.02 1 498 55 55 LEU HB2 H 1.55 0.02 2 499 55 55 LEU HB3 H 1.50 0.02 2 500 55 55 LEU HD1 H 1.12 0.02 1 501 55 55 LEU HD2 H 0.88 0.02 1 502 55 55 LEU HG H 1.63 0.02 1 503 55 55 LEU C C 174.1 0.3 1 504 55 55 LEU CA C 53.9 0.3 1 505 55 55 LEU CB C 44.8 0.3 1 506 55 55 LEU CD1 C 26.6 0.3 1 507 55 55 LEU CD2 C 26.3 0.3 1 508 55 55 LEU CG C 27.4 0.3 1 509 55 55 LEU N N 123.1 0.3 1 510 56 56 SER H H 8.43 0.02 1 511 56 56 SER HA H 5.25 0.02 1 512 56 56 SER HB2 H 3.79 0.02 2 513 56 56 SER HB3 H 3.67 0.02 2 514 56 56 SER C C 175.0 0.3 1 515 56 56 SER CA C 55.8 0.3 1 516 56 56 SER CB C 63.4 0.3 1 517 56 56 SER N N 120.9 0.3 1 518 57 57 GLY H H 11.52 0.02 1 519 57 57 GLY HA2 H 3.93 0.02 2 520 57 57 GLY HA3 H 3.66 0.02 2 521 57 57 GLY C C 175.5 0.3 1 522 57 57 GLY CA C 47.0 0.3 1 523 57 57 GLY N N 120.7 0.3 1 524 58 58 GLY H H 10.69 0.02 1 525 58 58 GLY HA2 H 4.08 0.02 2 526 58 58 GLY HA3 H 3.81 0.02 2 527 58 58 GLY C C 173.7 0.3 1 528 58 58 GLY CA C 44.3 0.3 1 529 58 58 GLY N N 114.8 0.3 1 530 59 59 GLU H H 9.04 0.02 1 531 59 59 GLU HA H 4.34 0.02 1 532 59 59 GLU HB2 H 2.22 0.02 2 533 59 59 GLU HB3 H 1.80 0.02 2 534 59 59 GLU HG2 H 2.52 0.02 2 535 59 59 GLU HG3 H 2.46 0.02 2 536 59 59 GLU C C 176.2 0.3 1 537 59 59 GLU CA C 57.6 0.3 1 538 59 59 GLU CB C 30.4 0.3 1 539 59 59 GLU CG C 37.0 0.3 1 540 59 59 GLU N N 122.5 0.3 1 541 60 60 GLY H H 9.10 0.02 1 542 60 60 GLY HA2 H 4.29 0.02 2 543 60 60 GLY HA3 H 3.71 0.02 2 544 60 60 GLY C C 172.2 0.3 1 545 60 60 GLY CA C 44.0 0.3 1 546 60 60 GLY N N 113.7 0.3 1 547 61 61 ALA H H 8.18 0.02 1 548 61 61 ALA HA H 4.15 0.02 1 549 61 61 ALA HB H 1.22 0.02 1 550 61 61 ALA C C 174.5 0.3 1 551 61 61 ALA CA C 51.6 0.3 1 552 61 61 ALA CB C 17.9 0.3 1 553 61 61 ALA N N 126.6 0.3 1 554 62 62 ASP H H 8.96 0.02 1 555 62 62 ASP HA H 5.40 0.02 1 556 62 62 ASP HB2 H 2.06 0.02 2 557 62 62 ASP HB3 H 1.88 0.02 2 558 62 62 ASP C C 174.5 0.3 1 559 62 62 ASP CA C 53.8 0.3 1 560 62 62 ASP CB C 43.2 0.3 1 561 62 62 ASP N N 125.0 0.3 1 562 63 63 THR H H 9.06 0.02 1 563 63 63 THR HA H 4.95 0.02 1 564 63 63 THR HB H 3.91 0.02 1 565 63 63 THR HG2 H 1.09 0.02 1 566 63 63 THR C C 172.3 0.3 1 567 63 63 THR CA C 61.4 0.3 1 568 63 63 THR CB C 70.7 0.3 1 569 63 63 THR CG2 C 21.5 0.3 1 570 63 63 THR N N 118.5 0.3 1 571 64 64 PHE H H 9.20 0.02 1 572 64 64 PHE HA H 5.02 0.02 1 573 64 64 PHE HB2 H 3.24 0.02 2 574 64 64 PHE HB3 H 2.81 0.02 2 575 64 64 PHE HD2 H 7.33 0.02 1 576 64 64 PHE HE2 H 7.24 0.02 1 577 64 64 PHE HZ H 7.44 0.02 1 578 64 64 PHE C C 173.3 0.3 1 579 64 64 PHE CA C 56.1 0.3 1 580 64 64 PHE CB C 39.4 0.3 1 581 64 64 PHE CD2 C 132.8 0.3 1 582 64 64 PHE CE2 C 133.4 0.3 1 583 64 64 PHE N N 127.8 0.3 1 584 65 65 ARG H H 9.20 0.02 1 585 65 65 ARG HA H 4.90 0.02 1 586 65 65 ARG HB2 H 1.71 0.02 2 587 65 65 ARG HB3 H 1.41 0.02 2 588 65 65 ARG HD2 H 2.44 0.02 2 589 65 65 ARG HD3 H 2.36 0.02 2 590 65 65 ARG HG2 H 1.43 0.02 2 591 65 65 ARG HG3 H 1.37 0.02 2 592 65 65 ARG C C 173.1 0.3 1 593 65 65 ARG CA C 55.9 0.3 1 594 65 65 ARG CB C 34.0 0.3 1 595 65 65 ARG CD C 40.6 0.3 1 596 65 65 ARG CG C 29.3 0.3 1 597 65 65 ARG N N 127.9 0.3 1 598 66 66 PHE H H 7.87 0.02 1 599 66 66 PHE HA H 4.95 0.02 1 600 66 66 PHE HB2 H 3.05 0.02 2 601 66 66 PHE HB3 H 2.97 0.02 2 602 66 66 PHE HD2 H 7.36 0.02 1 603 66 66 PHE HE2 H 7.57 0.02 1 604 66 66 PHE HZ H 7.02 0.02 1 605 66 66 PHE CA C 56.6 0.3 1 606 66 66 PHE CB C 41.8 0.3 1 607 66 66 PHE CD2 C 132.8 0.3 1 608 66 66 PHE CZ C 128.3 0.3 1 609 66 66 PHE N N 124.6 0.3 1 610 67 67 ALA H H 9.46 0.02 1 611 67 67 ALA HA H 4.08 0.02 1 612 67 67 ALA HB H 1.53 0.02 1 613 67 67 ALA C C 176.5 0.3 1 614 67 67 ALA CA C 54.5 0.3 1 615 67 67 ALA CB C 20.4 0.3 1 616 67 67 ALA N N 129.5 0.3 1 617 68 68 LEU H H 7.07 0.02 1 618 68 68 LEU HA H 4.53 0.02 1 619 68 68 LEU HB2 H 1.64 0.02 2 620 68 68 LEU HB3 H 1.49 0.02 2 621 68 68 LEU HD1 H 0.97 0.02 1 622 68 68 LEU HD2 H 0.90 0.02 1 623 68 68 LEU HG H 1.51 0.02 1 624 68 68 LEU C C 178.5 0.3 1 625 68 68 LEU CA C 52.9 0.3 1 626 68 68 LEU CB C 45.9 0.3 1 627 68 68 LEU CD1 C 24.8 0.3 1 628 68 68 LEU CD2 C 25.3 0.3 1 629 68 68 LEU CG C 27.5 0.3 1 630 68 68 LEU N N 116.1 0.3 1 631 69 69 ARG H H 9.49 0.02 1 632 69 69 ARG HA H 4.16 0.02 1 633 69 69 ARG HB2 H 2.02 0.02 2 634 69 69 ARG HB3 H 1.97 0.02 2 635 69 69 ARG HD2 H 3.41 0.02 2 636 69 69 ARG HD3 H 3.19 0.02 2 637 69 69 ARG HE H 6.28 0.02 1 638 69 69 ARG HG2 H 1.41 0.02 2 639 69 69 ARG HG3 H 0.97 0.02 2 640 69 69 ARG C C 178.5 0.3 1 641 69 69 ARG CA C 61.0 0.3 1 642 69 69 ARG CB C 30.1 0.3 1 643 69 69 ARG CD C 43.4 0.3 1 644 69 69 ARG N N 125.3 0.3 1 645 69 69 ARG NE N 114.5 0.3 1 646 70 70 GLU H H 9.43 0.02 1 647 70 70 GLU HA H 3.84 0.02 1 648 70 70 GLU HB2 H 2.04 0.02 2 649 70 70 GLU HB3 H 1.93 0.02 2 650 70 70 GLU HG2 H 2.32 0.02 2 651 70 70 GLU HG3 H 2.11 0.02 2 652 70 70 GLU C C 177.2 0.3 1 653 70 70 GLU CA C 58.1 0.3 1 654 70 70 GLU CB C 28.9 0.3 1 655 70 70 GLU CG C 36.4 0.3 1 656 70 70 GLU N N 113.9 0.3 1 657 71 71 ASP H H 7.76 0.02 1 658 71 71 