data_18942 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide ; _BMRB_accession_number 18942 _BMRB_flat_file_name bmr18942.str _Entry_type original _Submission_date 2013-01-07 _Accession_date 2013-01-07 _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 Chin Yanni . . 2 Headey Stephen . . 3 Mohanty Biswaranjan . . 4 McEwan Paul . . 5 Swarbrick James . . 6 Mulhern Terrence . . 7 Emsley Jonas . . 8 Simpson Jamie . . 9 Scanlon Martin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 968 "13C chemical shifts" 740 "15N chemical shifts" 189 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-17 update BMRB 'update entry citation' 2013-11-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18020 'Entry contains the chemical shifts of the apo state of integrin alpha1I-domain' 18021 'Entry contains the chemical shifts of the Mg2+-bound state of integrin alpha1I-domain (no collagen ligand)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure of integrin 1I domain in complex with a collagen-mimetic peptide.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24187131 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chin 'Yanni K-Y' . . 2 Headey Stephen J. . 3 Mohanty Biswaranjan . . 4 Patil Rahul . . 5 McEwan Paul A. . 6 Swarbrick James D. . 7 Mulhern Terrence D. . 8 Emsley Jonas . . 9 Simpson Jamie S. . 10 Scanlon Martin J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 288 _Journal_issue 52 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 36796 _Page_last 36809 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'alpha-1 integrin I-domain' $entity_1 'GLOGEN triple helical peptide, 1' $entity_2 'GLOGEN triple helical peptide, 2' $entity_2 'GLOGEN triple helical peptide, 3' $entity_2 MG2 $entity_MG stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 21513.508 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 192 _Mol_residue_sequence ; STQLDIVIVLDGSNSIYPWD SVTAFLNDLLERMDIGPKQT QVGIVQYGENVTHEFNLNKY SSTEEVLVAAKKIVQRGGRQ TMTALGIDTARKEAFTEARG ARRGVKKVMVIVTDGESHDN HRLKKVIQDCEDENIQRFSI AILGSYNRGNLSTEKFVEEI KSIASEPTEKHFFNVSDELA LVTIVKTLGERI ; loop_ _Residue_seq_code _Residue_label 1 SER 2 THR 3 GLN 4 LEU 5 ASP 6 ILE 7 VAL 8 ILE 9 VAL 10 LEU 11 ASP 12 GLY 13 SER 14 ASN 15 SER 16 ILE 17 TYR 18 PRO 19 TRP 20 ASP 21 SER 22 VAL 23 THR 24 ALA 25 PHE 26 LEU 27 ASN 28 ASP 29 LEU 30 LEU 31 GLU 32 ARG 33 MET 34 ASP 35 ILE 36 GLY 37 PRO 38 LYS 39 GLN 40 THR 41 GLN 42 VAL 43 GLY 44 ILE 45 VAL 46 GLN 47 TYR 48 GLY 49 GLU 50 ASN 51 VAL 52 THR 53 HIS 54 GLU 55 PHE 56 ASN 57 LEU 58 ASN 59 LYS 60 TYR 61 SER 62 SER 63 THR 64 GLU 65 GLU 66 VAL 67 LEU 68 VAL 69 ALA 70 ALA 71 LYS 72 LYS 73 ILE 74 VAL 75 GLN 76 ARG 77 GLY 78 GLY 79 ARG 80 GLN 81 THR 82 MET 83 THR 84 ALA 85 LEU 86 GLY 87 ILE 88 ASP 89 THR 90 ALA 91 ARG 92 LYS 93 GLU 94 ALA 95 PHE 96 THR 97 GLU 98 ALA 99 ARG 100 GLY 101 ALA 102 ARG 103 ARG 104 GLY 105 VAL 106 LYS 107 LYS 108 VAL 109 MET 110 VAL 111 ILE 112 VAL 113 THR 114 ASP 115 GLY 116 GLU 117 SER 118 HIS 119 ASP 120 ASN 121 HIS 122 ARG 123 LEU 124 LYS 125 LYS 126 VAL 127 ILE 128 GLN 129 ASP 130 CYS 131 GLU 132 ASP 133 GLU 134 ASN 135 ILE 136 GLN 137 ARG 138 PHE 139 SER 140 ILE 141 ALA 142 ILE 143 LEU 144 GLY 145 SER 146 TYR 147 ASN 148 ARG 149 GLY 150 ASN 151 LEU 152 SER 153 THR 154 GLU 155 LYS 156 PHE 157 VAL 158 GLU 159 GLU 160 ILE 161 LYS 162 SER 163 ILE 164 ALA 165 SER 166 GLU 167 PRO 168 THR 169 GLU 170 LYS 171 HIS 172 PHE 173 PHE 174 ASN 175 VAL 176 SER 177 ASP 178 GLU 179 LEU 180 ALA 181 LEU 182 VAL 183 THR 184 ILE 185 VAL 186 LYS 187 THR 188 LEU 189 GLY 190 GLU 191 ARG 192 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18020 Integrin_Alpha1_I-domain 100.00 192 100.00 100.00 3.99e-137 BMRB 18021 Integrin_Alpha1_I-domain 100.00 192 100.00 100.00 3.99e-137 PDB 1PT6 "I Domain From Human Integrin Alpha1-beta1" 100.00 213 98.96 99.48 1.09e-135 PDB 1QC5 "I Domain From Integrin Alpha1-beta1" 100.00 192 99.48 100.00 1.34e-136 PDB 1QCY "The Crystal Structure Of The I-domain Of Human Integrin Alpha1beta1" 99.48 193 98.43 98.95 5.05e-134 PDB 2M32 "Alpha-1 Integrin I-domain In Complex With Glogen Triple Helical Peptide" 100.00 192 100.00 100.00 3.99e-137 PDB 4A0Q "Activated Conformation Of Integrin Alpha1 I-Domain Mutant" 100.00 201 98.96 98.96 7.80e-136 DBJ BAG62150 "unnamed protein product [Homo sapiens]" 100.00 1173 100.00 100.00 1.13e-125 GB AAI37122 "Integrin, alpha 1 [Homo sapiens]" 100.00 1179 100.00 100.00 1.19e-125 GB AAI37123 "Integrin, alpha 1 [Homo sapiens]" 100.00 1179 100.00 100.00 1.19e-125 GB EAW54866 "hCG2002731, isoform CRA_c [Homo sapiens]" 100.00 766 100.00 100.00 2.61e-129 GB EAW54867 "hCG2002731, isoform CRA_d [Homo sapiens]" 100.00 768 100.00 100.00 3.37e-129 GB EAW54868 "hCG2002731, isoform CRA_e [Homo sapiens]" 100.00 1177 100.00 100.00 1.02e-125 REF NP_852478 "integrin alpha-1 precursor [Homo sapiens]" 100.00 1179 100.00 100.00 1.19e-125 REF XP_001094788 "PREDICTED: integrin alpha-1 [Macaca mulatta]" 100.00 1179 100.00 100.00 1.57e-125 REF XP_002815595 "PREDICTED: integrin alpha-1 [Pongo abelii]" 100.00 1179 99.48 100.00 7.68e-125 REF XP_003276564 "PREDICTED: integrin alpha-1 [Nomascus leucogenys]" 100.00 1179 99.48 100.00 5.73e-125 REF XP_003827398 "PREDICTED: integrin alpha-1 [Pan paniscus]" 100.00 1179 100.00 100.00 1.22e-125 SP P56199 "RecName: Full=Integrin alpha-1; AltName: Full=CD49 antigen-like family member A; AltName: Full=Laminin and collagen receptor; A" 100.00 1179 100.00 100.00 1.19e-125 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1936.040 _Mol_thiol_state 'not present' _Details . _Residue_count 23 _Mol_residue_sequence ; XGPXGPXGLXGENGPXGPXG PXX ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 ACE 2 1 GLY 3 2 PRO 4 3 HYP 5 4 GLY 6 5 PRO 7 6 HYP 8 7 GLY 9 8 LEU 10 9 HYP 11 10 GLY 12 11 GLU 13 12 ASN 14 13 GLY 15 14 PRO 16 15 HYP 17 16 GLY 18 17 PRO 19 18 HYP 20 19 GLY 21 20 PRO 22 21 HYP 23 22 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_ACE _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'ACETYL GROUP' _BMRB_code ACE _PDB_code ACE _Standard_residue_derivative . _Molecular_mass 44.053 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? O O O . 0 . ? CH3 CH3 C . 0 . ? H H H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C O ? ? SING C CH3 ? ? SING C H ? ? SING CH3 H1 ? ? SING CH3 H2 ? ? SING CH3 H3 ? ? stop_ save_ save_chem_comp_HYP _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common 4-HYDROXYPROLINE _BMRB_code HYP _PDB_code HYP _Standard_residue_derivative . _Molecular_mass 131.130 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? OD1 OD1 O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG HG H . 0 . ? HD22 HD22 H . 0 . ? HD23 HD23 H . 0 . ? HD1 HD1 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N CD ? ? SING N H ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG OD1 ? ? SING CG HG ? ? SING CD HD22 ? ? SING CD HD23 ? ? SING OD1 HD1 ? ? SING OXT HXT ? ? stop_ save_ save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'AMINO GROUP' _BMRB_code NH2 _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N HN1 ? ? SING N HN2 ? ? stop_ save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_MG (MAGNESIUM ION)" _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 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 _Details $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'I-domain of integrin 1' $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 'GLOGEN trimeric peptide as a mimetic for type III collagen' 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 _Details $entity_1 'recombinant technology' . . . . pET28a+ 'alpha-1 integrin I-domain' $entity_2 'chemical synthesis' . . . . . 'GLOGEN peptide' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 7.4' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-98% 13C; U-98% 15N]' $entity_2 2.4 mM 'natural abundance' HEPES 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bio21_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_IMB_900 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HNCO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha-1 integrin I-domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 SER C C 174.407 0.2 1 2 1 1 SER CA C 58.82 0.2 1 3 1 1 SER CB C 63.981 0.2 1 4 2 2 THR H H 8.002 0.02 1 5 2 2 THR HA H 4.274 0.02 1 6 2 2 THR HB H 4.082 0.02 1 7 2 2 THR HG2 H 1.155 0.02 1 8 2 2 THR C C 174.211 0.2 1 9 2 2 THR CA C 61.939 0.2 1 10 2 2 THR CB C 70.018 0.2 1 11 2 2 THR CG2 C 21.854 0.2 1 12 2 2 THR N N 116.388 0.2 1 13 3 3 GLN H H 8.225 0.02 1 14 3 3 GLN HA H 4.207 0.02 1 15 3 3 GLN HB2 H 1.756 0.02 2 16 3 3 GLN HB3 H 1.756 0.02 2 17 3 3 GLN HG2 H 2.146 0.02 2 18 3 3 GLN HG3 H 2.332 0.02 2 19 3 3 GLN HE21 H 6.658 0.02 2 20 3 3 GLN HE22 H 7.033 0.02 2 21 3 3 GLN C C 174.443 0.2 1 22 3 3 GLN CA C 56.56 0.2 1 23 3 3 GLN CB C 30.049 0.2 1 24 3 3 GLN CG C 34.793 0.2 1 25 3 3 GLN N N 123.724 0.2 1 26 3 3 GLN NE2 N 109.87 0.2 1 27 4 4 LEU H H 6.832 0.02 1 28 4 4 LEU HA H 4.834 0.02 1 29 4 4 LEU HB2 H 1.171 0.02 2 30 4 4 LEU HB3 H 1.738 0.02 2 31 4 4 LEU HG H 1.519 0.02 1 32 4 4 LEU HD1 H 0.856 0.02 2 33 4 4 LEU HD2 H 0.841 0.02 1 34 4 4 LEU C C 174.867 0.2 1 35 4 4 LEU CA C 54.5 0.2 1 36 4 4 LEU CB C 47.427 0.2 1 37 4 4 LEU CG C 26.805 0.2 1 38 4 4 LEU CD1 C 27.54 0.2 2 39 4 4 LEU CD2 C 24.894 0.2 2 40 4 4 LEU N N 121.861 0.2 1 41 5 5 ASP H H 8.76 0.02 1 42 5 5 ASP HA H 5.213 0.02 1 43 5 5 ASP HB2 H 2.574 0.02 2 44 5 5 ASP C C 173.417 0.2 1 45 5 5 ASP CA C 54.607 0.2 1 46 5 5 ASP CB C 42.393 0.2 1 47 5 5 ASP N N 126.856 0.2 1 48 6 6 ILE H H 8.897 0.02 1 49 6 6 ILE HA H 5.065 0.02 1 50 6 6 ILE HB H 1.925 0.02 1 51 6 6 ILE HG12 H 1.64 0.02 1 52 6 6 ILE HG13 H 1.64 0.02 1 53 6 6 ILE HG2 H 0.57 0.02 1 54 6 6 ILE HD1 H 0.61 0.02 1 55 6 6 ILE CA C 60.118 0.2 1 56 6 6 ILE CB C 39.794 0.2 1 57 6 6 ILE CG1 C 27.181 0.2 1 58 6 6 ILE CG2 C 16.363 0.2 1 59 6 6 ILE CD1 C 14.676 0.2 1 60 6 6 ILE N N 123.409 0.2 1 61 7 7 VAL H H 9.009 0.02 1 62 7 7 VAL HA H 4.708 0.02 1 63 7 7 VAL HB H 1.488 0.02 1 64 7 7 VAL HG1 H -0.139 0.02 2 65 7 7 VAL HG2 H 0.413 0.02 2 66 7 7 VAL CA C 60.066 0.2 1 67 7 7 VAL CB C 34.162 0.2 1 68 7 7 VAL CG1 C 22.145 0.2 2 69 7 7 VAL CG2 C 20.998 0.2 2 70 7 7 VAL N N 125.899 0.2 1 71 8 8 ILE H H 8.758 0.02 1 72 8 8 ILE HA H 4.695 0.02 1 73 8 8 ILE HB H 1.826 0.02 1 74 8 8 ILE HG12 H 1.496 0.02 2 75 8 8 ILE HG13 H 1.515 0.02 2 76 8 8 ILE HG2 H 0.764 0.02 1 77 8 8 ILE HD1 H 0.586 0.02 1 78 8 8 ILE CA C 59.841 0.2 1 79 8 8 ILE CB C 38.016 0.2 1 80 8 8 ILE CG1 C 28.094 0.2 1 81 8 8 ILE CG2 C 17.436 0.2 1 82 8 8 ILE CD1 C 13.705 0.2 1 83 8 8 ILE N N 128.781 0.2 1 84 9 9 VAL H H 9.713 0.02 1 85 9 9 VAL HA H 4.47 0.02 1 86 9 9 VAL HB H 2.118 0.02 1 87 9 9 VAL HG1 H 0.722 0.02 2 88 9 9 VAL HG2 H 0.722 0.02 2 89 9 9 VAL C C 173.949 0.2 1 90 9 9 VAL CA C 61.475 0.2 1 91 9 9 VAL CB C 32.396 0.2 1 92 9 9 VAL CG1 C 21.38 0.2 2 93 9 9 VAL CG2 C 21.381 0.2 2 94 9 9 VAL N N 130.125 0.2 1 95 10 10 LEU H H 9.261 0.02 1 96 10 10 LEU HA H 4.521 0.02 1 97 10 10 LEU HB2 H 1.434 0.02 2 98 10 10 LEU HB3 H 1.75 0.02 2 99 10 10 LEU HG H 1.616 0.02 1 100 10 10 LEU HD1 H 0.617 0.02 1 101 10 10 LEU HD2 H 0.754 0.02 1 102 10 10 LEU C C 174.175 0.2 1 103 10 10 LEU CA C 53.726 0.2 1 104 10 10 LEU CB C 44.609 0.2 1 105 10 10 LEU CG C 26.294 0.2 1 106 10 10 LEU CD1 C 23.551 0.2 2 107 10 10 LEU CD2 C 26.288 0.2 2 108 10 10 LEU N N 124.673 0.2 1 109 11 11 ASP H H 7.867 0.02 1 110 11 11 ASP HA H 3.148 0.02 1 111 11 11 ASP C C 174.405 0.2 1 112 11 11 ASP CA C 53.553 0.2 1 113 11 11 ASP CB C 41.59 0.2 1 114 11 11 ASP N N 126.253 0.2 1 115 12 12 GLY H H 8.825 0.02 1 116 12 12 GLY HA2 H 4.229 0.02 2 117 12 12 GLY HA3 H 4.229 0.02 2 118 12 12 GLY C C 176.01 0.2 1 119 12 12 GLY CA C 44.714 0.2 1 120 12 12 GLY N N 114.504 0.2 1 121 13 13 SER H H 8.668 0.02 1 122 13 13 SER HA H 3.638 0.02 1 123 13 13 SER HB2 H 3.962 0.02 2 124 13 13 SER HB3 H 3.962 0.02 2 125 13 13 SER C C 173.728 0.2 1 126 13 13 SER CA C 58.607 0.2 1 127 13 13 SER CB C 64.366 0.2 1 128 13 13 SER N N 115.328 0.2 1 129 14 14 ASN H H 8.8 0.02 1 130 14 14 ASN HA H 4.103 0.02 1 131 14 14 ASN HB2 H 2.684 0.02 2 132 14 14 ASN HB3 H 2.828 0.02 2 133 14 14 ASN C C 175.323 0.2 1 134 14 14 ASN CA C 55.132 0.2 1 135 14 14 ASN CB C 37.735 0.2 1 136 14 14 ASN N N 118.042 0.2 1 137 15 15 SER H H 8.949 0.02 1 138 15 15 SER HA H 3.851 0.02 1 139 15 15 SER HB2 H 3.859 0.02 2 140 15 15 SER HB3 H 3.859 0.02 2 141 15 15 SER C C 175.252 0.2 1 142 15 15 SER CA C 60.352 0.2 1 143 15 15 SER CB C 62.281 0.2 1 144 15 15 SER N N 110.76 0.2 1 145 16 16 ILE H H 7.463 0.02 1 146 16 16 ILE HA H 4.094 0.02 1 147 16 16 ILE HB H 2.234 0.02 1 148 16 16 ILE HG2 H 0.933 0.02 1 149 16 16 ILE HD1 H 0.564 0.02 1 150 16 16 ILE C C 175.772 0.2 1 151 16 16 ILE CA C 59.419 0.2 1 152 16 16 ILE CB C 34.858 0.2 1 153 16 16 ILE CG2 C 16.42 0.2 1 154 16 16 ILE CD1 C 9.643 0.2 1 155 16 16 ILE N N 126.875 0.2 1 156 17 17 TYR H H 8.097 0.02 1 157 17 17 TYR CA C 55.534 0.2 1 158 17 17 TYR CB C 42.633 0.2 1 159 17 17 TYR N N 126.068 0.2 1 160 18 18 PRO HA H 4.053 0.02 1 161 18 18 PRO HB2 H 1.89 0.02 2 162 18 18 PRO HB3 H 1.144 0.02 2 163 18 18 PRO HD2 H 3.497 0.02 2 164 18 18 PRO HD3 H 3.497 0.02 2 165 18 18 PRO C C 177.356 0.2 1 166 18 18 PRO CA C 62.705 0.2 1 167 18 18 PRO CB C 32.97 0.2 1 168 18 18 PRO CD C 49.833 0.2 1 169 19 19 TRP H H 9.064 0.02 1 170 19 19 TRP HA H 4.187 0.02 1 171 19 19 TRP HB2 H 3.104 0.02 2 172 19 19 TRP HB3 H 3.458 0.02 2 173 19 19 TRP HD1 H 7.069 0.02 1 174 19 19 TRP HE1 H 9.169 0.02 1 175 19 19 TRP HE3 H 7.107 0.02 1 176 19 19 TRP HZ2 H 6.795 0.02 1 177 19 19 TRP HZ3 H 7.543 0.02 1 178 19 19 TRP HH2 H 6.592 0.02 1 179 19 19 TRP C C 177.067 0.2 1 180 19 19 TRP CA C 59.646 0.2 1 181 19 19 TRP CB C 29.69 0.2 1 182 19 19 TRP CD1 C 126.833 0.2 1 183 19 19 TRP CE3 C 119.72 0.2 1 184 19 19 TRP CZ2 C 112.905 0.2 1 185 19 19 TRP CZ3 C 122.309 0.2 1 186 19 19 TRP CH2 C 124.08 0.2 1 187 19 19 TRP N N 126.697 0.2 1 188 19 19 TRP NE1 N 125.65 0.2 1 189 20 20 ASP H H 8.476 0.02 1 190 20 20 ASP HA H 4.291 0.02 1 191 20 20 ASP HB2 H 2.412 0.02 2 192 20 20 ASP HB3 H 2.54 0.02 2 193 20 20 ASP C C 178.681 0.2 1 194 20 20 ASP CA C 56.214 0.2 1 195 20 20 ASP CB C 40.384 0.2 1 196 20 20 ASP N N 113.559 0.2 1 197 21 21 SER H H 7.436 0.02 1 198 21 21 SER HA H 4.148 0.02 1 199 21 21 SER HB2 H 3.651 0.02 2 200 21 21 SER HB3 H 3.759 0.02 2 201 21 21 SER C C 176.264 0.2 1 202 21 21 SER CA C 61.853 0.2 1 203 21 21 SER CB C 63.207 0.2 1 204 21 21 SER N N 114.384 0.2 1 205 22 22 VAL H H 7.13 0.02 1 206 22 22 VAL HA H 3.066 0.02 1 207 22 22 VAL HB H 1.201 0.02 1 208 22 22 VAL HG1 H 0.42 0.02 2 209 22 22 VAL HG2 H 0.025 0.02 2 210 22 22 VAL C C 177.581 0.2 1 211 22 22 VAL CA C 66.778 0.2 1 212 22 22 VAL CB C 30.884 0.2 1 213 22 22 VAL CG1 C 22.127 0.2 2 214 22 22 VAL CG2 C 21.169 0.2 2 215 22 22 VAL N N 124.056 0.2 1 216 23 23 THR H H 7.637 0.02 1 217 23 23 THR HA H 3.447 0.02 1 218 23 23 THR HB H 3.995 0.02 1 219 23 23 THR HG2 H 0.944 0.02 1 220 23 23 THR C C 177.587 0.2 1 221 23 23 THR CA C 66.08 0.2 1 222 23 23 THR CB C 68.089 0.2 1 223 23 23 THR CG2 C 22.472 0.2 1 224 23 23 THR N N 110.945 0.2 1 225 24 24 ALA H H 7.768 0.02 1 226 24 24 ALA HA H 3.969 0.02 1 227 24 24 ALA HB H 1.35 0.02 1 228 24 24 ALA C C 178.927 0.2 1 229 24 24 ALA CA C 55.464 0.2 1 230 24 24 ALA CB C 18.491 0.2 1 231 24 24 ALA N N 124.377 0.2 1 232 25 25 PHE H H 7.064 0.02 1 233 25 25 PHE HA H 4.1 0.02 1 234 25 25 PHE HB2 H 2.897 0.02 2 235 25 25 PHE HB3 H 3.039 0.02 2 236 25 25 PHE HD1 H 6.989 0.02 3 237 25 25 PHE HD2 H 6.989 0.02 3 238 25 25 PHE HE1 H 6.724 0.02 3 239 25 25 PHE HE2 H 6.724 0.02 3 240 25 25 PHE CA C 61.317 0.2 1 241 25 25 PHE CB C 38.938 0.2 1 242 25 25 PHE CD1 C 132.073 0.2 3 243 25 25 PHE CD2 C 132.07 0.2 3 244 25 25 PHE CE1 C 129.781 0.2 3 245 25 25 