ASP HA H 4.62 0.02 1 659 71 71 ASP HB2 H 3.22 0.02 2 660 71 71 ASP HB3 H 3.09 0.02 2 661 71 71 ASP C C 178.3 0.3 1 662 71 71 ASP CA C 56.7 0.3 1 663 71 71 ASP CB C 39.6 0.3 1 664 71 71 ASP N N 120.8 0.3 1 665 72 72 SER H H 7.72 0.02 1 666 72 72 SER HA H 4.85 0.02 1 667 72 72 SER HB2 H 4.07 0.02 2 668 72 72 SER HB3 H 3.87 0.02 2 669 72 72 SER C C 170.8 0.3 1 670 72 72 SER CA C 58.4 0.3 1 671 72 72 SER CB C 62.8 0.3 1 672 72 72 SER N N 119.4 0.3 1 673 73 73 HIS H H 7.23 0.02 1 674 73 73 HIS HA H 5.96 0.02 1 675 73 73 HIS HB2 H 3.30 0.02 2 676 73 73 HIS HB3 H 2.99 0.02 2 677 73 73 HIS HD2 H 6.59 0.02 1 678 73 73 HIS HE1 H 7.63 0.02 1 679 73 73 HIS C C 171.7 0.3 1 680 73 73 HIS CA C 55.7 0.3 1 681 73 73 HIS CB C 33.6 0.3 1 682 73 73 HIS CD2 C 128.9 0.3 1 683 73 73 HIS CE1 C 138.2 0.3 1 684 73 73 HIS N N 121.3 0.3 1 685 74 74 ARG H H 9.55 0.02 1 686 74 74 ARG HA H 5.01 0.02 1 687 74 74 ARG HB2 H 1.91 0.02 2 688 74 74 ARG HB3 H 1.66 0.02 2 689 74 74 ARG HD2 H 3.30 0.02 2 690 74 74 ARG HD3 H 3.02 0.02 2 691 74 74 ARG HG2 H 1.47 0.02 2 692 74 74 ARG HG3 H 1.45 0.02 2 693 74 74 ARG C C 173.7 0.3 1 694 74 74 ARG CA C 54.7 0.3 1 695 74 74 ARG CB C 33.1 0.3 1 696 74 74 ARG CD C 43.0 0.3 1 697 74 74 ARG CG C 26.1 0.3 1 698 74 74 ARG N N 118.5 0.3 1 699 75 75 SER H H 9.51 0.02 1 700 75 75 SER HA H 5.59 0.02 1 701 75 75 SER HB2 H 4.56 0.02 2 702 75 75 SER HB3 H 4.02 0.02 2 703 75 75 SER C C 173.6 0.3 1 704 75 75 SER CA C 56.3 0.3 1 705 75 75 SER CB C 66.5 0.3 1 706 75 75 SER N N 123.2 0.3 1 707 76 76 PRO HA H 4.53 0.02 1 708 76 76 PRO HB2 H 2.58 0.02 2 709 76 76 PRO HB3 H 1.89 0.02 2 710 76 76 PRO HD2 H 4.18 0.02 2 711 76 76 PRO HD3 H 3.84 0.02 2 712 76 76 PRO HG2 H 2.31 0.02 2 713 76 76 PRO HG3 H 2.05 0.02 2 714 76 76 PRO C C 177.1 0.3 1 715 76 76 PRO CA C 65.1 0.3 1 716 76 76 PRO CB C 32.1 0.3 1 717 76 76 PRO CD C 51.5 0.3 1 718 77 77 LEU H H 8.27 0.02 1 719 77 77 LEU HA H 4.44 0.02 1 720 77 77 LEU HB2 H 1.83 0.02 2 721 77 77 LEU HB3 H 1.71 0.02 2 722 77 77 LEU HD1 H 0.96 0.02 1 723 77 77 LEU HD2 H 0.90 0.02 1 724 77 77 LEU HG H 1.51 0.02 1 725 77 77 LEU C C 177.3 0.3 1 726 77 77 LEU CA C 55.2 0.3 1 727 77 77 LEU CB C 42.3 0.3 1 728 77 77 LEU CD1 C 23.7 0.3 1 729 77 77 LEU CD2 C 24.9 0.3 1 730 77 77 LEU CG C 26.9 0.3 1 731 77 77 LEU N N 115.3 0.3 1 732 78 78 GLY H H 7.93 0.02 1 733 78 78 GLY HA2 H 4.17 0.02 2 734 78 78 GLY HA3 H 3.81 0.02 2 735 78 78 GLY C C 170.9 0.3 1 736 78 78 GLY CA C 45.1 0.3 1 737 78 78 GLY N N 108.3 0.3 1 738 79 79 THR H H 7.86 0.02 1 739 79 79 THR HA H 4.35 0.02 1 740 79 79 THR HB H 4.03 0.02 1 741 79 79 THR HG2 H 1.12 0.02 1 742 79 79 THR C C 172.8 0.3 1 743 79 79 THR CA C 60.0 0.3 1 744 79 79 THR CB C 69.2 0.3 1 745 79 79 THR CG2 C 20.4 0.3 1 746 79 79 THR N N 112.4 0.3 1 747 80 80 PHE H H 8.43 0.02 1 748 80 80 PHE HA H 4.47 0.02 1 749 80 80 PHE HB2 H 3.04 0.02 2 750 80 80 PHE HB3 H 1.92 0.02 2 751 80 80 PHE HD2 H 7.00 0.02 1 752 80 80 PHE HE2 H 7.18 0.02 1 753 80 80 PHE HZ H 7.10 0.02 1 754 80 80 PHE C C 176.3 0.3 1 755 80 80 PHE CA C 56.5 0.3 1 756 80 80 PHE CB C 38.2 0.3 1 757 80 80 PHE CE2 C 130.8 0.3 1 758 80 80 PHE CZ C 128.8 0.3 1 759 80 80 PHE N N 127.8 0.3 1 760 81 81 GLY H H 7.97 0.02 1 761 81 81 GLY HA2 H 4.05 0.02 2 762 81 81 GLY HA3 H 3.35 0.02 2 763 81 81 GLY C C 173.6 0.3 1 764 81 81 GLY CA C 45.6 0.3 1 765 81 81 GLY N N 108.8 0.3 1 766 82 82 ASP H H 9.55 0.02 1 767 82 82 ASP HA H 5.10 0.02 1 768 82 82 ASP HB2 H 3.03 0.02 2 769 82 82 ASP HB3 H 2.68 0.02 2 770 82 82 ASP C C 174.8 0.3 1 771 82 82 ASP CA C 54.3 0.3 1 772 82 82 ASP CB C 41.0 0.3 1 773 82 82 ASP N N 126.4 0.3 1 774 83 83 ARG H H 8.49 0.02 1 775 83 83 ARG HA H 5.40 0.02 1 776 83 83 ARG HB2 H 1.73 0.02 2 777 83 83 ARG HB3 H 1.59 0.02 2 778 83 83 ARG HD2 H 3.19 0.02 2 779 83 83 ARG HD3 H 3.02 0.02 2 780 83 83 ARG HG2 H 1.67 0.02 2 781 83 83 ARG HG3 H 1.45 0.02 2 782 83 83 ARG C C 175.3 0.3 1 783 83 83 ARG CA C 53.6 0.3 1 784 83 83 ARG CB C 34.1 0.3 1 785 83 83 ARG CD C 43.5 0.3 1 786 83 83 ARG CG C 27.1 0.3 1 787 83 83 ARG N N 118.4 0.3 1 788 84 84 ILE H H 9.18 0.02 1 789 84 84 ILE HA H 4.57 0.02 1 790 84 84 ILE HB H 1.53 0.02 1 791 84 84 ILE HD1 H 0.45 0.02 1 792 84 84 ILE HG12 H 1.53 0.02 2 793 84 84 ILE HG13 H 1.49 0.02 2 794 84 84 ILE HG2 H 0.21 0.02 1 795 84 84 ILE C C 178.1 0.3 1 796 84 84 ILE CA C 60.7 0.3 1 797 84 84 ILE CB C 38.2 0.3 1 798 84 84 ILE CD1 C 13.3 0.3 1 799 84 84 ILE CG1 C 27.3 0.3 1 800 84 84 ILE CG2 C 17.2 0.3 1 801 84 84 ILE N N 125.2 0.3 1 802 85 85 LEU H H 9.36 0.02 1 803 85 85 LEU HA H 4.17 0.02 1 804 85 85 LEU HB2 H 1.74 0.02 2 805 85 85 LEU HB3 H 1.66 0.02 2 806 85 85 LEU HD1 H 0.87 0.02 1 807 85 85 LEU HD2 H 0.80 0.02 1 808 85 85 LEU HG H 1.61 0.02 1 809 85 85 LEU C C 177.2 0.3 1 810 85 85 LEU CA C 57.7 0.3 1 811 85 85 LEU CB C 41.7 0.3 1 812 85 85 LEU CD1 C 25.1 0.3 1 813 85 85 LEU CD2 C 23.1 0.3 1 814 85 85 LEU CG C 27.4 0.3 1 815 85 85 LEU N N 130.2 0.3 1 816 86 86 ASP H H 8.00 0.02 1 817 86 86 ASP HA H 4.88 0.02 1 818 86 86 ASP HB2 H 2.95 0.02 2 819 86 86 ASP HB3 H 2.40 0.02 2 820 86 86 ASP C C 175.3 0.3 1 821 86 86 ASP CA C 52.4 0.3 1 822 86 86 ASP CB C 40.1 0.3 1 823 86 86 ASP N N 122.1 0.3 1 824 87 87 PHE H H 9.36 0.02 1 825 87 87 PHE HA H 4.23 0.02 1 826 87 87 PHE HB2 H 2.66 0.02 2 827 87 87 PHE HB3 H 2.35 0.02 2 828 87 87 PHE HD2 H 6.55 0.02 1 829 87 87 PHE HE2 H 6.96 0.02 1 830 87 87 PHE HZ H 7.08 0.02 1 831 87 87 PHE C C 174.9 0.3 1 832 87 87 PHE CA C 59.8 0.3 1 833 87 87 PHE CB C 40.2 0.3 1 834 87 87 PHE CD2 C 133.6 0.3 1 835 87 87 PHE CZ C 128.3 0.3 1 836 87 87 PHE N N 123.1 0.3 1 837 88 88 ASP H H 9.08 0.02 1 838 88 88 ASP HA H 5.05 0.02 1 839 88 88 ASP HB2 H 2.87 0.02 2 840 88 88 ASP HB3 H 2.58 0.02 2 841 88 88 ASP CA C 49.0 0.3 1 842 88 88 ASP CB C 40.1 0.3 1 843 88 88 ASP N N 127.6 0.3 1 844 89 89 PRO HA H 3.90 0.02 1 845 89 89 PRO HB2 H 2.25 0.02 2 846 89 89 PRO HB3 H 2.15 0.02 2 847 89 89 PRO HD2 H 4.01 0.02 2 848 89 89 PRO HD3 H 3.66 0.02 2 849 89 89 PRO C C 176.7 0.3 1 850 89 89 PRO CA C 63.8 0.3 1 851 89 89 PRO CB C 32.9 0.3 1 852 89 89 PRO CD C 51.5 0.3 1 853 90 90 SER H H 8.30 0.02 1 854 90 90 SER HA H 4.45 0.02 1 855 90 90 SER HB2 H 4.03 0.02 2 856 90 90 SER HB3 H 3.99 0.02 2 857 90 90 SER C C 174.3 0.3 1 858 90 90 SER CA C 59.7 0.3 1 859 90 90 SER CB C 64.3 0.3 1 860 90 90 SER N N 113.4 0.3 1 861 91 91 GLN H H 7.42 0.02 1 862 91 91 GLN HA H 4.61 0.02 1 863 91 91 GLN HB2 H 1.92 0.02 2 864 91 91 GLN HB3 H 1.73 0.02 2 865 91 91 GLN HE21 H 7.41 0.02 1 866 91 91 GLN HE22 H 6.86 0.02 1 867 91 91 GLN HG2 H 2.25 0.02 2 868 91 91 GLN HG3 H 2.09 0.02 2 869 91 91 GLN C C 174.6 0.3 1 870 91 91 GLN CA C 57.2 0.3 1 871 91 91 GLN CB C 32.6 0.3 1 872 91 91 GLN CG C 33.1 0.3 1 873 91 91 GLN N N 118.4 0.3 1 874 91 91 GLN NE2 N 112.1 0.3 1 875 92 92 ASP H H 8.48 0.02 1 876 92 92 ASP HA H 5.24 0.02 1 877 92 92 ASP HB2 H 3.09 0.02 2 878 92 92 ASP HB3 H 2.29 0.02 2 879 92 92 ASP C C 174.6 0.3 1 880 92 92 ASP CA C 54.0 0.3 1 881 92 92 ASP CB C 44.0 0.3 1 882 92 92 ASP N N 119.5 0.3 1 883 93 93 ARG H H 9.12 0.02 1 884 93 93 ARG HA H 5.69 0.02 1 885 93 93 ARG HB2 H 1.69 0.02 2 886 93 93 ARG HB3 H 1.63 0.02 2 887 93 93 ARG HD2 H 3.08 0.02 2 888 93 93 ARG HD3 H 3.01 0.02 2 889 93 93 ARG HG2 H 1.63 0.02 2 890 93 93 ARG HG3 H 1.52 0.02 2 891 93 93 ARG C C 175.7 0.3 1 892 93 93 ARG CA C 54.5 0.3 1 893 93 93 ARG CB C 34.9 0.3 1 894 93 93 ARG CD C 43.4 0.3 1 895 93 93 ARG CG C 27.3 0.3 1 896 93 93 ARG N N 114.2 0.3 1 897 94 94 ILE H H 9.06 0.02 1 898 94 94 ILE HA H 4.99 0.02 1 899 94 94 ILE HB H 1.82 0.02 1 900 94 94 ILE HD1 H 0.20 0.02 1 901 94 94 ILE HG12 H 1.75 0.02 2 902 94 94 ILE HG13 H 0.84 0.02 2 903 94 94 ILE HG2 H 0.93 0.02 1 904 94 94 ILE C C 174.2 0.3 1 905 94 94 ILE CA C 60.4 0.3 1 906 94 94 ILE CB C 39.4 0.3 1 907 94 94 ILE CD1 C 13.9 0.3 1 908 94 94 ILE CG1 C 28.6 0.3 1 909 94 94 ILE CG2 C 17.6 0.3 1 910 94 94 ILE N N 123.6 0.3 1 911 95 95 ASP H H 9.60 0.02 1 912 95 95 ASP HA H 5.14 0.02 1 913 95 95 ASP HB2 H 2.78 0.02 2 914 95 95 ASP HB3 H 2.22 0.02 2 915 95 95 ASP C C 176.2 0.3 1 916 95 95 ASP CA C 53.6 0.3 1 917 95 95 ASP CB C 41.8 0.3 1 918 95 95 ASP N N 127.2 0.3 1 919 96 96 VAL H H 8.10 0.02 1 920 96 96 VAL HA H 4.85 0.02 1 921 96 96 VAL HB H 2.66 0.02 1 922 96 96 VAL HG1 H 0.77 0.02 1 923 96 96 VAL HG2 H 0.57 0.02 1 924 96 96 VAL C C 177.3 0.3 1 925 96 96 VAL CA C 59.8 0.3 1 926 96 96 VAL CB C 31.2 0.3 1 927 96 96 VAL CG1 C 22.0 0.3 1 928 96 96 VAL CG2 C 19.5 0.3 1 929 96 96 VAL N N 118.7 0.3 1 930 97 97 SER H H 9.04 0.02 1 931 97 97 SER HA H 4.95 0.02 1 932 97 97 SER HB2 H 3.79 0.02 2 933 97 97 SER HB3 H 3.67 0.02 2 934 97 97 SER C C 176.1 0.3 1 935 97 97 SER CA C 56.5 0.3 1 936 97 97 SER CB C 63.5 0.3 1 937 97 97 SER N N 123.9 0.3 1 938 98 98 ALA H H 8.90 0.02 1 939 98 98 ALA HA H 4.48 0.02 1 940 98 98 ALA HB H 1.47 0.02 1 941 98 98 ALA C C 179.1 0.3 1 942 98 98 ALA CA C 53.0 0.3 1 943 98 98 ALA CB C 18.9 0.3 1 944 98 98 ALA N N 125.2 0.3 1 945 99 99 LEU H H 7.97 0.02 1 946 99 99 LEU HA H 4.06 0.02 1 947 99 99 LEU HB2 H 1.83 0.02 2 948 99 99 LEU HB3 H 1.07 0.02 2 949 99 99 LEU HD1 H 0.40 0.02 1 950 99 99 LEU HD2 H 0.38 0.02 1 951 99 99 LEU HG H 1.34 0.02 1 952 99 99 LEU C C 177.2 0.3 1 953 99 99 LEU CA C 54.7 0.3 1 954 99 99 LEU CB C 41.9 0.3 1 955 99 99 LEU CD1 C 27.0 0.3 1 956 99 99 LEU CD2 C 22.5 0.3 1 957 99 99 LEU CG C 26.9 0.3 1 958 99 99 LEU N N 114.9 0.3 1 959 100 100 GLY H H 7.90 0.02 1 960 100 100 GLY HA2 H 3.77 0.02 2 961 100 100 GLY HA3 H 3.66 0.02 2 962 100 100 GLY C C 174.0 0.3 1 963 100 100 GLY CA C 46.4 0.3 1 964 100 100 GLY N N 106.8 0.3 1 965 101 101 PHE H H 7.77 0.02 1 966 101 101 PHE HA H 5.43 0.02 1 967 101 101 PHE HB2 H 3.27 0.02 2 968 101 101 PHE HB3 H 2.92 0.02 2 969 101 101 PHE HD2 H 6.93 0.02 1 970 101 101 PHE HE2 H 7.25 0.02 1 971 101 101 PHE C C 176.0 0.3 1 972 101 101 PHE CA C 56.6 0.3 1 973 101 101 PHE CB C 40.2 0.3 1 974 101 101 PHE CD2 C 130.0 0.3 1 975 101 101 PHE CZ C 129.5 0.3 1 976 101 101 PHE N N 118.7 0.3 1 977 102 102 SER H