PHE CE2 C 129.78 0.2 3 246 25 25 PHE N N 118.992 0.2 1 247 26 26 LEU H H 8.016 0.02 1 248 26 26 LEU HA H 3.399 0.02 1 249 26 26 LEU HB2 H 1.72 0.02 2 250 26 26 LEU HB3 H 1.144 0.02 2 251 26 26 LEU HG H 1.794 0.02 1 252 26 26 LEU HD1 H 0.734 0.02 2 253 26 26 LEU HD2 H 0.718 0.02 2 254 26 26 LEU CA C 57.703 0.2 1 255 26 26 LEU CB C 42.305 0.2 1 256 26 26 LEU CG C 26.285 0.2 1 257 26 26 LEU CD1 C 23.868 0.2 2 258 26 26 LEU CD2 C 25.7 0.2 2 259 26 26 LEU N N 116.171 0.2 1 260 27 27 ASN H H 7.842 0.02 1 261 27 27 ASN HA H 3.861 0.02 1 262 27 27 ASN HB2 H 2.726 0.02 2 263 27 27 ASN HB3 H 2.42 0.02 2 264 27 27 ASN HD21 H 6.47 0.02 2 265 27 27 ASN HD22 H 7.395 0.02 2 266 27 27 ASN CA C 57.523 0.2 1 267 27 27 ASN CB C 40.709 0.2 1 268 27 27 ASN N N 115.679 0.2 1 269 27 27 ASN ND2 N 113.169 0.2 1 270 28 28 ASP H H 7.802 0.02 1 271 28 28 ASP HA H 3.987 0.02 1 272 28 28 ASP HB2 H 2.44 0.02 2 273 28 28 ASP HB3 H 2.388 0.02 2 274 28 28 ASP CA C 56.609 0.2 1 275 28 28 ASP CB C 40.438 0.2 1 276 28 28 ASP N N 117.819 0.2 1 277 29 29 LEU H H 7.97 0.02 1 278 29 29 LEU HA H 3.571 0.02 1 279 29 29 LEU HB2 H 0.533 0.02 2 280 29 29 LEU HB3 H 1.258 0.02 2 281 29 29 LEU HG H 1.011 0.02 1 282 29 29 LEU HD1 H 0.395 0.02 2 283 29 29 LEU HD2 H 0.414 0.02 2 284 29 29 LEU CA C 57.824 0.2 1 285 29 29 LEU CB C 42.013 0.2 1 286 29 29 LEU CG C 27.085 0.2 1 287 29 29 LEU CD1 C 22.96 0.2 2 288 29 29 LEU CD2 C 25.544 0.2 2 289 29 29 LEU N N 119.15 0.2 1 290 30 30 LEU H H 8 0.02 1 291 30 30 LEU HA H 3.711 0.02 1 292 30 30 LEU HB2 H 1.75 0.02 2 293 30 30 LEU HB3 H 0.925 0.02 2 294 30 30 LEU HD1 H 0.685 0.02 2 295 30 30 LEU HD2 H 0.685 0.02 2 296 30 30 LEU C C 178.917 0.2 1 297 30 30 LEU CA C 57.693 0.2 1 298 30 30 LEU CB C 41.544 0.2 1 299 30 30 LEU CD1 C 23.63 0.2 2 300 30 30 LEU CD2 C 23.626 0.2 2 301 30 30 LEU N N 115.701 0.2 1 302 31 31 GLU H H 7.88 0.02 1 303 31 31 GLU HA H 3.771 0.02 1 304 31 31 GLU HB2 H 1.999 0.02 2 305 31 31 GLU HB3 H 1.872 0.02 2 306 31 31 GLU HG2 H 2.166 0.02 2 307 31 31 GLU HG3 H 2.319 0.02 2 308 31 31 GLU C C 177.554 0.2 1 309 31 31 GLU CA C 58.445 0.2 1 310 31 31 GLU CB C 29.424 0.2 1 311 31 31 GLU CG C 36.565 0.2 1 312 31 31 GLU N N 114.625 0.2 1 313 32 32 ARG H H 7.014 0.02 1 314 32 32 ARG HA H 4.143 0.02 1 315 32 32 ARG HB2 H 1.932 0.02 2 316 32 32 ARG HB3 H 1.615 0.02 2 317 32 32 ARG HG2 H 1.547 0.02 2 318 32 32 ARG HG3 H 1.653 0.02 2 319 32 32 ARG HD2 H 2.887 0.02 2 320 32 32 ARG HD3 H 2.954 0.02 2 321 32 32 ARG C C 175.851 0.2 1 322 32 32 ARG CA C 55.549 0.2 1 323 32 32 ARG CB C 30.586 0.2 1 324 32 32 ARG CG C 27.934 0.2 1 325 32 32 ARG CD C 43.561 0.2 1 326 32 32 ARG N N 115.39 0.2 1 327 33 33 MET H H 7.528 0.02 1 328 33 33 MET HA H 4.465 0.02 1 329 33 33 MET HB2 H 2.057 0.02 2 330 33 33 MET HB3 H 1.482 0.02 2 331 33 33 MET HG2 H 2.461 0.02 2 332 33 33 MET HG3 H 2.35 0.02 2 333 33 33 MET HE H 1.59 0.02 1 334 33 33 MET C C 174.809 0.2 1 335 33 33 MET CA C 54.694 0.2 1 336 33 33 MET CB C 35.436 0.2 1 337 33 33 MET CG C 33.292 0.2 1 338 33 33 MET CE C 18.091 0.2 1 339 33 33 MET N N 117.773 0.2 1 340 34 34 ASP H H 8.784 0.02 1 341 34 34 ASP HA H 4.625 0.02 1 342 34 34 ASP HB2 H 2.693 0.02 2 343 34 34 ASP HB3 H 2.428 0.02 2 344 34 34 ASP C C 173.878 0.2 1 345 34 34 ASP CA C 53.172 0.2 1 346 34 34 ASP CB C 40.891 0.2 1 347 34 34 ASP N N 124.265 0.2 1 348 35 35 ILE H H 7.188 0.02 1 349 35 35 ILE HA H 5.043 0.02 1 350 35 35 ILE HB H 1.56 0.02 1 351 35 35 ILE HG12 H 1.006 0.02 2 352 35 35 ILE HG13 H 1.203 0.02 2 353 35 35 ILE HG2 H 0.685 0.02 1 354 35 35 ILE HD1 H 0.681 0.02 1 355 35 35 ILE C C 176.589 0.2 1 356 35 35 ILE CA C 58.83 0.2 1 357 35 35 ILE CB C 38.073 0.2 1 358 35 35 ILE CG1 C 29.088 0.2 1 359 35 35 ILE CG2 C 16.82 0.2 1 360 35 35 ILE CD1 C 13.578 0.2 1 361 35 35 ILE N N 124.213 0.2 1 362 36 36 GLY H H 8.748 0.02 1 363 36 36 GLY HA2 H 4.374 0.02 2 364 36 36 GLY HA3 H 3.886 0.02 2 365 36 36 GLY CA C 45.744 0.2 1 366 36 36 GLY N N 113.742 0.2 1 367 37 37 PRO HA H 4.187 0.02 1 368 37 37 PRO HB2 H 2.291 0.02 2 369 37 37 PRO HB3 H 1.907 0.02 2 370 37 37 PRO HG2 H 1.941 0.02 2 371 37 37 PRO HG3 H 2.071 0.02 2 372 37 37 PRO HD2 H 3.543 0.02 2 373 37 37 PRO HD3 H 3.734 0.02 2 374 37 37 PRO C C 178.427 0.2 1 375 37 37 PRO CA C 64.849 0.2 1 376 37 37 PRO CB C 32.202 0.2 1 377 37 37 PRO CG C 27.439 0.2 1 378 37 37 PRO CD C 49.923 0.2 1 379 38 38 LYS H H 8.262 0.02 1 380 38 38 LYS HA H 4.55 0.02 1 381 38 38 LYS HB2 H 2.012 0.02 2 382 38 38 LYS HB3 H 1.599 0.02 2 383 38 38 LYS HG2 H 1.249 0.02 2 384 38 38 LYS HG3 H 1.326 0.02 2 385 38 38 LYS HD2 H 1.944 0.02 2 386 38 38 LYS HD3 H 2.071 0.02 2 387 38 38 LYS C C 176.306 0.2 1 388 38 38 LYS CA C 54.664 0.2 1 389 38 38 LYS CB C 32.645 0.2 1 390 38 38 LYS CG C 25.401 0.2 1 391 38 38 LYS CD C 27.554 0.2 1 392 38 38 LYS N N 117.201 0.2 1 393 39 39 GLN H H 7.68 0.02 1 394 39 39 GLN HA H 4.688 0.02 1 395 39 39 GLN HB2 H 2.343 0.02 2 396 39 39 GLN HB3 H 1.645 0.02 2 397 39 39 GLN HG2 H 2.044 0.02 2 398 39 39 GLN HG3 H 2.229 0.02 2 399 39 39 GLN HE21 H 6.69 0.02 2 400 39 39 GLN HE22 H 7.352 0.02 2 401 39 39 GLN C C 176.105 0.2 1 402 39 39 GLN CA C 55.448 0.2 1 403 39 39 GLN CB C 29.54 0.2 1 404 39 39 GLN CG C 34.031 0.2 1 405 39 39 GLN N N 122.507 0.2 1 406 39 39 GLN NE2 N 111.623 0.2 1 407 40 40 THR H H 8.525 0.02 1 408 40 40 THR HA H 5.097 0.02 1 409 40 40 THR HB H 3.977 0.02 1 410 40 40 THR HG2 H 1.102 0.02 1 411 40 40 THR C C 172.592 0.2 1 412 40 40 THR CA C 63.65 0.2 1 413 40 40 THR CB C 69.597 0.2 1 414 40 40 THR CG2 C 23.262 0.2 1 415 40 40 THR N N 125.864 0.2 1 416 41 41 GLN H H 8.821 0.02 1 417 41 41 GLN HA H 5.019 0.02 1 418 41 41 GLN C C 174.312 0.2 1 419 41 41 GLN CA C 55.149 0.2 1 420 41 41 GLN CB C 33.926 0.2 1 421 41 41 GLN N N 123.702 0.2 1 422 42 42 VAL H H 8.135 0.02 1 423 42 42 VAL HA H 5.617 0.02 1 424 42 42 VAL HB H 1.709 0.02 1 425 42 42 VAL HG1 H 0.765 0.02 2 426 42 42 VAL C C 173.505 0.2 1 427 42 42 VAL CA C 60.005 0.2 1 428 42 42 VAL CB C 36.835 0.2 1 429 42 42 VAL CG1 C 22.215 0.2 2 430 42 42 VAL N N 119.48 0.2 1 431 43 43 GLY H H 8.606 0.02 1 432 43 43 GLY HA2 H 4.428 0.02 2 433 43 43 GLY HA3 H 4.428 0.02 2 434 43 43 GLY C C 172.196 0.2 1 435 43 43 GLY CA C 43.29 0.2 1 436 43 43 GLY N N 111.72 0.2 1 437 44 44 ILE H H 7.361 0.02 1 438 44 44 ILE HA H 5.085 0.02 1 439 44 44 ILE HB H 0.626 0.02 1 440 44 44 ILE HG12 H 0.855 0.02 1 441 44 44 ILE HG13 H 0.855 0.02 1 442 44 44 ILE HG2 H 0.579 0.02 1 443 44 44 ILE HD1 H 0.599 0.02 1 444 44 44 ILE C C 174.136 0.2 1 445 44 44 ILE CA C 60.846 0.2 1 446 44 44 ILE CB C 41.252 0.2 1 447 44 44 ILE CG1 C 27.487 0.2 1 448 44 44 ILE CG2 C 16.699 0.2 1 449 44 44 ILE CD1 C 14.602 0.2 1 450 44 44 ILE N N 116.145 0.2 1 451 45 45 VAL H H 9.245 0.02 1 452 45 45 VAL HA H 4.541 0.02 1 453 45 45 VAL HB H 1.635 0.02 1 454 45 45 VAL HG1 H 0.469 0.02 2 455 45 45 VAL HG2 H 0.61 0.02 2 456 45 45 VAL C C 173.113 0.2 1 457 45 45 VAL CA C 59.832 0.2 1 458 45 45 VAL CB C 35.735 0.2 1 459 45 45 VAL CG1 C 21.976 0.2 2 460 45 45 VAL CG2 C 22.237 0.2 2 461 45 45 VAL N N 127.8 0.2 1 462 46 46 GLN H H 9.333 0.02 1 463 46 46 GLN HA H 5.906 0.02 1 464 46 46 GLN HB2 H 2.086 0.02 2 465 46 46 GLN HB3 H 2.086 0.02 2 466 46 46 GLN HG2 H 2.101 0.02 2 467 46 46 GLN HG3 H 2.519 0.02 2 468 46 46 GLN C C 173.879 0.2 1 469 46 46 GLN CA C 53.759 0.2 1 470 46 46 GLN CB C 32.485 0.2 1 471 46 46 GLN CG C 35.72 0.2 1 472 46 46 GLN N N 125.57 0.2 1 473 47 47 TYR H H 9.3 0.02 1 474 47 47 TYR HA H 5.865 0.02 1 475 47 47 TYR HB2 H 2.898 0.02 2 476 47 47 TYR HB3 H 2.864 0.02 2 477 47 47 TYR HD1 H 6.52 0.02 3 478 47 47 TYR HD2 H 6.52 0.02 3 479 47 47 TYR HE1 H 6.387 0.02 3 480 47 47 TYR HE2 H 6.387 0.02 3 481 47 47 TYR C C 172.762 0.2 1 482 47 47 TYR CA C 55.419 0.2 1 483 47 47 TYR CB C 44.504 0.2 1 484 47 47 TYR CD1 C 132.275 0.2 3 485 47 47 TYR CD2 C 132.28 0.2 3 486 47 47 TYR CE1 C 117.859 0.2 3 487 47 47 TYR N N 124.508 0.2 1 488 48 48 GLY H H 7.894 0.02 1 489 48 48 GLY HA2 H 3.637 0.02 2 490 48 48 GLY HA3 H 3.804 0.02 2 491 48 48 GLY C C 172.936 0.2 1 492 48 48 GLY CA C 48.04 0.2 1 493 48 48 GLY N N 108.787 0.2 1 494 49 49 GLU H H 9.355 0.02 1 495 49 49 GLU HA H 3.959 0.02 1 496 49 49 GLU HB2 H 2.047 0.02 2 497 49 49 GLU HB3 H 1.816 0.02 2 498 49 49 GLU HG2 H 2.224 0.02 2 499 49 49 GLU HG3 H 2.224 0.02 2 500 49 49 GLU C C 174.96 0.2 1 501 49 49 GLU CA C 58.254 0.2 1 502 49 49 GLU CB C 30.943 0.2 1 503 49 49 GLU CG C 38.421 0.2 1 504 49 49 GLU N N 128.08 0.2 1 505 50 50 ASN H H 7.494 0.02 1 506 50 50 ASN HA H 4.69 0.02 1 507 50 50 ASN HB2 H 2.731 0.02 2 508 50 50 ASN HB3 H 2.812 0.02 2 509 50 50 ASN HD21 H 7.554 0.02 2 510 50 50 ASN HD22 H 6.819 0.02 2 511 50 50 ASN C C 174.229 0.2 1 512 50 50 ASN CA C 50.806 0.2 1 513 50 50 ASN CB C 41.127 0.2 1 514 50 50 ASN N N 113.65 0.2 1 515 50 50 ASN ND2 N 112.893 0.2 1 516 51 51 VAL H H 8.647 0.02 1 517 51 51 VAL HA H 4.55 0.02 1 518 51 51 VAL HB H 1.815 0.02 1 519 51 51 VAL HG1 H 0.552 0.02 1 520 51 51 VAL HG2 H 0.725 0.02 2 521 51 51 VAL C C 174.904 0.2 1 522 51 51 VAL CA C 62.73 0.2 1 523 51 51 VAL CB C 34.034 0.2 1 524 51 51 VAL CG1 C 22.074 0.2 2 525 51 51 VAL CG2 C 22.14 0.2 2 526 51 51 VAL N N 119.885 0.2 1 527 52 52 THR H H 9.183 0.02 1 528 52 52 THR HA H 4.42 0.02 1 529 52 52 THR HB H 3.644 0.02 1 530 52 52 THR HG2 H 0.92 0.02 1 531 52 52 THR C C 173.383 0.2 1 532 52 52 THR CA C 61.809 0.2 1 533 52 52 THR CB C 71.943 0.2 1 534 52 52 THR CG2 C 21.033 0.2 1 535 52 52 THR N N 123.785 0.2 1 536 53 53 HIS H H 8.995 0.02 1 537 53 53 HIS HA H 4.329 0.02 1 538 53 53 HIS HB2 H 2.582 0.02 2 539 53 53 HIS HB3 H 2.982 0.02 2 540 53 53 HIS HD2 H 6.985 0.02 1 541 53 53 HIS HE1 H 7.744 0.02 1 542 53 53 HIS C C 175.728 0.2 1 543 53 53 HIS CA C 57.162 0.2 1 544 53 53 HIS CB C 31.084 0.2 1 545 53 53 HIS CD2 C 118.71 0.2 1 546 53 53 HIS CE1 C 138.96 0.2 1 547 53 53 HIS N N 127.361 0.2 1 548 54 54 GLU H H 8.901 0.02 1 549 54 54 GLU HA H 4.506 0.02 1 550 54 54 GLU HB2 H 1.405 0.02 2 551 54 54 GLU HB3 H 1.405 0.02 2 552 54 54 GLU C C 178.106 0.2 1 553 54 54 GLU CA C 57.886 0.2 1 554 54 54 GLU CB C 28.57 0.2 1 555 54 54 GLU N N 127.64 0.2 1 556 55 55 PHE H H 7.351 0.02 1 557 55 55 PHE HA H 4.616 0.02 1 558 55 55 PHE HB2 H 3.815 0.02 2 559 55 55 PHE HB3 H 2.914 0.02 2 560 55 55 PHE HD1 H 7.431 0.02 3 561 55 55 PHE HD2 H 7.431 0.02 3 562 55 55 PHE C C 174.32 0.2 1 563 55 55 PHE CA C 57.044 0.2 1 564 55 55 PHE CB C 40.763 0.2 1 565 55 55 PHE CD1 C 134.041 0.2 3 566 55 55 PHE CD2 C 134.04 0.2 3 567 56 56 ASN H H 8.378 0.02 1 568 56 56 ASN HA H 5.024 0.02 1 569 56 56 ASN HB2 H 2.561 0.02 2 570 56 56 ASN HB3 H 2.561 0.02 2 571 56 56 ASN CA C 52.079 0.2 1 572 56 56 ASN CB C 39.705 0.2 1 573 56 56 ASN N N 120.216 0.2 1 574 57 57 LEU HA H 3.838 0.02 1 575 57 57 LEU HB2 H 0.934 0.02 2 576 57 57 LEU HB3 H 1.73 0.02 2 577 57 57 LEU HD1 H 0.579 0.02 2 578 57 57 LEU HD2 H 0.531 0.02 2 579 57 57 LEU C C 175.843 0.2 1 580 57 57 LEU CA C 58.498 0.2 1 581 57 57 LEU CB C 43.994 0.2 1 582 57 57 LEU CD1 C 26.116 0.2 2 583 57 57 LEU CD2 C 26.76 0.2 2 584 58 58 ASN H H 7.345 0.02 1 585 58 58 ASN HA H 4.718 0.02 1 586 58 58 ASN HB2 H 3.261 0.02 2 587 58 58 ASN HB3 H 2.517 0.02 2 588 58 58 ASN HD21 H 6.591 0.02 2 589 58 58 ASN HD22 H 7.533 0.02 2 590 58 58 ASN C C 177.051 0.2 1 591 58 58 ASN CA C 50.879 0.2 1 592 58 58 ASN CB C 38.911 0.2 1 593 58 58 ASN N N 109.176 0.2 1 594 58 58 ASN ND2 N 108.762 0.2 1 595 59 59 LYS H H 7.793 0.02 1 596 59 59 LYS HA H 3.682 0.02 1 597 59 59 LYS HB2 H 1.709 0.02 2 598 59 59 LYS HB3 H 1.524 0.02 2 599 59 59 LYS HG2 H 0.425 0.02 2 600 59 59 LYS HG3 H -0.24 0.02 2 601 59 59 LYS HD2 H 1.308 0.02 2 602 59 59 LYS HD3 H 1.53 0.02 2 603 59 59 LYS C C 176.38 0.2 1 604 59 59 LYS CA C 59.241 0.2 1 605 59 59 LYS CB C 32.863 0.2 1 606 59 59 LYS CG C 24.6 0.2 1 607 59 59 LYS CD C 28.395 0.2 1 608 59 59 LYS N N 122.47 0.2 1 609 60 60 TYR H H 8.838 0.02 1 610 60 60 TYR HA H 4.848 0.02 1 611 60 60 TYR HB2 H 2.559 0.02 2 612 60 60 TYR HB3 H 2.771 0.02 2 613 60 60 TYR C C 176.551 0.2 1 614 60 60 TYR CA C 56.785 0.2 1 615 60 60 TYR CB C 40.587 0.2 1 616 60 60 TYR N N 116.308 0.2 1 617 61 61 SER H H 8.869 0.02 1 618 61 61 SER HA H 4.493 0.02 1 619 61 61 SER HB2 H 4.042 0.02 2 620 61 61 SER HB3 H 3.812 0.02 2 621 61 61 SER C C 172.093 0.2 1 622 61 61 SER CA C 57.686 0.2 1 623 61 61 SER CB C 64.641 0.2 1 624 61 61 SER N N 114.374 0.2 1 625 62 62 SER H H 7.236 0.02 1 626 62 62 SER HA H 5.056 0.02 1 627 62 62 SER HB2 H 4.206 0.02 2 628 62 62 SER HB3 H 3.923 0.02 2 629 62 62 SER C C 174.355 0.2 1 630 62 62 SER CA C 56.928 0.2 1 631 62 62 SER CB C 67.154 0.2 1 632 62 62 SER N N 111.843 0.2 1 633 63 63 THR H H 9.263 0.02 1 634 63 63 THR HA H 4.101 0.02 1 635 63 63 THR HB H 3.677 0.02 1 636 63 63 THR HG2 H 1.217 0.02 1 637 63 63 THR C C 175.543 0.2 1 638 63 63 THR CA C 69.245 0.2 1 639 63 63 THR CB C 67.203 0.2 1 640 63 63 THR CG2 C 22.558 0.2 1 641 63 63 THR N N 121.325 0.2 1 642 64 64 GLU H H 8.873 0.02 1 643 64 64 GLU HA H 3.747 0.02 1 644 64 64 GLU HB2 H 1.966 0.02 2 645 64 64 GLU HB3 H 1.819 0.02 2 646 64 64 GLU C C 178.754 0.2 1 647 64 64 GLU CA C 60.437 0.2 1 648 64 64 GLU CB C 29.466 0.2 1 649 64 64 GLU N N 119.922 0.2 1 650 65 65 GLU H H 7.299 0.02 1 651 65 65 GLU HA H 3.67 0.02 1 652 65 65 GLU HB2 H 1.973 0.02 2 653 65 65 GLU HB3 H 1.973 0.02 2 654 65 65 GLU HG2 H 2.277 0.02 2 655 65 65 GLU HG3 H 2.202 0.02 2 656 65 65 GLU CA C 59.051 0.2 1 657 65 65 GLU CB C 31.338 0.2 1 658 65 65 GLU CG C 36.463 0.2 1 659 65 65 GLU N N 115.387 0.2 1 660 66 66 VAL H H 7.361 0.02 1 661 66 66 VAL HA H 2.937 0.02 1 662 66 66 VAL HB H 1.988 0.02 1 663 66 66 VAL HG1 H 0.945 0.02 2 664 66 66 VAL HG2 H 1.059 0.02 2 665 66 66 VAL C C 176.723 0.2 1 666 66 66 VAL CA C 66.018 0.2 1 667 66 66 VAL CB C 31.535 0.2 1 668 66 66 VAL CG1 C 23.156 0.2 2 669 66 66 VAL CG2 C 25.56 0.2 2 670 66 66 VAL N N 119.406 0.2 1 671 67 67 LEU H H 8.154 0.02 1 672 67 67 LEU HA H 3.811 0.02 1 673 67 67 LEU HB2 H 1.227 0.02 2 674 67 67 LEU HB3 H 1.778 0.02 2 675 67 67 LEU HD1 H 0.69 0.02 2 676 67 67 LEU HD2 H 0.69 0.02 2 677 67 67 LEU C C 180.087 0.2 1 678 67 67 LEU CA C 58 0.2 1 679 67 67 LEU CB C 41.941 0.2 1 680 67 67 LEU CD2 C 24.296 0.2 2 681 67 67 LEU N N 120.234 0.2 1 682 68 68 VAL H H 7.11 0.02 1 683 68 68 VAL HA H 3.339 0.02 1 684 68 68 VAL HB H 1.79 0.02 1 685 68 68 VAL HG1 H 0.738 0.02 2 686 68 68 VAL HG2 H 0.916 0.02 2 687 68 68 VAL C C 179.736 0.2 1 688 68 68 VAL CA C 66.193 0.2 1 689 68 68 VAL CB C 32.196 0.2 1 690 68 68 VAL CG1 C 21.309 0.2 2 691 68 68 VAL CG2 C 22.938 0.2 2 692 68 68 VAL N N 118.03 0.2 1 693 69 69 ALA H H 6.97 0.02 1 694 69 69 ALA HA H 3.764 0.02 1 695 69 69 ALA HB H 0.725 0.02 1 696 69 69 ALA C C 181.653 0.2 1 697 69 69 ALA CA C 55.08 0.2 1 698 69 69 ALA CB C 20.08 0.2 1 699 69 69 ALA N N 120.581 0.2 1 700 70 70 ALA H H 8.881 0.02 1 701 70 70 ALA HA H 4.001 0.02 1 702 70 70 ALA HB H 1.282 0.02 1 703 70 70 ALA C C 178.758 0.2 1 704 70 70 ALA CA C 55.103 0.2 1 705 70 70 ALA CB C 18.097 0.2 1 706 70 70 ALA N N 120.991 0.2 1 707 71 71 LYS H H 7.124 0.02 1 708 71 71 LYS HA H 3.996 0.02 1 709 71 71 LYS HB2 H 1.8 0.02 2 710 71 71 LYS HB3 H 1.8 0.02 2 711 71 71 LYS HG2 H 1.565 0.02 2 712 71 71 LYS HG3 H 1.397 0.02 2 713 71 71 LYS HE2 H 2.794 0.02 2 714 71 71 LYS HE3 H 2.853 0.02 2 715 71 71 LYS C C 177.551 0.2 1 716 71 71 LYS CA C 58.19 0.2 1 717 71 71 LYS CB C 32.837 0.2 1 718 71 71 LYS CG C 25.818 0.2 1 719 71 71 LYS CE C 42.337 0.2 1 720 71 71 LYS N N 113.809 0.2 1 721 72 72 LYS H H 7.15 0.02 1 722 72 72 LYS HA H 4.252 0.02 1 723 72 72 LYS HB2 H 1.968 0.02 2 724 72 72 LYS HB3 H 1.791 0.02 2 725 72 72 LYS HG2 H 1.387 0.02 2 726 72 72 LYS HG3 H 1.538 0.02 2 727 72 72 LYS C C 176.789 0.2 1 728 72 72 LYS CA C 55.865 0.2 1 729 72 72 LYS CB C 33.407 0.2 1 730 72 72 LYS CG C 25.4 0.2 1 731 72 72 LYS N N 115.553 0.2 1 732 73 73 ILE H H 7.164 0.02 1 733 73 73 ILE HA H 3.95 0.02 1 734 73 73 ILE