H 9.32 0.02 1 978 102 102 SER HA H 4.53 0.02 1 979 102 102 SER HB2 H 3.87 0.02 2 980 102 102 SER HB3 H 3.72 0.02 2 981 102 102 SER C C 174.2 0.3 1 982 102 102 SER CA C 58.4 0.3 1 983 102 102 SER CB C 64.4 0.3 1 984 102 102 SER N N 116.2 0.3 1 985 103 103 GLY H H 6.64 0.02 1 986 103 103 GLY HA2 H 3.57 0.02 2 987 103 103 GLY HA3 H 1.70 0.02 2 988 103 103 GLY C C 171.6 0.3 1 989 103 103 GLY CA C 44.1 0.3 1 990 103 103 GLY N N 110.0 0.3 1 991 104 104 LEU H H 8.32 0.02 1 992 104 104 LEU HA H 5.10 0.02 1 993 104 104 LEU HB2 H 1.81 0.02 2 994 104 104 LEU HB3 H 1.62 0.02 2 995 104 104 LEU HD1 H 0.83 0.02 1 996 104 104 LEU HD2 H 0.88 0.02 1 997 104 104 LEU HG H 1.67 0.02 1 998 104 104 LEU C C 178.5 0.3 1 999 104 104 LEU CA C 53.8 0.3 1 1000 104 104 LEU CB C 42.4 0.3 1 1001 104 104 LEU CD1 C 24.3 0.3 1 1002 104 104 LEU CD2 C 23.5 0.3 1 1003 104 104 LEU CG C 27.3 0.3 1 1004 104 104 LEU N N 119.8 0.3 1 1005 105 105 GLY H H 8.99 0.02 1 1006 105 105 GLY HA2 H 4.11 0.02 2 1007 105 105 GLY HA3 H 3.92 0.02 2 1008 105 105 GLY C C 171.9 0.3 1 1009 105 105 GLY CA C 47.1 0.3 1 1010 105 105 GLY N N 112.3 0.3 1 1011 106 106 ASN H H 8.39 0.02 1 1012 106 106 ASN HA H 4.82 0.02 1 1013 106 106 ASN HB2 H 3.45 0.02 2 1014 106 106 ASN HB3 H 3.00 0.02 2 1015 106 106 ASN HD21 H 7.76 0.02 1 1016 106 106 ASN HD22 H 7.12 0.02 1 1017 106 106 ASN C C 176.2 0.3 1 1018 106 106 ASN CA C 52.3 0.3 1 1019 106 106 ASN CB C 38.2 0.3 1 1020 106 106 ASN N N 124.5 0.3 1 1021 106 106 ASN ND2 N 111.0 0.3 1 1022 107 107 GLY H H 8.25 0.02 1 1023 107 107 GLY HA2 H 4.15 0.02 2 1024 107 107 GLY HA3 H 3.69 0.02 2 1025 107 107 GLY C C 172.6 0.3 1 1026 107 107 GLY CA C 46.0 0.3 1 1027 107 107 GLY N N 107.7 0.3 1 1028 108 108 TYR H H 8.00 0.02 1 1029 108 108 TYR HA H 4.87 0.02 1 1030 108 108 TYR HB2 H 3.19 0.02 2 1031 108 108 TYR HB3 H 2.86 0.02 2 1032 108 108 TYR HD2 H 7.02 0.02 1 1033 108 108 TYR HE2 H 6.72 0.02 1 1034 108 108 TYR C C 176.9 0.3 1 1035 108 108 TYR CA C 56.9 0.3 1 1036 108 108 TYR CB C 40.5 0.3 1 1037 108 108 TYR CD2 C 132.7 0.3 1 1038 108 108 TYR CE2 C 118.3 0.3 1 1039 108 108 TYR N N 117.0 0.3 1 1040 109 109 ALA H H 9.75 0.02 1 1041 109 109 ALA HA H 4.21 0.02 1 1042 109 109 ALA HB H 1.50 0.02 1 1043 109 109 ALA C C 177.9 0.3 1 1044 109 109 ALA CA C 53.1 0.3 1 1045 109 109 ALA CB C 17.0 0.3 1 1046 109 109 ALA N N 126.3 0.3 1 1047 110 110 GLY H H 9.46 0.02 1 1048 110 110 GLY HA2 H 4.42 0.02 2 1049 110 110 GLY HA3 H 3.99 0.02 2 1050 110 110 GLY C C 172.9 0.3 1 1051 110 110 GLY CA C 46.1 0.3 1 1052 110 110 GLY N N 108.2 0.3 1 1053 111 111 SER H H 7.83 0.02 1 1054 111 111 SER HA H 5.23 0.02 1 1055 111 111 SER HB2 H 3.94 0.02 2 1056 111 111 SER HB3 H 3.68 0.02 2 1057 111 111 SER C C 173.1 0.3 1 1058 111 111 SER CA C 56.7 0.3 1 1059 111 111 SER CB C 67.5 0.3 1 1060 111 111 SER N N 115.5 0.3 1 1061 112 112 LEU H H 8.23 0.02 1 1062 112 112 LEU HA H 4.62 0.02 1 1063 112 112 LEU HB2 H 1.37 0.02 2 1064 112 112 LEU HB3 H 1.01 0.02 2 1065 112 112 LEU HD1 H 0.53 0.02 1 1066 112 112 LEU HD2 H -0.15 0.02 1 1067 112 112 LEU HG H 1.01 0.02 1 1068 112 112 LEU C C 174.9 0.3 1 1069 112 112 LEU CA C 52.4 0.3 1 1070 112 112 LEU CB C 45.6 0.3 1 1071 112 112 LEU CD1 C 25.2 0.3 1 1072 112 112 LEU CD2 C 23.5 0.3 1 1073 112 112 LEU CG C 25.3 0.3 1 1074 112 112 LEU N N 117.0 0.3 1 1075 113 113 ALA H H 9.17 0.02 1 1076 113 113 ALA HA H 4.96 0.02 1 1077 113 113 ALA HB H 1.15 0.02 1 1078 113 113 ALA C C 177.4 0.3 1 1079 113 113 ALA CA C 50.1 0.3 1 1080 113 113 ALA CB C 20.5 0.3 1 1081 113 113 ALA N N 124.7 0.3 1 1082 114 114 VAL H H 8.69 0.02 1 1083 114 114 VAL HA H 5.17 0.02 1 1084 114 114 VAL HB H 1.98 0.02 1 1085 114 114 VAL HG1 H 1.02 0.02 1 1086 114 114 VAL HG2 H 1.00 0.02 1 1087 114 114 VAL C C 176.0 0.3 1 1088 114 114 VAL CA C 60.6 0.3 1 1089 114 114 VAL CB C 33.8 0.3 1 1090 114 114 VAL CG1 C 22.6 0.3 1 1091 114 114 VAL CG2 C 21.7 0.3 1 1092 114 114 VAL N N 123.4 0.3 1 1093 115 115 SER H H 9.00 0.02 1 1094 115 115 SER HA H 4.90 0.02 1 1095 115 115 SER HB2 H 3.91 0.02 2 1096 115 115 SER HB3 H 3.85 0.02 2 1097 115 115 SER C C 172.1 0.3 1 1098 115 115 SER CA C 56.9 0.3 1 1099 115 115 SER CB C 65.9 0.3 1 1100 115 115 SER N N 121.9 0.3 1 1101 116 116 VAL H H 8.70 0.02 1 1102 116 116 VAL HA H 5.22 0.02 1 1103 116 116 VAL HB H 2.01 0.02 1 1104 116 116 VAL HG1 H 1.16 0.02 1 1105 116 116 VAL HG2 H 1.10 0.02 1 1106 116 116 VAL C C 176.5 0.3 1 1107 116 116 VAL CA C 60.6 0.3 1 1108 116 116 VAL CB C 34.5 0.3 1 1109 116 116 VAL CG1 C 20.8 0.3 1 1110 116 116 VAL CG2 C 21.1 0.3 1 1111 116 116 VAL N N 121.3 0.3 1 1112 117 117 SER H H 9.24 0.02 1 1113 117 117 SER HA H 4.52 0.02 1 1114 117 117 SER HB2 H 4.03 0.02 2 1115 117 117 SER HB3 H 3.99 0.02 2 1116 117 117 SER CA C 58.6 0.3 1 1117 117 117 SER CB C 64.5 0.3 1 1118 117 117 SER N N 122.4 0.3 1 1119 118 118 ASP HA H 4.68 0.02 1 1120 118 118 ASP HB2 H 3.39 0.02 2 1121 118 118 ASP HB3 H 2.80 0.02 2 1122 118 118 ASP CA C 52.3 0.3 1 1123 118 118 ASP CB C 40.8 0.3 1 1124 119 119 ASP HA H 