HB H 1.903 0.02 1 735 73 73 ILE HG12 H 2.006 0.02 2 736 73 73 ILE HG13 H 1.117 0.02 2 737 73 73 ILE HG2 H 0.907 0.02 1 738 73 73 ILE HD1 H 0.875 0.02 1 739 73 73 ILE C C 176.494 0.2 1 740 73 73 ILE CA C 63.029 0.2 1 741 73 73 ILE CB C 37.347 0.2 1 742 73 73 ILE CG1 C 28.375 0.2 1 743 73 73 ILE CG2 C 17.625 0.2 1 744 73 73 ILE CD1 C 14.859 0.2 1 745 73 73 ILE N N 120.965 0.2 1 746 74 74 VAL H H 8.174 0.02 1 747 74 74 VAL HA H 4.26 0.02 1 748 74 74 VAL HB H 1.875 0.02 1 749 74 74 VAL HG1 H 0.667 0.02 2 750 74 74 VAL HG2 H 0.804 0.02 2 751 74 74 VAL C C 174.021 0.2 1 752 74 74 VAL CA C 59.647 0.2 1 753 74 74 VAL CB C 33.973 0.2 1 754 74 74 VAL CG1 C 18.968 0.2 2 755 74 74 VAL CG2 C 21.649 0.2 2 756 74 74 VAL N N 127.119 0.2 1 757 75 75 GLN H H 7.569 0.02 1 758 75 75 GLN HA H 2.799 0.02 1 759 75 75 GLN HB2 H -0.187 0.02 2 760 75 75 GLN HB3 H 1.128 0.02 2 761 75 75 GLN CA C 55.478 0.2 1 762 75 75 GLN CB C 27.131 0.2 1 763 75 75 GLN N N 123.929 0.2 1 764 76 76 ARG H H 9.67 0.02 1 765 76 76 ARG HA H 3.872 0.02 1 766 76 76 ARG HB2 H 1.457 0.02 2 767 76 76 ARG HB3 H 1.457 0.02 2 768 76 76 ARG C C 178.628 0.2 1 769 76 76 ARG CA C 57.917 0.2 1 770 76 76 ARG CB C 29.779 0.2 1 771 76 76 ARG N N 130.66 0.2 1 772 77 77 GLY H H 7.36 0.02 1 773 77 77 GLY HA2 H 4.181 0.02 2 774 77 77 GLY HA3 H 3.867 0.02 2 775 77 77 GLY C C 174.221 0.2 1 776 77 77 GLY CA C 44.916 0.2 1 777 77 77 GLY N N 107.363 0.2 1 778 78 78 GLY H H 7.851 0.02 1 779 78 78 GLY HA2 H 3.916 0.02 2 780 78 78 GLY HA3 H 3.936 0.02 2 781 78 78 GLY C C 172.71 0.2 1 782 78 78 GLY CA C 46.986 0.2 1 783 78 78 GLY N N 104.542 0.2 1 784 79 79 ARG H H 9.952 0.02 1 785 79 79 ARG HB2 H 1.564 0.02 2 786 79 79 ARG HB3 H 2.015 0.02 2 787 79 79 ARG HG2 H 1.36 0.02 2 788 79 79 ARG HG3 H 1.609 0.02 2 789 79 79 ARG C C 174.484 0.2 1 790 79 79 ARG CA C 57.437 0.2 1 791 79 79 ARG CB C 30.338 0.2 1 792 79 79 ARG CG C 28.887 0.2 1 793 79 79 ARG N N 125.372 0.2 1 794 80 80 GLN H H 7.411 0.02 1 795 80 80 GLN HA H 4.183 0.02 1 796 80 80 GLN HB2 H 1.949 0.02 2 797 80 80 GLN HB3 H 1.603 0.02 2 798 80 80 GLN C C 173.824 0.2 1 799 80 80 GLN CA C 55.041 0.2 1 800 80 80 GLN CB C 35.655 0.2 1 801 80 80 GLN N N 114.807 0.2 1 802 81 81 THR HA H 4.176 0.02 1 803 81 81 THR HB H 4.709 0.02 1 804 81 81 THR HG2 H 1.496 0.02 1 805 81 81 THR C C 175.393 0.2 1 806 81 81 THR CA C 62.222 0.2 1 807 81 81 THR CB C 71.14 0.2 1 808 81 81 THR CG2 C 21.413 0.2 1 809 81 81 THR N N 118.711 0.2 1 810 82 82 MET H H 8.679 0.02 1 811 82 82 MET HA H 4.986 0.02 1 812 82 82 MET HG2 H 2.684 0.02 2 813 82 82 MET HG3 H 2.539 0.02 2 814 82 82 MET HE H 2.051 0.02 1 815 82 82 MET C C 175.011 0.2 1 816 82 82 MET CA C 52.078 0.2 1 817 82 82 MET CB C 29.146 0.2 1 818 82 82 MET CG C 32.743 0.2 1 819 82 82 MET CE C 18.036 0.2 1 820 82 82 MET N N 129.258 0.2 1 821 83 83 THR H H 6.986 0.02 1 822 83 83 THR HA H 3.105 0.02 1 823 83 83 THR HB H 4.072 0.02 1 824 83 83 THR HG2 H 0.986 0.02 1 825 83 83 THR C C 175.014 0.2 1 826 83 83 THR CA C 65.627 0.2 1 827 83 83 THR CB C 69.254 0.2 1 828 83 83 THR CG2 C 21.579 0.2 1 829 83 83 THR N N 120.952 0.2 1 830 84 84 ALA H H 10.069 0.02 1 831 84 84 ALA HA H 3.562 0.02 1 832 84 84 ALA HB H 0.952 0.02 1 833 84 84 ALA C C 179.5 0.2 1 834 84 84 ALA CA C 56.069 0.2 1 835 84 84 ALA CB C 16.73 0.2 1 836 84 84 ALA N N 127.127 0.2 1 837 85 85 LEU H H 8.166 0.02 1 838 85 85 LEU HA H 3.811 0.02 1 839 85 85 LEU HB2 H 1.77 0.02 2 840 85 85 LEU HB3 H 1.455 0.02 2 841 85 85 LEU HD1 H 0.734 0.02 2 842 85 85 LEU HD2 H 0.948 0.02 2 843 85 85 LEU C C 181.098 0.2 1 844 85 85 LEU CA C 57.906 0.2 1 845 85 85 LEU CB C 41.768 0.2 1 846 85 85 LEU CD1 C 26.5 0.2 2 847 85 85 LEU CD2 C 23.107 0.2 2 848 85 85 LEU N N 120.421 0.2 1 849 86 86 GLY H H 8.72 0.02 1 850 86 86 GLY HA2 H 3.169 0.02 2 851 86 86 GLY HA3 H 2.621 0.02 2 852 86 86 GLY C C 174.135 0.2 1 853 86 86 GLY CA C 47.323 0.2 1 854 86 86 GLY N N 111.466 0.2 1 855 87 87 ILE H H 8.141 0.02 1 856 87 87 ILE HA H 3.281 0.02 1 857 87 87 ILE HB H 1.387 0.02 1 858 87 87 ILE HG2 H 0.556 0.02 1 859 87 87 ILE HD1 H 0.608 0.02 1 860 87 87 ILE C C 177.503 0.2 1 861 87 87 ILE CA C 66.253 0.2 1 862 87 87 ILE CB C 38.911 0.2 1 863 87 87 ILE CG2 C 18.4 0.2 1 864 87 87 ILE CD1 C 15.663 0.2 1 865 87 87 ILE N N 121.133 0.2 1 866 88 88 ASP H H 8.512 0.02 1 867 88 88 ASP HA H 4.313 0.02 1 868 88 88 ASP HB2 H 2.522 0.02 2 869 88 88 ASP HB3 H 2.837 0.02 2 870 88 88 ASP C C 178.751 0.2 1 871 88 88 ASP CA C 57.569 0.2 1 872 88 88 ASP CB C 43.248 0.2 1 873 88 88 ASP N N 119.246 0.2 1 874 89 89 THR H H 8.47 0.02 1 875 89 89 THR HA H 4.029 0.02 1 876 89 89 THR HB H 3.775 0.02 1 877 89 89 THR HG2 H 0.985 0.02 1 878 89 89 THR C C 176.4 0.2 1 879 89 89 THR CA C 68.345 0.2 1 880 89 89 THR CB C 67.082 0.2 1 881 89 89 THR CG2 C 21.151 0.2 1 882 89 89 THR N N 112.948 0.2 1 883 90 90 ALA H H 8.159 0.02 1 884 90 90 ALA HA H 3.791 0.02 1 885 90 90 ALA HB H 1.33 0.02 1 886 90 90 ALA C C 178.756 0.2 1 887 90 90 ALA CA C 56.016 0.2 1 888 90 90 ALA CB C 19.009 0.2 1 889 90 90 ALA N N 125.129 0.2 1 890 91 91 ARG H H 8.479 0.02 1 891 91 91 ARG HA H 3.845 0.02 1 892 91 91 ARG HB2 H 2.201 0.02 2 893 91 91 ARG HB3 H 2.201 0.02 2 894 91 91 ARG HG2 H 1.357 0.02 2 895 91 91 ARG HG3 H 1.357 0.02 2 896 91 91 ARG C C 177.99 0.2 1 897 91 91 ARG CA C 60.729 0.2 1 898 91 91 ARG CB C 29.918 0.2 1 899 91 91 ARG CG C 27.6 0.2 1 900 91 91 ARG N N 117.401 0.2 1 901 92 92 LYS H H 8.073 0.02 1 902 92 92 LYS HA H 4.025 0.02 1 903 92 92 LYS HB2 H 1.75 0.02 2 904 92 92 LYS HB3 H 1.75 0.02 2 905 92 92 LYS HG2 H 1.551 0.02 2 906 92 92 LYS HG3 H 1.551 0.02 2 907 92 92 LYS C C 178.208 0.2 1 908 92 92 LYS CA C 58.98 0.2 1 909 92 92 LYS CB C 34.233 0.2 1 910 92 92 LYS N N 114.595 0.2 1 911 93 93 GLU H H 8.678 0.02 1 912 93 93 GLU HA H 4.494 0.02 1 913 93 93 GLU HB2 H 2.038 0.02 2 914 93 93 GLU HB3 H 2.038 0.02 2 915 93 93 GLU HG2 H 2.27 0.02 2 916 93 93 GLU HG3 H 2.41 0.02 2 917 93 93 GLU C C 178.16 0.2 1 918 93 93 GLU CA C 57.3 0.2 1 919 93 93 GLU CB C 33.059 0.2 1 920 93 93 GLU CG C 36.409 0.2 1 921 93 93 GLU N N 113.87 0.2 1 922 94 94 ALA H H 8.529 0.02 1 923 94 94 ALA HA H 4.097 0.02 1 924 94 94 ALA HB H 1.303 0.02 1 925 94 94 ALA C C 177.262 0.2 1 926 94 94 ALA CA C 55.111 0.2 1 927 94 94 ALA CB C 20.213 0.2 1 928 94 94 ALA N N 120.07 0.2 1 929 95 95 PHE H H 6.981 0.02 1 930 95 95 PHE HA H 4.511 0.02 1 931 95 95 PHE HB2 H 3.237 0.02 2 932 95 95 PHE HB3 H 2.843 0.02 2 933 95 95 PHE HD1 H 7.211 0.02 3 934 95 95 PHE HD2 H 7.211 0.02 3 935 95 95 PHE HE1 H 7.166 0.02 3 936 95 95 PHE HE2 H 7.166 0.02 3 937 95 95 PHE C C 175.308 0.2 1 938 95 95 PHE CA C 56.984 0.2 1 939 95 95 PHE CB C 37.965 0.2 1 940 95 95 PHE CD1 C 132.052 0.2 3 941 95 95 PHE CD2 C 132.054 0.2 3 942 95 95 PHE CE1 C 130.989 0.2 3 943 95 95 PHE N N 112.202 0.2 1 944 96 96 THR H H 6.842 0.02 1 945 96 96 THR HA H 4.526 0.02 1 946 96 96 THR HB H 4.429 0.02 1 947 96 96 THR HG2 H 1.221 0.02 1 948 96 96 THR CA C 59.54 0.2 1 949 96 96 THR CB C 71.91 0.2 1 950 96 96 THR CG2 C 23.105 0.2 1 951 96 96 THR N N 107.194 0.2 1 952 98 98 ALA HA H 4.03 0.02 1 953 98 98 ALA HB H 1.324 0.02 1 954 98 98 ALA C C 179.284 0.2 1 955 98 98 ALA CA C 55.021 0.2 1 956 98 98 ALA CB C 18.656 0.2 1 957 99 99 ARG H H 7.061 0.02 1 958 99 99 ARG HA H 4.221 0.02 1 959 99 99 ARG HB2 H 2.179 0.02 2 960 99 99 ARG HB3 H 1.674 0.02 2 961 99 99 ARG HG2 H 1.816 0.02 2 962 99 99 ARG HG3 H 2.002 0.02 2 963 99 99 ARG C C 174.052 0.2 1 964 99 99 ARG CA C 56.715 0.2 1 965 99 99 ARG CB C 30.274 0.2 1 966 99 99 ARG CG C 29.497 0.2 1 967 99 99 ARG N N 115.359 0.2 1 968 100 100 GLY H H 7.496 0.02 1 969 100 100 GLY HA2 H 4.063 0.02 2 970 100 100 GLY HA3 H 3.503 0.02 2 971 100 100 GLY C C 174.164 0.2 1 972 100 100 GLY CA C 45.71 0.2 1 973 100 100 GLY N N 102.528 0.2 1 974 101 101 ALA H H 7.691 0.02 1 975 101 101 ALA HA H 4.036 0.02 1 976 101 101 ALA HB H 0.99 0.02 1 977 101 101 ALA C C 177.955 0.2 1 978 101 101 ALA CA C 53.12 0.2 