4.57 0.02 1 1125 119 119 ASP HB2 H 3.09 0.02 2 1126 119 119 ASP HB3 H 2.68 0.02 2 1127 119 119 ASP C C 177.3 0.3 1 1128 119 119 ASP CA C 53.0 0.3 1 1129 119 119 ASP CB C 40.4 0.3 1 1130 120 120 GLY H H 8.21 0.02 1 1131 120 120 GLY HA2 H 4.12 0.02 2 1132 120 120 GLY HA3 H 3.68 0.02 2 1133 120 120 GLY C C 174.9 0.3 1 1134 120 120 GLY CA C 45.9 0.3 1 1135 120 120 GLY N N 109.1 0.3 1 1136 121 121 THR H H 7.72 0.02 1 1137 121 121 THR HA H 4.24 0.02 1 1138 121 121 THR HB H 3.92 0.02 1 1139 121 121 THR HG2 H 1.10 0.02 1 1140 121 121 THR C C 174.8 0.3 1 1141 121 121 THR CA C 62.8 0.3 1 1142 121 121 THR CB C 70.9 0.3 1 1143 121 121 THR CG2 C 21.6 0.3 1 1144 121 121 THR N N 107.9 0.3 1 1145 122 122 ARG H H 7.82 0.02 1 1146 122 122 ARG HA H 5.17 0.02 1 1147 122 122 ARG HB2 H 1.51 0.02 2 1148 122 122 ARG HB3 H 1.36 0.02 2 1149 122 122 ARG HD2 H 3.00 0.02 2 1150 122 122 ARG HD3 H 2.89 0.02 2 1151 122 122 ARG HG2 H 1.51 0.02 2 1152 122 122 ARG HG3 H 1.34 0.02 2 1153 122 122 ARG C C 173.9 0.3 1 1154 122 122 ARG CA C 55.4 0.3 1 1155 122 122 ARG CB C 34.9 0.3 1 1156 122 122 ARG CD C 43.6 0.3 1 1157 122 122 ARG CG C 27.5 0.3 1 1158 122 122 ARG N N 122.6 0.3 1 1159 123 123 THR H H 9.24 0.02 1 1160 123 123 THR HA H 5.03 0.02 1 1161 123 123 THR HB H 3.93 0.02 1 1162 123 123 THR HG2 H 1.10 0.02 1 1163 123 123 THR C C 171.8 0.3 1 1164 123 123 THR CA C 61.5 0.3 1 1165 123 123 THR CB C 71.0 0.3 1 1166 123 123 THR CG2 C 22.2 0.3 1 1167 123 123 THR N N 118.6 0.3 1 1168 124 124 TYR H H 9.63 0.02 1 1169 124 124 TYR HA H 5.25 0.02 1 1170 124 124 TYR HB2 H 2.76 0.02 2 1171 124 124 TYR HB3 H 2.51 0.02 2 1172 124 124 TYR HD2 H 6.79 0.02 1 1173 124 124 TYR HE2 H 6.59 0.02 1 1174 124 124 TYR C C 174.4 0.3 1 1175 124 124 TYR CA C 56.5 0.3 1 1176 124 124 TYR CB C 41.3 0.3 1 1177 124 124 TYR CD2 C 133.0 0.3 1 1178 124 124 TYR CE2 C 117.9 0.3 1 1179 124 124 TYR N N 124.7 0.3 1 1180 125 125 LEU H H 8.34 0.02 1 1181 125 125 LEU HA H 5.12 0.02 1 1182 125 125 LEU HB2 H 1.29 0.02 2 1183 125 125 LEU HB3 H 1.24 0.02 2 1184 125 125 LEU HD1 H 0.66 0.02 1 1185 125 125 LEU HD2 H 0.59 0.02 1 1186 125 125 LEU HG H 1.29 0.02 1 1187 125 125 LEU C C 175.7 0.3 1 1188 125 125 LEU CA C 53.7 0.3 1 1189 125 125 LEU CB C 44.2 0.3 1 1190 125 125 LEU CD1 C 25.4 0.3 1 1191 125 125 LEU CD2 C 25.3 0.3 1 1192 125 125 LEU CG C 27.0 0.3 1 1193 125 125 LEU N N 121.7 0.3 1 1194 126 126 LYS H H 8.84 0.02 1 1195 126 126 LYS HA H 4.86 0.02 1 1196 126 126 LYS HB2 H 1.32 0.02 2 1197 126 126 LYS HB3 H 1.29 0.02 2 1198 126 126 LYS HD2 H 1.42 0.02 2 1199 126 126 LYS HD3 H 1.38 0.02 2 1200 126 126 LYS HE2 H 2.41 0.02 2 1201 126 126 LYS HE3 H 2.40 0.02 2 1202 126 126 LYS HG2 H 1.17 0.02 2 1203 126 126 LYS HG3 H 1.04 0.02 2 1204 126 126 LYS C C 174.4 0.3 1 1205 126 126 LYS CA C 55.3 0.3 1 1206 126 126 LYS CB C 37.5 0.3 1 1207 126 126 LYS CD C 29.6 0.3 1 1208 126 126 LYS CE C 41.3 0.3 1 1209 126 126 LYS CG C 24.9 0.3 1 1210 126 126 LYS N N 119.4 0.3 1 1211 127 127 SER H H 8.08 0.02 1 1212 127 127 SER HA H 4.63 0.02 1 1213 127 127 SER HB2 H 3.86 0.02 2 1214 127 127 SER HB3 H 3.77 0.02 2 1215 127 127 SER C C 174.8 0.3 1 1216 127 127 SER CA C 55.8 0.3 1 1217 127 127 SER CB C 65.2 0.3 1 1218 127 127 SER N N 114.3 0.3 1 1219 128 128 TYR H H 9.12 0.02 1 1220 128 128 TYR HA H 4.76 0.02 1 1221 128 128 TYR HB2 H 3.14 0.02 2 1222 128 128 TYR HB3 H 3.11 0.02 2 1223 128 128 TYR HD2 H 6.96 0.02 1 1224 128 128 TYR HE2 H 6.65 0.02 1 1225 128 128 TYR C C 175.5 0.3 1 1226 128 128 TYR CA C 57.3 0.3 1 1227 128 128 TYR CB C 37.3 0.3 1 1228 128 128 TYR CD2 C 132.8 0.3 1 1229 128 128 TYR CE2 C 117.7 0.3 1 1230 128 128 TYR N N 125.8 0.3 1 1231 129 129 GLU H H 8.38 0.02 1 1232 129 129 GLU HA H 4.54 0.02 1 1233 129 129 GLU HB2 H 2.14 0.02 2 1234 129 129 GLU HB3 H 2.05 0.02 2 1235 129 129 GLU HG2 H 2.35 0.02 2 1236 129 129 GLU HG3 H 2.31 0.02 2 1237 129 129 GLU C C 174.5 0.3 1 1238 129 129 GLU CA C 55.9 0.3 1 1239 129 129 GLU CB C 30.5 0.3 1 1240 129 129 GLU CG C 35.7 0.3 1 1241 129 129 GLU N N 122.3 0.3 1 1242 130 130 ALA H H 8.48 0.02 1 1243 130 130 ALA HA H 4.81 0.02 1 1244 130 130 ALA HB H 1.28 0.02 1 1245 130 130 ALA C C 178.0 0.3 1 1246 130 130 ALA CA C 50.4 0.3 1 1247 130 130 ALA CB C 21.0 0.3 1 1248 130 130 ALA N N 128.2 0.3 1 1249 131 131 ASP H H 8.34 0.02 1 1250 131 131 ASP HA H 4.92 0.02 1 1251 131 131 ASP HB2 H 2.80 0.02 2 1252 131 131 ASP HB3 H 2.56 0.02 2 1253 131 131 ASP C C 178.1 0.3 1 1254 131 131 ASP CA C 52.4 0.3 1 1255 131 131 ASP CB C 40.9 0.3 1 1256 131 131 ASP N N 121.9 0.3 1 1257 132 132 ALA H H 8.45 0.02 1 1258 132 132 ALA HA H 4.17 0.02 1 1259 132 132 ALA HB H 1.49 0.02 1 1260 132 132 ALA C C 178.9 0.3 1 1261 132 132 ALA CA C 54.5 0.3 1 1262 132 132 ALA CB C 18.3 0.3 1 1263 132 132 ALA N N 120.2 0.3 1 1264 133 133 GLN H H 8.20 0.02 1 1265 133 133 GLN HA H 4.46 0.02 1 1266 133 133 GLN HB2 H 2.30 0.02 2 1267 133 133 GLN HB3 H 2.17 0.02 2 1268 133 133 GLN HE21 H 7.72 0.02 1 1269 133 133 GLN HE22 H 6.87 0.02 1 1270 133 133 GLN HG2 H 2.40 0.02 2 1271 133 133 GLN HG3 H 2.32 0.02 2 1272 133 133 GLN C C 175.8 0.3 1 1273 133 133 GLN CA C 55.8 0.3 1 1274 133 133 GLN CB C 29.4 0.3 1 1275 133 133 GLN CG C 35.6 0.3 1 1276 133 133 GLN N N 116.7 0.3 1 1277 133 133 GLN NE2 N 112.8 0.3 1 1278 134 134 GLY H H 8.29 0.02 1 1279 134 134 GLY HA2 H 4.18 0.02 2 1280 134 134 GLY HA3 H 3.66 0.02 2 1281 134 134 GLY C C 174.0 0.3 1 1282 134 134 GLY CA C 45.8 0.3 1 1283 134 134 GLY N N 108.8 0.3 1 1284 135 135 LEU H H 8.72 0.02 1 1285 135 135 LEU HA H 5.11 0.02 1 1286 135 135 LEU HB2 H 1.98 0.02 2 1287 135 135 LEU HB3 H 1.07 0.02 2 1288 135 135 LEU HD1 H 0.46 0.02 1 1289 135 135 LEU HD2 H 0.39 0.02 1 1290 135 135 LEU HG H 1.63 0.02 1 1291 135 135 LEU C C 178.3 0.3 1 1292 135 135 LEU CA C 55.0 0.3 1 1293 135 135 LEU CB C 40.9 0.3 1 1294 135 135 LEU CD1 C 22.2 0.3 1 1295 135 135 LEU CD2 C 24.7 0.3 1 1296 135 135 LEU CG C 27.3 0.3 1 1297 135 135 LEU N N 123.4 0.3 1 1298 136 136 SER H H 9.30 0.02 1 1299 136 136 SER HA H 5.03 0.02 1 1300 136 136 SER HB2 H 3.77 0.02 2 1301 136 136 SER HB3 H 3.68 0.02 2 1302 136 136 SER C C 173.0 0.3 1 1303 136 136 SER CA C 56.9 0.3 1 1304 136 136 SER CB C 66.3 0.3 1 1305 136 136 SER N N 119.0 0.3 1 1306 137 137 PHE H H 9.27 0.02 1 1307 137 137 PHE HA H 5.02 0.02 1 1308 137 137 PHE HB2 H 3.28 0.02 2 1309 137 137 PHE HB3 H 2.91 0.02 2 1310 137 137 PHE HD2 H 7.07 0.02 1 1311 137 137 PHE HE2 H 6.93 0.02 1 1312 137 137 PHE HZ H 6.12 0.02 1 1313 137 137 PHE C C 174.3 0.3 1 1314 137 137 PHE CA C 58.9 0.3 1 1315 137 137 PHE CB C 41.6 0.3 1 1316 137 137 PHE CD2 C 133.1 0.3 1 1317 137 137 PHE N N 125.3 0.3 1 1318 138 138 GLU H H 7.81 0.02 1 1319 138 138 GLU HA H 4.61 0.02 1 1320 138 138 GLU HB2 H 1.81 0.02 2 1321 138 138 GLU HB3 H 1.72 0.02 2 1322 138 138 GLU C C 173.0 0.3 1 1323 138 138 GLU CA C 56.0 0.3 1 1324 138 138 GLU CB C 34.0 0.3 1 1325 138 138 GLU N N 125.7 0.3 1 1326 139 139 VAL H H 8.40 0.02 1 1327 139 139 VAL HA H 3.94 0.02 1 1328 139 139 VAL HB H 1.23 0.02 1 1329 139 139 VAL HG1 H 0.48 0.02 1 1330 139 139 VAL HG2 H 0.30 0.02 1 1331 139 139 VAL C C 171.4 0.3 1 1332 139 139 VAL CA C 60.5 0.3 1 1333 139 139 VAL CB C 35.1 0.3 1 1334 139 139 VAL CG1 C 20.8 0.3 1 1335 139 139 VAL CG2 C 22.5 0.3 1 1336 139 139 VAL N N 123.1 0.3 1 1337 140 140 ALA H H 8.18 0.02 1 1338 140 140 ALA HA H 4.96 0.02 1 1339 140 140 ALA HB H 1.07 0.02 1 1340 140 140 ALA C C 175.3 0.3 1 1341 140 140 ALA CA C 50.0 0.3 1 1342 140 140 ALA CB C 22.2 0.3 1 1343 140 140 ALA N N 127.5 0.3 1 1344 141 141 LEU H H 9.62 0.02 1 1345 141 141 LEU HA H 4.92 0.02 1 1346 141 141 LEU HB2 H 1.55 0.02 2 1347 141 141 LEU HB3 H 1.47 0.02 2 1348 141 141 LEU HD1 H 0.38 0.02 1 1349 141 141 LEU HD2 H 0.04 0.02 1 1350 141 141 LEU HG H 1.26 0.02 1 1351 141 141 LEU CA C 53.9 0.3 1 1352 141 141 LEU CB C 43.5 0.3 1 1353 141 141 LEU CD1 C 24.5 0.3 1 1354 141 141 LEU CD2 C 27.3 0.3 1 1355 141 141 LEU CG C 28.6 0.3 1 1356 141 141 LEU N N 122.7 0.3 1 1357 142 142 GLU HA H 4.47 0.02 1 1358 142 142 GLU HB2 H 2.09 0.02 2 1359 142 142 GLU HB3 H 1.99 0.02 2 1360 142 142 GLU HG2 H 2.54 0.02 2 1361 142 142 GLU HG3 H 2.28 0.02 2 1362 142 142 GLU CA C 57.1 0.3 1 1363 142 142 GLU CB C 29.6 0.3 1 1364 142 142 GLU CG C 36.7 0.3 1 1365 143 143 GLY HA2 H 4.26 0.02 2 1366 143 143 GLY HA3 H 3.49 0.02 2 1367 143 143 GLY CA C 43.7 0.3 1 1368 144 144 ASP H H 7.94 0.02 1 1369 144 144 ASP HA H 4.32 0.02 1 1370 144 144 ASP HB2 H 2.70 0.02 2 1371 144 144 ASP HB3 H 2.47 0.02 2 1372 144 144 ASP C C 175.6 0.3 1 1373 144 144 ASP CA C 52.2 0.3 1 1374 144 144 ASP CB C 39.9 0.3 1 1375 144 144 ASP N N 117.7 0.3 1 1376 145 145 HIS H H 8.54 0.02 1 1377 145 145 HIS HA H 4.99 0.02 1 1378 145 145 HIS HB2 H 3.45 0.02 2 1379 145 145 HIS HB3 H 2.19 0.02 2 1380 145 145 HIS HD2 H 6.48 0.02 1 1381 145 145 HIS HE1 H 7.81 0.02 1 1382 145 145 HIS C C 176.8 0.3 1 1383 145 145 HIS CA C 54.3 0.3 1 1384 145 145 HIS CB C 33.6 0.3 1 1385 145 145 HIS CD2 C 117.6 0.3 1 1386 145 145 HIS CE1 C 139.8 0.3 1 1387 145 145 HIS N N 122.4 0.3 1 1388 146 146 ALA H H 7.84 0.02 1 1389 146 146 ALA HA H 3.79 0.02 1 1390 146 146 ALA HB H 1.42 0.02 1 1391 146 146 ALA C C 178.9 0.3 1 1392 146 146 ALA CA C 56.4 0.3 1 1393 146 146 ALA CB C 18.3 0.3 1 1394 146 146 ALA N N 123.8 0.3 1 1395 147 147 ALA H H 8.88 0.02 1 1396 147 147 ALA HA H 4.34 0.02 1 1397 147 147 ALA HB H 1.43 0.02 1 1398 147 147 ALA C C 177.7 0.3 1 1399 147 147 ALA CA C 53.1 0.3 1 1400 147 147 ALA CB C 18.4 0.3 1 1401 147 147 ALA N N 117.6 0.3 1 1402 148 148 ALA H H 7.71 0.02 1 1403 148 148 ALA HA H 4.55 0.02 1 1404 148 148 ALA HB H 1.57 0.02 1 1405 148 148 ALA C C 178.1 0.3 1 1406 148 148 ALA CA C 51.7 0.3 1 1407 148 148 ALA CB C 21.2 0.3 1 1408 148 148 ALA N N 119.7 0.3 1 1409 149 149 LEU H H 7.28 0.02 1 1410 149 149 LEU HA H 5.00 0.02 1 1411 149 149 LEU HB2 H 1.89 0.02 2 1412 149 149 LEU HB3 H 1.38 0.02 2 1413 149 149 LEU HD1 H 0.71 0.02 1 1414 149 149 LEU HD2 H 0.69 0.02 1 1415 149 149 LEU HG H 1.45 0.02 1 1416 149 149 LEU C C 176.0 0.3 1 1417 149 