1 979 101 101 ALA CB C 18.525 0.2 1 980 101 101 ALA N N 123.927 0.2 1 981 102 102 ARG H H 9.456 0.02 1 982 102 102 ARG HA H 4.327 0.02 1 983 102 102 ARG C C 176.459 0.2 1 984 102 102 ARG CA C 55.186 0.2 1 985 102 102 ARG CB C 32.273 0.2 1 986 102 102 ARG N N 125.757 0.2 1 987 103 103 ARG H H 8.52 0.02 1 988 103 103 ARG HA H 3.998 0.02 1 989 103 103 ARG HB2 H 1.659 0.02 2 990 103 103 ARG HB3 H 1.719 0.02 2 991 103 103 ARG HG2 H 1.522 0.02 2 992 103 103 ARG HG3 H 1.622 0.02 2 993 103 103 ARG CA C 57.793 0.2 1 994 103 103 ARG CB C 30.039 0.2 1 995 103 103 ARG CG C 27.293 0.2 1 996 103 103 ARG N N 124.649 0.2 1 997 104 104 GLY H H 8.345 0.02 1 998 104 104 GLY HA2 H 3.966 0.02 2 999 104 104 GLY HA3 H 3.815 0.02 2 1000 104 104 GLY CA C 45.909 0.2 1 1001 104 104 GLY N N 108.981 0.2 1 1002 105 105 VAL H H 7.298 0.02 1 1003 105 105 VAL HA H 4.163 0.02 1 1004 105 105 VAL HB H 2.048 0.02 1 1005 105 105 VAL HG1 H 0.665 0.02 2 1006 105 105 VAL HG2 H 0.752 0.02 2 1007 105 105 VAL C C 176.102 0.2 1 1008 105 105 VAL CA C 61.805 0.2 1 1009 105 105 VAL CB C 31.82 0.2 1 1010 105 105 VAL CG1 C 23.339 0.2 2 1011 105 105 VAL CG2 C 21.979 0.2 2 1012 105 105 VAL N N 119.727 0.2 1 1013 106 106 LYS H H 8.288 0.02 1 1014 106 106 LYS HA H 4.048 0.02 1 1015 106 106 LYS HB2 H 1.9 0.02 2 1016 106 106 LYS HB3 H 1.809 0.02 2 1017 106 106 LYS C C 174.143 0.2 1 1018 106 106 LYS CA C 57.647 0.2 1 1019 106 106 LYS CB C 33.387 0.2 1 1020 106 106 LYS N N 128.761 0.2 1 1021 107 107 LYS H H 8.401 0.02 1 1022 107 107 LYS HA H 4.97 0.02 1 1023 107 107 LYS HB2 H 0.745 0.02 2 1024 107 107 LYS HB3 H 0.745 0.02 2 1025 107 107 LYS HD2 H 1.261 0.02 2 1026 107 107 LYS HD3 H 1.261 0.02 2 1027 107 107 LYS C C 176.54 0.2 1 1028 107 107 LYS CA C 55.587 0.2 1 1029 107 107 LYS CB C 35.607 0.2 1 1030 107 107 LYS N N 123.859 0.2 1 1031 108 108 VAL H H 8.94 0.02 1 1032 108 108 VAL HA H 5.163 0.02 1 1033 108 108 VAL HB H 1.941 0.02 1 1034 108 108 VAL HG1 H 1.055 0.02 2 1035 108 108 VAL HG2 H 1.019 0.02 2 1036 108 108 VAL C C 174.507 0.2 1 1037 108 108 VAL CA C 60.011 0.2 1 1038 108 108 VAL CB C 36.923 0.2 1 1039 108 108 VAL CG1 C 22.427 0.2 2 1040 108 108 VAL CG2 C 22.22 0.2 2 1041 108 108 VAL N N 123.296 0.2 1 1042 109 109 MET H H 9.599 0.02 1 1043 109 109 MET HA H 5.992 0.02 1 1044 109 109 MET HB2 H 1.761 0.02 2 1045 109 109 MET HB3 H 1.925 0.02 2 1046 109 109 MET HG2 H 2.607 0.02 2 1047 109 109 MET HG3 H 2.446 0.02 2 1048 109 109 MET HE H 2.133 0.02 1 1049 109 109 MET C C 175.232 0.2 1 1050 109 109 MET CA C 54.123 0.2 1 1051 109 109 MET CB C 39.36 0.2 1 1052 109 109 MET CG C 33.831 0.2 1 1053 109 109 MET CE C 18.352 0.2 1 1054 109 109 MET N N 125.297 0.2 1 1055 110 110 VAL H H 8.484 0.02 1 1056 110 110 VAL HA H 5.004 0.02 1 1057 110 110 VAL HB H 1.967 0.02 1 1058 110 110 VAL HG1 H 0.745 0.02 2 1059 110 110 VAL HG2 H 0.684 0.02 2 1060 110 110 VAL CA C 61.198 0.2 1 1061 110 110 VAL CB C 34.175 0.2 1 1062 110 110 VAL CG1 C 20.603 0.2 2 1063 110 110 VAL CG2 C 19.689 0.2 2 1064 110 110 VAL N N 124.216 0.2 1 1065 111 111 ILE H H 9.33 0.02 1 1066 111 111 ILE HA H 5.211 0.02 1 1067 111 111 ILE HB H 1.736 0.02 1 1068 111 111 ILE HG12 H 1.101 0.02 2 1069 111 111 ILE HG13 H 1.391 0.02 2 1070 111 111 ILE HG2 H 0.906 0.02 1 1071 111 111 ILE HD1 H 0.861 0.02 1 1072 111 111 ILE C C 173.965 0.2 1 1073 111 111 ILE CA C 61.337 0.2 1 1074 111 111 ILE CB C 41.289 0.2 1 1075 111 111 ILE CG1 C 30.841 0.2 1 1076 111 111 ILE CG2 C 19.436 0.2 1 1077 111 111 ILE CD1 C 16.496 0.2 1 1078 111 111 ILE N N 129.609 0.2 1 1079 112 112 VAL H H 8.376 0.02 1 1080 112 112 VAL HA H 5.039 0.02 1 1081 112 112 VAL HB H 2.08 0.02 1 1082 112 112 VAL HG1 H 0.537 0.02 2 1083 112 112 VAL HG2 H 0.574 0.02 2 1084 112 112 VAL C C 174.932 0.2 1 1085 112 112 VAL CA C 60.642 0.2 1 1086 112 112 VAL CB C 33.19 0.2 1 1087 112 112 VAL CG1 C 20.023 0.2 2 1088 112 112 VAL CG2 C 21.109 0.2 2 1089 112 112 VAL N N 128.418 0.2 1 1090 113 113 THR H H 8.521 0.02 1 1091 113 113 THR HA H 4.689 0.02 1 1092 113 113 THR HB H 4.616 0.02 1 1093 113 113 THR HG2 H 0.967 0.02 1 1094 113 113 THR C C 170.881 0.2 1 1095 113 113 THR CA C 60.693 0.2 1 1096 113 113 THR CB C 67.772 0.2 1 1097 113 113 THR CG2 C 17.817 0.2 1 1098 113 113 THR N N 117.676 0.2 1 1099 114 114 ASP H H 7.341 0.02 1 1100 114 114 ASP HA H 4.514 0.02 1 1101 114 114 ASP HB2 H 3.146 0.02 2 1102 114 114 ASP HB3 H 3.146 0.02 2 1103 114 114 ASP C C 177.015 0.2 1 1104 114 114 ASP CA C 54.041 0.2 1 1105 114 114 ASP CB C 42.671 0.2 1 1106 114 114 ASP N N 123.639 0.2 1 1107 115 115 GLY H H 7.312 0.02 1 1108 115 115 GLY HA2 H 3.623 0.02 2 1109 115 115 GLY HA3 H 4.114 0.02 2 1110 115 115 GLY C C 171.751 0.2 1 1111 115 115 GLY CA C 46.67 0.2 1 1112 115 115 GLY N N 104.29 0.2 1 1113 116 116 GLU H H 7.332 0.02 1 1114 116 116 GLU HA H 3.968 0.02 1 1115 116 116 GLU HB2 H 1.611 0.02 2 1116 116 116 GLU HB3 H 1.611 0.02 2 1117 116 116 GLU HG2 H 1.097 0.02 2 1118 116 116 GLU HG3 H 1.493 0.02 2 1119 116 116 GLU C C 175.037 0.2 1 1120 116 116 GLU CA C 54.252 0.2 1 1121 116 116 GLU CB C 27.313 0.2 1 1122 116 116 GLU CG C 36.098 0.2 1 1123 116 116 GLU N N 121.551 0.2 1 1124 117 117 SER H H 7.964 0.02 1 1125 117 117 SER C C 176.356 0.2 1 1126 117 117 SER CA C 57.832 0.2 1 1127 117 117 SER CB C 66.407 0.2 1 1128 117 117 SER N N 117.65 0.2 1 1129 118 118 HIS H H 9.274 0.02 1 1130 118 118 HIS HA H 4.772 0.02 1 1131 118 118 HIS HB2 H 3.408 0.02 2 1132 118 118 HIS HB3 H 2.787 0.02 2 1133 118 118 HIS C C 176.602 0.2 1 1134 118 118 HIS CA C 59.291 0.2 1 1135 118 118 HIS CB C 32.819 0.2 1 1136 118 118 HIS N N 116.463 0.2 1 1137 119 119 ASP H H 8.16 0.02 1 1138 119 119 ASP HA H 4.88 0.02 1 1139 119 119 ASP HB2 H 2.532 0.02 2 1140 119 119 ASP HB3 H 2.81 0.02 2 1141 119 119 ASP CA C 52.565 0.2 1 1142 119 119 ASP CB C 40.309 0.2 1 1143 119 119 ASP N N 121.117 0.2 1 1144 120 120 ASN HA H 4.385 0.02 1 1145 120 120 ASN HB2 H 2.844 0.02 2 1146 120 120 ASN HB3 H 2.923 0.02 2 1147 120 120 ASN HD21 H 7.923 0.02 2 1148 120 120 ASN HD22 H 6.92 0.02 2 1149 120 120 ASN CA C 56.154 0.2 1 1150 120 120 ASN CB C 38.139 0.2 1 1151 120 120 ASN ND2 N 114.74 0.2 1 1152 121 121 HIS HA H 4.403 0.02 1 1153 121 121 HIS HB2 H 3.141 0.02 2 1154 121 121 HIS HB3 H 3.031 0.02 2 1155 121 121 HIS CA C 58.471 0.2 1 1156 121 121 HIS CB C 29.51 0.2 1 1157 122 122 ARG H H 7.299 0.02 1 1158 122 122 ARG HA H 4.364 0.02 1 1159 122 122 ARG HB2 H 1.427 0.02 2 1160 122 122 ARG HB3 H 1.606 0.02 2 1161 122 122 ARG HG2 H 1.134 0.02 2 1162 122 122 ARG HG3 H 0.908 0.02 2 1163 122 122 ARG HD2 H 3.04 0.02 2 1164 122 122 ARG HD3 H 3.04 0.02 2 1165 122 122 ARG CA C 55.611 0.2 1 1166 122 122 ARG CB C 31.786 0.2 1 1167 122 122 ARG CG C 27.221 0.2 1 1168 122 122 ARG CD C 43.614 0.2 1 1169 122 122 ARG N N 118.556 0.2 1 1170 123 123 LEU H H 7.065 0.02 1 1171 123 123 LEU HA H 3.652 0.02 1 1172 123 123 LEU HB2 H 1.635 0.02 2 1173 123 123 LEU HB3 H 1.635 0.02 2 1174 123 123 LEU HD1 H 0.643 0.02 2 1175 123 123 LEU HD2 H 0.615 0.02 2 1176 123 123 LEU CA C 58.471 0.2 1 1177 123 123 LEU CB C 42.176 0.2 1 1178 123 123 LEU CG C 29.761 0.2 1 1179 123 123 LEU CD1 C 24.925 0.2 2 1180 123 123 LEU CD2 C 22.619 0.2 2 1181 123 123 LEU N N 120.427 0.2 1 1182 124 124 LYS H H 8.426 0.02 1 1183 124 124 LYS HA H 3.712 0.02 1 1184 124 124 LYS HB2 H 1.694 0.02 2 1185 124 124 LYS HB3 H 1.656 0.02 2 1186 124 124 LYS HG2 H 1.259 0.02 2 1187 124 124 LYS HG3 H 1.408 0.02 2 1188 124 124 LYS CA C 60.473 0.2 1 1189 124 124 LYS CB C 31.875 0.2 1 1190 124 124 LYS CG C 25.345 0.2 1 1191 124 124 LYS N N 117.643 0.2 1 1192 125 125 LYS H H 7.746 0.02 1 1193 125 125 LYS HA H 4.005 0.02 1 1194 125 125 LYS HB2 H 1.691 0.02 2 1195 125 125 LYS HB3 H 1.691 0.02 2 1196 125 125 LYS HG2 H 1.34 0.02 2 1197 125 125 LYS HG3 H 1.34 0.02 2 1198 125 125 LYS HD2 H 1.467 0.02 2 1199 125 125 LYS HD3 H 1.7 0.02 2 1200 125 125 LYS CA C 58.352 0.2 1 1201 125 125 LYS CB C 31.484 0.2 1 1202 125 125 LYS CG C 25.078 0.2 1 1203 