149 LEU CA C 54.8 0.3 1 1418 149 149 LEU CB C 42.2 0.3 1 1419 149 149 LEU CD1 C 27.1 0.3 1 1420 149 149 LEU CD2 C 23.3 0.3 1 1421 149 149 LEU CG C 27.6 0.3 1 1422 149 149 LEU N N 121.7 0.3 1 1423 150 150 SER H H 9.61 0.02 1 1424 150 150 SER HA H 4.77 0.02 1 1425 150 150 SER HB2 H 4.27 0.02 2 1426 150 150 SER HB3 H 4.00 0.02 2 1427 150 150 SER C C 173.2 0.3 1 1428 150 150 SER CA C 57.6 0.3 1 1429 150 150 SER CB C 66.7 0.3 1 1430 150 150 SER N N 119.9 0.3 1 1431 151 151 ALA H H 8.94 0.02 1 1432 151 151 ALA HA H 4.92 0.02 1 1433 151 151 ALA HB H 1.75 0.02 1 1434 151 151 ALA C C 177.0 0.3 1 1435 151 151 ALA CA C 53.6 0.3 1 1436 151 151 ALA CB C 18.3 0.3 1 1437 151 151 ALA N N 120.3 0.3 1 1438 152 152 ASP H H 8.56 0.02 1 1439 152 152 ASP HA H 4.68 0.02 1 1440 152 152 ASP HB2 H 2.73 0.02 2 1441 152 152 ASP HB3 H 2.45 0.02 2 1442 152 152 ASP C C 177.6 0.3 1 1443 152 152 ASP CA C 56.0 0.3 1 1444 152 152 ASP CB C 41.3 0.3 1 1445 152 152 ASP N N 115.9 0.3 1 1446 153 153 ASN H H 7.73 0.02 1 1447 153 153 ASN HA H 4.88 0.02 1 1448 153 153 ASN HB2 H 3.77 0.02 2 1449 153 153 ASN HB3 H 2.92 0.02 2 1450 153 153 ASN HD21 H 7.67 0.02 1 1451 153 153 ASN HD22 H 6.94 0.02 1 1452 153 153 ASN C C 173.2 0.3 1 1453 153 153 ASN CA C 52.6 0.3 1 1454 153 153 ASN CB C 39.1 0.3 1 1455 153 153 ASN N N 114.5 0.3 1 1456 153 153 ASN ND2 N 113.4 0.3 1 1457 154 154 ILE H H 7.73 0.02 1 1458 154 154 ILE HA H 4.83 0.02 1 1459 154 154 ILE HB H 1.38 0.02 1 1460 154 154 ILE HD1 H -0.15 0.02 1 1461 154 154 ILE HG12 H 1.37 0.02 1 1462 154 154 ILE HG2 H 0.77 0.02 1 1463 154 154 ILE C C 174.0 0.3 1 1464 154 154 ILE CA C 60.1 0.3 1 1465 154 154 ILE CB C 39.8 0.3 1 1466 154 154 ILE CD1 C 17.9 0.3 1 1467 154 154 ILE CG2 C 15.8 0.3 1 1468 154 154 ILE N N 120.8 0.3 1 1469 155 155 VAL H H 9.00 0.02 1 1470 155 155 VAL HA H 3.99 0.02 1 1471 155 155 VAL HB H 2.21 0.02 1 1472 155 155 VAL HG1 H 1.07 0.02 1 1473 155 155 VAL HG2 H 0.87 0.02 1 1474 155 155 VAL C C 175.8 0.3 1 1475 155 155 VAL CA C 61.5 0.3 1 1476 155 155 VAL CB C 31.3 0.3 1 1477 155 155 VAL CG1 C 20.6 0.3 1 1478 155 155 VAL CG2 C 19.7 0.3 1 1479 155 155 VAL N N 125.6 0.3 1 1480 156 156 PHE H H 8.52 0.02 1 1481 156 156 PHE HA H 4.42 0.02 1 1482 156 156 PHE HB2 H 3.37 0.02 2 1483 156 156 PHE HB3 H 2.76 0.02 2 1484 156 156 PHE HD2 H 7.25 0.02 1 1485 156 156 PHE HE2 H 6.93 0.02 1 1486 156 156 PHE HZ H 6.84 0.02 1 1487 156 156 PHE C C 175.7 0.3 1 1488 156 156 PHE CA C 59.1 0.3 1 1489 156 156 PHE CB C 40.1 0.3 1 1490 156 156 PHE CD2 C 132.4 0.3 1 1491 156 156 PHE CE2 C 131.0 0.3 1 1492 156 156 PHE N N 124.6 0.3 1 1493 157 157 ALA HA H 4.51 0.02 1 1494 157 157 ALA HB H 1.41 0.02 1 1495 157 157 ALA CA C 52.0 0.3 1 1496 157 157 ALA CB C 20.1 0.3 1 1497 158 158 ALA H H 8.66 0.02 1 1498 158 158 ALA HA H 4.43 0.02 1 1499 158 158 ALA HB H 1.42 0.02 1 1500 158 158 ALA C C 177.9 0.3 1 1501 158 158 ALA CA C 52.1 0.3 1 1502 158 158 ALA CB C 19.5 0.3 1 1503 158 158 ALA N N 125.1 0.3 1 1504 159 159 THR H H 8.31 0.02 1 1505 159 159 THR HA H 4.34 0.02 1 1506 159 159 THR HB H 4.25 0.02 1 1507 159 159 THR HG2 H 1.25 0.02 1 1508 159 159 THR C C 174.2 0.3 1 1509 159 159 THR CA C 61.9 0.3 1 1510 159 159 THR CB C 69.4 0.3 1 1511 159 159 THR CG2 C 21.5 0.3 1 1512 159 159 THR N N 114.4 0.3 1 1513 160 160 ASP H H 8.45 0.02 1 1514 160 160 ASP HA H 4.63 0.02 1 1515 160 160 ASP HB2 H 2.81 0.02 2 1516 160 160 ASP HB3 H 2.64 0.02 2 1517 160 160 ASP CA C 54.1 0.3 1 1518 160 160 ASP CB C 41.2 0.3 1 1519 160 160 ASP N N 123.4 0.3 1 1520 161 161 ALA H H 8.34 0.02 1 1521 161 161 ALA HA H 4.26 0.02 1 1522 161 161 ALA HB H 1.42 0.02 1 1523 161 161 ALA C C 177.9 0.3 1 1524 161 161 ALA CA C 53.0 0.3 1 1525 161 161 ALA CB C 19.1 0.3 1 1526 161 161 ALA N N 125.8 0.3 1 1527 162 162 ALA H H 8.31 0.02 1 1528 162 162 ALA HA H 4.30 0.02 1 1529 162 162 ALA HB H 1.42 0.02 1 1530 162 162 ALA C C 177.9 0.3 1 1531 162 162 ALA CA C 52.9 0.3 1 1532 162 162 ALA CB C 18.9 0.3 1 1533 162 162 ALA N N 123.2 0.3 1 1534 163 163 ALA H H 8.16 0.02 1 1535 163 163 ALA HA H 4.29 0.02 1 1536 163 163 ALA HB H 1.41 0.02 1 1537 163 163 ALA C C 177.8 0.3 1 1538 163 163 ALA CA C 52.8 0.3 1 1539 163 163 ALA CB C 19.2 0.3 1 1540 163 163 ALA N N 123.7 0.3 1 1541 164 164 ALA H H 8.23 0.02 1 1542 164 164 ALA HA H 4.30 0.02 1 1543 164 164 ALA HB H 1.43 0.02 1 1544 164 164 ALA C C 178.4 0.3 1 1545 164 164 ALA CA C 53.0 0.3 1 1546 164 164 ALA CB C 18.9 0.3 1 1547 164 164 ALA N N 123.5 0.3 1 1548 165 165 GLY H H 8.31 0.02 1 1549 165 165 GLY HA2 H 4.01 0.02 2 1550 165 165 GLY HA3 H 3.93 0.02 2 1551 165 165 GLY C C 174.2 0.3 1 1552 165 165 GLY CA C 45.3 0.3 1 1553 165 165 GLY N N 108.3 0.3 1 1554 166 166 GLU H H 8.56 0.02 1 1555 166 166 GLU HA H 4.32 0.02 1 1556 166 166 GLU HB2 H 2.09 0.02 2 1557 166 166 GLU HB3 H 1.99 0.02 2 1558 166 166 GLU HG2 H 2.32 0.02 2 1559 166 166 GLU HG3 H 2.26 0.02 2 1560 166 166 GLU C C 177.2 0.3 1 1561 166 166 GLU CA C 57.0 0.3 1 1562 166 166 GLU CB C 30.2 0.3 1 1563 166 166 GLU CG C 36.3 0.3 1 1564 166 166 GLU N N 121.3 0.3 1 1565 167 167 LEU H H 8.37 0.02 1 1566 167 167 LEU HA H 4.36 0.02 1 1567 167 167 LEU HB2 H 1.71 0.02 2 1568 167 167 LEU HB3 H 1.63 0.02 2 1569 167 167 LEU HD1 H 0.92 0.02 1 1570 167 167 LEU HD2 H 0.84 0.02 1 1571 167 167 LEU HG H 1.74 0.02 1 1572 167 167 LEU C C 177.9 0.3 1 1573 167 167 LEU CA C 55.6 0.3 1 1574 167 167 LEU CB C 42.3 0.3 1 1575 167 167 LEU CD1 C 22.8 0.3 1 1576 167 167 LEU CD2 C 22.2 0.3 1 1577 167 167 LEU CG C 27.4 0.3 1 1578 167 167 LEU N N 123.3 0.3 1 1579 168 168 GLY H H 8.42 0.02 1 1580 168 168 GLY HA2 H 4.02 0.02 2 1581 168 168 GLY HA3 H 3.91 0.02 2 1582 168 168 GLY C C 173.9 0.3 1 1583 168 168 GLY CA C 45.4 0.3 1 1584 168 168 GLY N N 109.9 0.3 1 1585 169 169 VAL H H 8.00 0.02 1 1586 169 169 VAL HA H 4.13 0.02 1 1587 169 169 VAL HB H 2.08 0.02 1 1588 169 169 VAL HG1 H 0.94 0.02 1 1589 169 169 VAL HG2 H 0.92 0.02 1 1590 169 169 VAL C C 176.4 0.3 1 1591 169 169 VAL CA C 62.2 0.3 1 1592 169 169 VAL CB C 32.5 0.3 1 1593 169 169 VAL CG1 C 20.6 0.3 1 1594 169 169 VAL CG2 C 20.1 0.3 1 1595 169 169 VAL N N 120.2 0.3 1 1596 170 170 ILE H H 8.36 0.02 1 1597 170 170 ILE HA H 4.17 0.02 1 1598 170 170 ILE HB H 1.89 0.02 1 1599 170 170 ILE HD1 H 0.87 0.02 1 1600 170 170 ILE HG12 H 1.54 0.02 2 1601 170 170 ILE HG13 H 1.24 0.02 2 1602 170 170 ILE HG2 H 0.94 0.02 1 1603 170 170 ILE C C 176.9 0.3 1 1604 170 170 ILE CA C 61.2 0.3 1 1605 170 170 ILE CB C 38.4 0.3 1 1606 170 170 ILE CD1 C 12.6 0.3 1 1607 170 170 ILE CG1 C 27.4 0.3 1 1608 170 170 ILE CG2 C 17.4 0.3 1 1609 170 170 ILE N N 126.1 0.3 1 1610 171 171 GLY H H 8.55 0.02 1 1611 171 171 GLY HA2 H 4.01 0.02 2 1612 171 171 GLY HA3 H 3.95 0.02 2 1613 171 171 GLY C C 173.9 0.3 1 1614 171 171 GLY CA C 45.2 0.3 1 1615 171 171 GLY N N 114.1 0.3 1 1616 172 172 ALA H H 8.27 0.02 1 1617 172 172 ALA HA H 4.39 0.02 1 1618 172 172 ALA HB H 1.43 0.02 1 1619 172 172 ALA C C 178.0 0.3 1 1620 172 172 ALA CA C 52.5 0.3 1 1621 172 172 ALA CB C 18.9 0.3 1 1622 172 172 ALA N N 124.6 0.3 1 1623 173 173 SER H H 8.48 0.02 1 1624 173 173 SER HA H 4.47 0.02 1 1625 173 173 SER HB2 H 3.98 0.02 2 1626 173 173 SER HB3 H 3.90 0.02 2 1627 173 173 SER C C 175.1 0.3 1 1628 173 173 SER CA C 58.6 0.3 1 1629 173 173 SER CB C 63.7 0.3 1 1630 173 173 SER N N 115.7 0.3 1 1631 174 174 GLY H H 8.46 0.02 1 1632 174 174 GLY HA2 H 4.03 0.02 2 1633 174 174 GLY HA3 H 3.96 0.02 2 1634 174 174 GLY C C 173.8 0.3 1 1635 174 174 GLY CA C 45.2 0.3 1 1636 174 174 GLY N N 111.3 0.3 1 1637 175 175 GLN H H 8.30 0.02 1 1638 175 175 GLN HA H 4.32 0.02 1 1639 175 175 GLN HB2 H 2.07 0.02 2 1640 175 175 GLN HB3 H 1.96 0.02 2 1641 175 175 GLN HE21 H 7.61 0.02 1 1642 175 175 GLN HE22 H 6.92 0.02 1 1643 175 175 GLN HG2 H 2.30 0.02 2 1644 175 175 GLN HG3 H 2.27 0.02 2 1645 175 175 GLN C C 176.7 0.3 1 1646 175 175 GLN CA C 56.7 0.3 1 1647 175 175 GLN CB C 29.0 0.3 1 1648 175 175 GLN CG C 36.1 0.3 1 1649 175 175 GLN N N 121.3 0.3 1 1650 175 175 GLN NE2 N 113.2 0.3 1 1651 176 176 PRO HA H 4.45 0.02 1 1652 176 176 PRO HB2 H 2.32 0.02 2 1653 176 176 PRO HB3 H 1.95 0.02 2 1654 176 176 PRO HD2 H 3.82 0.02 2 1655 176 176 PRO HD3 H 3.70 0.02 2 1656 176 176 PRO HG2 H 2.05 0.02 2 1657 176 176 PRO HG3 H 2.03 0.02 2 1658 176 176 PRO C C 176.6 0.3 1 1659 176 176 PRO CA C 63.5 0.3 1 1660 176 176 PRO CB C 32.1 0.3 1 1661 176 176 PRO CD C 50.6 0.3 1 1662 176 176 PRO CG C 27.3 0.3 1 1663 177 177 ASP H H 8.49 0.02 1 1664 177 177 ASP HA H 4.56 0.02 1 1665 177 177 ASP HB2 H 2.69 0.02 2 1666 177 177 ASP HB3 H 2.58 0.02 2 1667 177 177 ASP C C 175.6 0.3 1 1668 177 177 ASP CA C 54.2 0.3 1 1669 177 177 ASP CB C 41.0 0.3 1 1670 177 177 ASP N N 121.0 0.3 1 1671 178 178 ASP H H 8.21 0.02 1 1672 178 178 ASP HA H 4.91 0.02 1 1673 178 178 ASP HB2 H 2.83 0.02 2 1674 178 178 ASP HB3 H 2.76 0.02 2 1675 178 178 ASP C C 174.6 0.3 1 1676 178 178 ASP CA C 52.1 0.3 1 1677 178 178 ASP CB C 41.4 0.3 1 1678 178 178 ASP N N 122.5 0.3 1 1679 179 179 PRO HA H 4.47 0.02 1 1680 179 179 PRO HB2 H 2.31 0.02 2 1681 179 179 PRO HB3 H 2.05 0.02 2 1682 179 179 PRO HD2 H 3.89 0.02 2 1683 179 179 PRO HD3 H 3.83 0.02 2 1684 179 179 PRO HG2 H 2.07 0.02 2 1685 179 179 PRO HG3 H 2.05 0.02 2 1686 179 179 PRO C C 177.2 0.3 1 1687 179 179 PRO CA C 63.5 0.3 1 1688 179 179 PRO CB C 31.4 0.3 1 1689 179 179 PRO CD C 50.8 0.3 1 1690 179 179 PRO CG C 26.7 0.3 1 1691 180 180 THR H H 8.51 0.02 1 1692 180 180 THR HA H 4.33 0.02 1 1693 180 180 THR HB H 4.24 0.02 1 1694 180 180 THR HG2 H 1.24 0.02 1 1695 180 180 THR C C 173.9 0.3 1 1696 180 180 THR CA C 62.3 0.3 1 1697 180 180 THR CB C 69.9 0.3 1 1698 180 180 THR CG2 C 21.7 0.3 1 1699 180 180 THR N N 115.3 0.3 1 1700 181 181 VAL H H 7.65 0.02 1 1701 181 181 VAL HA H 4.07 0.02 1 1702 181 181 VAL HB H 2.11 0.02 1 1703 181 181 VAL HG1 H 0.95 0.02 1 1704 181 181 VAL HG2 H 0.92 0.02 1 1705 181 181 VAL CA C 63.6 0.3 1 1706 181 181 VAL CB C 33.0 0.3 1 1707 181 181 VAL CG1 C 20.8 0.3 1 1708 181 181 VAL CG2 C 21.3 0.3 1 1709 181 181 VAL N N 126.9 0.3 1 stop_ save_