125 125 LYS CD C 28.36 0.2 1 1204 125 125 LYS N N 120.249 0.2 1 1205 126 126 VAL H H 7.45 0.02 1 1206 126 126 VAL HA H 3.824 0.02 1 1207 126 126 VAL HB H 2.07 0.02 1 1208 126 126 VAL HG1 H 0.934 0.02 2 1209 126 126 VAL HG2 H 0.934 0.02 2 1210 126 126 VAL C C 178.187 0.2 1 1211 126 126 VAL CA C 66.142 0.2 1 1212 126 126 VAL CB C 31.976 0.2 1 1213 126 126 VAL CG2 C 22.948 0.2 2 1214 126 126 VAL N N 118.608 0.2 1 1215 127 127 ILE H H 8.653 0.02 1 1216 127 127 ILE HA H 3.521 0.02 1 1217 127 127 ILE HB H 2.019 0.02 1 1218 127 127 ILE HG12 H 1.285 0.02 2 1219 127 127 ILE HG13 H 1.484 0.02 2 1220 127 127 ILE HG2 H 0.761 0.02 1 1221 127 127 ILE HD1 H 0.682 0.02 1 1222 127 127 ILE C C 178.008 0.2 1 1223 127 127 ILE CA C 63.283 0.2 1 1224 127 127 ILE CB C 35.369 0.2 1 1225 127 127 ILE CG1 C 27.644 0.2 1 1226 127 127 ILE CG2 C 17.599 0.2 1 1227 127 127 ILE CD1 C 11.639 0.2 1 1228 127 127 ILE N N 121.045 0.2 1 1229 128 128 GLN H H 8.009 0.02 1 1230 128 128 GLN HA H 3.807 0.02 1 1231 128 128 GLN HB2 H 2.078 0.02 2 1232 128 128 GLN HB3 H 2.078 0.02 2 1233 128 128 GLN HG2 H 2.357 0.02 2 1234 128 128 GLN HG3 H 2.285 0.02 2 1235 128 128 GLN C C 178.258 0.2 1 1236 128 128 GLN CA C 58.797 0.2 1 1237 128 128 GLN CB C 27.505 0.2 1 1238 128 128 GLN CG C 34.05 0.2 1 1239 128 128 GLN N N 122.03 0.2 1 1240 129 129 ASP H H 8.428 0.02 1 1241 129 129 ASP HA H 4.33 0.02 1 1242 129 129 ASP HB2 H 2.818 0.02 2 1243 129 129 ASP HB3 H 2.3 0.02 2 1244 129 129 ASP C C 179.705 0.2 1 1245 129 129 ASP CA C 58.062 0.2 1 1246 129 129 ASP CB C 39.777 0.2 1 1247 129 129 ASP N N 119.944 0.2 1 1248 130 130 CYS H H 7.608 0.02 1 1249 130 130 CYS HA H 3.859 0.02 1 1250 130 130 CYS HB2 H 3.556 0.02 2 1251 130 130 CYS HB3 H 2.329 0.02 2 1252 130 130 CYS C C 176.824 0.2 1 1253 130 130 CYS CA C 64.211 0.2 1 1254 130 130 CYS CB C 27.77 0.2 1 1255 130 130 CYS N N 116.456 0.2 1 1256 131 131 GLU H H 8.538 0.02 1 1257 131 131 GLU HA H 3.892 0.02 1 1258 131 131 GLU HB2 H 2.104 0.02 2 1259 131 131 GLU HB3 H 1.977 0.02 2 1260 131 131 GLU HG2 H 2.299 0.02 2 1261 131 131 GLU HG3 H 2.174 0.02 2 1262 131 131 GLU C C 180.904 0.2 1 1263 131 131 GLU CA C 59.01 0.2 1 1264 131 131 GLU CB C 29.418 0.2 1 1265 131 131 GLU CG C 34.976 0.2 1 1266 131 131 GLU N N 124.018 0.2 1 1267 132 132 ASP H H 8.844 0.02 1 1268 132 132 ASP HA H 4.319 0.02 1 1269 132 132 ASP HB2 H 2.665 0.02 2 1270 132 132 ASP HB3 H 2.787 0.02 2 1271 132 132 ASP C C 177.666 0.2 1 1272 132 132 ASP CA C 57.002 0.2 1 1273 132 132 ASP CB C 40.439 0.2 1 1274 132 132 ASP N N 121.978 0.2 1 1275 133 133 GLU H H 6.997 0.02 1 1276 133 133 GLU HA H 4.224 0.02 1 1277 133 133 GLU HB2 H 2.178 0.02 2 1278 133 133 GLU HB3 H 1.683 0.02 2 1279 133 133 GLU HG2 H 2.05 0.02 2 1280 133 133 GLU HG3 H 2.386 0.02 2 1281 133 133 GLU C C 174.841 0.2 1 1282 133 133 GLU CA C 56.298 0.2 1 1283 133 133 GLU CB C 30.266 0.2 1 1284 133 133 GLU CG C 37.724 0.2 1 1285 133 133 GLU N N 117.232 0.2 1 1286 134 134 ASN H H 8.069 0.02 1 1287 134 134 ASN HA H 4.242 0.02 1 1288 134 134 ASN HB2 H 2.951 0.02 2 1289 134 134 ASN HB3 H 2.731 0.02 2 1290 134 134 ASN HD21 H 6.751 0.02 2 1291 134 134 ASN HD22 H 7.424 0.02 2 1292 134 134 ASN C C 174.994 0.2 1 1293 134 134 ASN CA C 54.449 0.2 1 1294 134 134 ASN CB C 37.147 0.2 1 1295 134 134 ASN N N 114.799 0.2 1 1296 134 134 ASN ND2 N 112.355 0.2 1 1297 135 135 ILE H H 7.583 0.02 1 1298 135 135 ILE HA H 3.89 0.02 1 1299 135 135 ILE HB H 1.326 0.02 1 1300 135 135 ILE HG12 H 1.424 0.02 1 1301 135 135 ILE HG13 H 1.424 0.02 1 1302 135 135 ILE HG2 H 0.565 0.02 1 1303 135 135 ILE HD1 H 0.635 0.02 1 1304 135 135 ILE C C 175.226 0.2 1 1305 135 135 ILE CA C 61.286 0.2 1 1306 135 135 ILE CB C 39.056 0.2 1 1307 135 135 ILE CG1 C 27.694 0.2 1 1308 135 135 ILE CG2 C 17.703 0.2 1 1309 135 135 ILE CD1 C 14.575 0.2 1 1310 135 135 ILE N N 119.422 0.2 1 1311 136 136 GLN H H 7.95 0.02 1 1312 136 136 GLN HA H 3.908 0.02 1 1313 136 136 GLN HB2 H 1.971 0.02 2 1314 136 136 GLN HB3 H 1.971 0.02 2 1315 136 136 GLN HG2 H 1.964 0.02 2 1316 136 136 GLN HG3 H 2.165 0.02 2 1317 136 136 GLN C C 174.743 0.2 1 1318 136 136 GLN CA C 56.088 0.2 1 1319 136 136 GLN CB C 29.385 0.2 1 1320 136 136 GLN CG C 33.263 0.2 1 1321 136 136 GLN N N 132.279 0.2 1 1322 137 137 ARG H H 9.182 0.02 1 1323 137 137 ARG HA H 5.425 0.02 1 1324 137 137 ARG HB2 H 1.222 0.02 2 1325 137 137 ARG HB3 H 1.222 0.02 2 1326 137 137 ARG C C 175.598 0.2 1 1327 137 137 ARG CA C 54.853 0.2 1 1328 137 137 ARG CB C 31.12 0.2 1 1329 137 137 ARG N N 125.111 0.2 1 1330 138 138 PHE H H 9.214 0.02 1 1331 138 138 PHE HA H 5.678 0.02 1 1332 138 138 PHE HB2 H 3.039 0.02 2 1333 138 138 PHE HB3 H 3.013 0.02 2 1334 138 138 PHE HD1 H 7.376 0.02 3 1335 138 138 PHE HD2 H 7.376 0.02 3 1336 138 138 PHE HE1 H 7.33 0.02 3 1337 138 138 PHE HE2 H 7.33 0.02 3 1338 138 138 PHE C C 175.241 0.2 1 1339 138 138 PHE CA C 56.641 0.2 1 1340 138 138 PHE CB C 42.394 0.2 1 1341 138 138 PHE CD1 C 131.99 0.2 3 1342 138 138 PHE CE1 C 131.578 0.2 3 1343 138 138 PHE N N 122.243 0.2 1 1344 139 139 SER H H 9.601 0.02 1 1345 139 139 SER HA H 5.592 0.02 1 1346 139 139 SER HB2 H 3.671 0.02 2 1347 139 139 SER HB3 H 3.786 0.02 2 1348 139 139 SER C C 171.137 0.2 1 1349 139 139 SER CA C 55.777 0.2 1 1350 139 139 SER CB C 66.783 0.2 1 1351 139 139 SER N N 118.964 0.2 1 1352 140 140 ILE H H 9.066 0.02 1 1353 140 140 ILE HA H 4.991 0.02 1 1354 140 140 ILE HG2 H -0.054 0.02 1 1355 140 140 ILE HD1 H 0.681 0.02 1 1356 140 140 ILE C C 174.822 0.2 1 1357 140 140 ILE CA C 56.556 0.2 1 1358 140 140 ILE CB C 37.629 0.2 1 1359 140 140 ILE CG2 C 16.01 0.2 1 1360 140 140 ILE CD1 C 11.404 0.2 1 1361 140 140 ILE N N 124.156 0.2 1 1362 141 141 ALA H H 8.79 0.02 1 1363 141 141 ALA HA H 5.03 0.02 1 1364 141 141 ALA HB H 1.418 0.02 1 1365 141 141 ALA C C 177.131 0.2 1 1366 141 141 ALA CA C 51.117 0.2 1 1367 141 141 ALA CB C 21.403 0.2 1 1368 141 141 ALA N N 126.295 0.2 1 1369 142 142 ILE H H 7.973 0.02 1 1370 142 142 ILE HA H 4.359 0.02 1 1371 142 142 ILE HB H 1.325 0.02 1 1372 142 142 ILE HG12 H 1.247 0.02 2 1373 142 142 ILE HG13 H 1.057 0.02 2 1374 142 142 ILE HG2 H 0.794 0.02 1 1375 142 142 ILE HD1 H 0.488 0.02 1 1376 142 142 ILE C C 174.758 0.2 1 1377 142 142 ILE CA C 58.193 0.2 1 1378 142 142 ILE CB C 39.082 0.2 1 1379 142 142 ILE CG1 C 27.588 0.2 1 1380 142 142 ILE CG2 C 16.008 0.2 1 1381 142 142 ILE CD1 C 14.115 0.2 1 1382 142 142 ILE N N 124.664 0.2 1 1383 143 143 LEU H H 8.019 0.02 1 1384 143 143 LEU HA H 4.465 0.02 1 1385 143 143 LEU HB2 H 1.555 0.02 2 1386 143 143 LEU HB3 H 1.629 0.02 2 1387 143 143 LEU HG H 1.556 0.02 1 1388 143 143 LEU HD1 H 0.939 0.02 1 1389 143 143 LEU HD2 H 0.907 0.02 1 1390 143 143 LEU CA C 54.972 0.2 1 1391 143 143 LEU CB C 43.79 0.2 1 1392 143 143 LEU CG C 27.928 0.2 1 1393 143 143 LEU CD1 C 24.193 0.2 2 1394 143 143 LEU CD2 C 25.738 0.2 2 1395 143 143 LEU N N 123.961 0.2 1 1396 144 144 GLY H H 8.581 0.02 1 1397 144 144 GLY HA2 H 4.139 0.02 2 1398 144 144 GLY HA3 H 4.139 0.02 2 1399 144 144 GLY CA C 46.239 0.2 1 1400 144 144 GLY N N 109.913 0.2 1 1401 145 145 SER H H 8.589 0.02 1 1402 145 145 SER HB3 H 4.054 0.02 2 1403 145 145 SER CA C 58.614 0.2 1 1404 145 145 SER CB C 63.966 0.2 1 1405 145 145 SER N N 115.873 0.2 1 1406 146 146 TYR H H 7.476 0.02 1 1407 146 146 TYR HA H 4.564 0.02 1 1408 146 146 TYR HB2 H 3.019 0.02 2 1409 146 146 TYR HB3 H 3.019 0.02 2 1410 146 146 TYR HD1 H 7.089 0.02 3 1411 146 146 TYR HD2 H 7.089 0.02 3 1412 146 146 TYR HE1 H 6.78 0.02 3 1413 146 146 TYR HE2 H 6.78 0.02 3 1414 146 146 TYR CA C 56.684 0.2 1 1415 146 146 TYR CB C 39.174 0.2 1 1416 146 146 TYR CD1 C 133.99 0.2 3 1417 146 146 TYR CE1 C 118.43 0.2 3 1418 146 146 TYR N N 118.169 0.2 1 1419 147 147 ASN HA H 4.512 0.02 1 1420 147 147 ASN HB2 H 2.673 0.02 2 1421 147 147 ASN HB3 H 2.834 0.02 2 1422 147 147 ASN HD21 H 6.946 0.02 2 1423 147 147 ASN HD22 H 7.698 0.02 2 1424 147 147 ASN CA C 53.886 0.2 1 1425 147 147 ASN CB C 38.657 0.2 1 1426 147 147 ASN ND2 N 112.951 0.2 1 1427 148 148 ARG H H 8.404 0.02 1 1428 148 148 ARG HA H 4.307 0.02 1 1429 148 148 ARG HB2 H 1.935 0.02 2 1430 148 148 ARG HB3 H 1.572 0.02 2 1431 148 148 ARG HG2 H 1.548 0.02 2 1432 148 148 ARG HG3 H 1.377 0.02 2 1433 148 148 ARG CA C 55.535 0.2 1 1434 148 148 ARG CB C 30.764 0.2 1 1435 148 148 ARG CG C 25.486 0.2 1 1436 148 148 ARG CD C 42.349 0.2 1 1437 148 148 ARG N N 124.208 0.2 1 1438 149 149 GLY H H 8.224 0.02 1 1439 149 149 GLY HA2 H 3.98 0.02 2 1440 149 149 GLY HA3 H 3.718 0.02 2 1441 149 149 GLY CA C 45.929 0.2 1 1442 149 149 GLY N N 108.259 0.2 1 1443 150 150 ASN H H 8.309 0.02 1 1444 150 150 ASN HA H 4.64 0.02 1 1445 150 150 ASN HB2 H 2.695 0.02 2 1446 150 150 ASN HB3 H 2.81 0.02 2 1447 150 150 ASN C C 175.341 0.2 1 1448 150 150 ASN CA C 53.387 0.2 1 1449 150 150 ASN CB C 38.706 0.2 1 1450 150 150 ASN N N 120.01 0.2 1 1451 151 151 LEU H H 7.929 0.02 1 1452 151 151 LEU HA H 4.247 0.02 1 1453 151 151 LEU HB2 H 1.629 0.02 2 1454 151 151 LEU HB3 H 1.516 0.02 2 1455 151 151 LEU HG H 1.588 0.02 1 1456 151 151 LEU HD1 H 0.828 0.02 2 1457 151 151 LEU HD2 H 0.828 0.02 2 1458 151 151 LEU C C 177.527 0.2 1 1459 151 151 LEU CA C 55.737 0.2 1 1460 151 151 LEU CB C 42.673 0.2 1 1461 151 151 LEU CG C 27.114 0.2 1 1462 151 151 LEU CD1 C 23.965 0.2 2 1463 151 151 LEU CD2 C 23.965 0.2 2 1464 151 151 LEU N N 122.097 0.2 1 1465 152 152 SER H H 8.185 0.02 1 1466 152 152 SER HA H 4.43 0.02 1 1467 152 152 SER HB2 H 3.66 0.02 2 1468 152 152 SER HB3 H 3.753 0.02 2 1469 152 152 SER C C 175.354 0.2 1 1470 152 152 SER CA C 57.739 0.2 1 1471 152 152 SER CB C 63.247 0.2 1 1472 152 152 SER N N 116.245 0.2 1 1473 153 153 THR H H 8.134 0.02 1 1474 153 153 THR HA H 3.886 0.02 1 1475 153 153 THR HB H 4.352 0.02 1 1476 153 153 THR HG2 H 1.186 0.02 1 1477 153 153 THR C C 175.758 0.2 1 1478 153 153 THR CA C 63.577 0.2 1 1479 153 153 THR CB C 69.28 0.2 1 1480 153 153 THR CG2 C 22.115 0.2 1 1481 153 153 THR N N 116.207 0.2 1 1482 154 154 GLU H H 8.342 0.02 1 1483 154 154 GLU HA H 3.88 0.02 1 1484 154 154 GLU HB2 H 1.882 0.02 2 1485 154 154 GLU HB3 H 1.882 0.02 2 1486 154 154 GLU HG2 H 2.161 0.02 2 1487 154 154 GLU HG3 H 2.208 0.02 2 1488 154 154 GLU C C 178.589 0.2 1 1489 154 154 GLU CA C 59.978 0.2 1 1490 154 154 GLU CB C 29.348 0.2 1 1491 154 154 GLU CG C 36.596 0.2 1 1492 154 154 GLU N N 122.421 0.2 1 1493 155 155 LYS H H 7.752 0.02 1 1494 155 155 LYS HA H 3.934 0.02 1 1495 155 155 LYS HB2 H 1.547 0.02 2 1496 155 155 LYS HB3 H 1.644 0.02 2 1497 155 155 LYS HG2 H 1.178 0.02 2 1498 155 155 LYS HG3 H 1.244 0.02 2 1499 155 155 LYS C C 179.039 0.2 1 1500 155 155 LYS CA C 58.776 0.2 1 1501 155 155 LYS CB C 31.843 0.2 1 1502 155 155 LYS CG C 24.774 0.2 1 1503 155 155 LYS N N 118.393 0.2 1 1504 156 156 PHE H H 7.072 0.02 1 1505 156 156 PHE HA H 4.846 0.02 1 1506 156 156 PHE HB2 H 3.121 0.02 2 1507 156 156 PHE HB3 H 3.879 0.02 2 1508 156 156 PHE HD1 H 7.079 0.02 3 1509 156 156 PHE HD2 H 7.079 0.02 3 1510 156 156 PHE C C 178.765 0.2 1 1511 156 156 PHE CA C 57.339 0.2 1 1512 156 156 PHE CB C 37.037 0.2 1 1513 156 156 PHE CD1 C 130.914 0.2 3 1514 156 156 PHE CD2 C 130.91 0.2 3 1515 156 156 PHE N N 121.174 0.2 1 1516 157 157 VAL H H 8.007 0.02 1 1517 157 157 VAL HA H 3.405 0.02 1 1518 157 157 VAL HB H 2.046 0.02 1 1519 157 157 VAL HG1 H 0.841 0.02 2 1520 157 157 VAL HG2 H 1.056 0.02 2 1521 157 157 VAL C C 177.861 0.2 1 1522 157 157 VAL CA C 67.455 0.2 1 1523 157 157 VAL CB C 31.863 0.2 1 1524 157 157 VAL CG1 C 21.655 0.2 2 1525 157 157 VAL CG2 C 24.045 0.2 2 1526 157 157 VAL N N 119.188 0.2 1 1527 158 158 GLU H H 7.875 0.02 1 1528 158 158 GLU HA H 3.677 0.02 1 1529 158 158 GLU HB2 H 1.974 0.02 2 1530 158 158 GLU HB3 H 1.974 0.02 2 1531 158 158 GLU HG2 H 2.156 0.02 2 1532 158 158 GLU HG3 H 2.247 0.02 2 1533 158 158 GLU C C 179.377 0.2 1 1534 158 158 GLU CA C 59.491 0.2 1 1535 158 158 GLU CB C 29.346 0.2 1 1536 158 158 GLU CG C 36.404 0.2 1 1537 158 158 GLU N N 118.02 0.2 1 1538 159 159 GLU H H 7.746 0.02 1 1539 159 159 GLU HA H 3.9 0.02 1 1540 159 159 GLU HB2 H 1.969 0.02 2 1541 159 159 GLU HB3 H 1.882 0.02 2 1542 159 159 GLU HG2 H 2.162 0.02 2 1543 159 159 GLU HG3 H 2.202 0.02 2 1544 159 159 GLU C C 179.622 0.2 1 1545 159 159 GLU CA C 60.351 0.2 1 1546 159 159 GLU CB C 29.359 0.2 1 1547 159 159 GLU CG C 36.547 0.2 1 1548 159 159 GLU N N 120.879 0.2 1 1549 160 160 ILE H H 8.094 0.02 1 1550 160 160 ILE HA H 3.366 0.02 1 1551 160 160 ILE HB H 1.777 0.02 1 1552 160 160 ILE HG12 H 1.394 0.02 2 1553 160 160 ILE HG13 H 1.565 0.02 2 1554 160 160 ILE HG2 H 0.978 0.02 1 1555 160 160 ILE HD1 H 0.761 0.02 1 1556 160 160 ILE C C 180.262 0.2 1 1557 160 160 ILE CA C 66.305 0.2 1 1558 160 160 ILE CB C 39.319 0.2 1 1559 160 160 ILE CG1 C 25.759 0.2 1 1560 160 160 ILE CG2 C 18.689 0.2 1 1561 160 160 ILE CD1 C 14.967 0.2 1 1562 160 160 ILE N N 120.45 0.2 1 1563 161 161 LYS H H 8.5 0.02 1 1564 161 161 LYS HA H 3.09 0.02 1 1565 161 161 LYS HB2 H 1.304 0.02 2 1566 161 161 LYS HB3 H 1.092 0.02 2 1567 161 161 LYS HG2 H 0.506 0.02 2 1568 161 161 LYS HG3 H 0.188 0.02 2 1569 161 161 LYS HD2 H 1.194 0.02 2 1570 161 161 LYS HD3 H 1.194 0.02 2 1571 161 161 LYS HE2 H 2.335 0.02 2 1572 161 161 LYS HE3 H 2.49 0.02 2 1573 161 161 LYS C C 178.518 0.2 1 1574 161 161 LYS CA C 60.656 0.2 1 1575 161 161 LYS CB C 32.601 0.2 1 1576 161 161 LYS CG C 25.082 0.2 1 1577 161 161 LYS CD C 29.809 0.2 1 1578 161 161 LYS CE C 42 0.2 1 1579 161 161 LYS N N 122.357 0.2 1 1580 162 162 SER H H 7.653 0.02 1 1581 162 162 SER HA H 4.087 0.02 1 1582 162 162 SER HB2 H 3.807 0.02 2 1583 162 162 SER HB3 H 3.932 0.02 2 1584 162 162 SER C C 174.773 0.2 1 1585 162 162 SER CA C 61.208 0.2 1 1586 162 162 SER CB C 62.725 0.2 1 1587 162 162 SER N N 114.3 0.2 1 1588 163 163 ILE H H 7.068 0.02 1 1589 163 163 ILE HA H 3.56 0.02 1 1590 163 163 ILE HB H 1.864 0.02 1 1591 163 163 ILE HG2 H 0.79 0.02 1 1592 163 163 ILE HD1 H 0.771 0.02 1 1593 163 163 ILE C C 175.371 0.2 1 1594 163 163 ILE CA C 62.854 0.2 1 1595 163 163 ILE CB C 39.637 0.2 1 1596 163 163 ILE CG2 C 18.939 0.2 1 1597 163 163 ILE CD1 C 14.384 0.2 1 1598 163 163 ILE N N 122.035 0.2 1 1599 164 164 ALA H H 6.801 0.02 1 1600 164 164 ALA HA H 3.729 0.02 1 1601 164 164 ALA HB H 1.589 0.02 1 1602 164 164 ALA C C 178.713 0.2 1 1603 164 164 ALA CA C 52.553 0.2 1 1604 164 164 ALA CB C 19.82 0.2 1 1605 164 164 ALA N N 121.252 0.2 1 1606 165 165 SER H H 8.656 0.02 1 1607 165 165 SER HA H 3.891 0.02 1 1608 165 165 SER HB2 H 1.993 0.02 2 1609 165 165 SER HB3 H 3.276 0.02 2 1610 165 165 SER C C 171.079 0.2 1 1611 165 165 SER CA C 61.464 0.2 1 1612 165 165 SER CB C 61.858 0.2 1 1613 165 165 SER N N 121.879 0.2 1 1614 166 166 GLU H H 7.949 0.02 1 1615 166 166 GLU HA H 4.309 0.02 1 1616 166 166 GLU HB2 H 1.855 0.02 2 1617 166 166 GLU HB3 H 1.688 0.02 2 1618 166 166 GLU HG2 H 2.201 0.02 2 1619 166 166 GLU HG3 H 2.09 0.02 2 1620 166 166 GLU CA C 54.147 0.2 1 1621 166 166 GLU CB C 30.057 0.2 1 1622 166 166 GLU CG C 36.463 0.2 1 1623 166 166 GLU N N 117.348 0.2 1 1624 167 167 PRO HA H 4.941 0.02 1 1625 167 167 PRO HB2 H 2.515 0.02 2 1626 167 167 PRO HB3 H 2.156 0.02 2 1627 167 167 PRO HG2 H 1.933 0.02 2 1628 167 167 PRO HG3 H 2.014 0.02 2 1629 167 167 PRO HD2 H 3.68 0.02 2 1630 167 167 PRO HD3 H 3.53 0.02 2 1631 167 167 PRO CA C 61.784 0.2 1 1632 167 167 PRO CB C 34.469 0.2 1 1633 167 167 PRO CG C 25.838 0.2 1 1634 167 167 PRO CD C 51.05 0.2 1 1635 168 168 THR HA H 3.975 0.02 1 1636 168 168 THR HB H 3.919 0.02 1 1637 168 168 THR HG2 H 1.13 0.02 1 1638 168 168 THR C C 176.433 0.2 1 1639 168 168 THR CA C 67.606 0.2 1 1640 168 168 THR CB C 69.086 0.2 1 1641 168 168 THR CG2 C 22.633 0.2 1 1642 169 169 GLU H H 9.598 0.02 1 1643 169 169 GLU HA H 4.227 0.02 1 1644 169 169 GLU HB2 H 2.011 0.02 2 1645 169 169 GLU HB3 H 2.011 0.02 2 1646 169 169 GLU HG2 H 2.273 0.02 2 1647 169 169 GLU HG3 H 2.196 0.02 2 1648 169 169 GLU C C 177.434 0.2 1 1649 169 169 GLU CA C 58.949 0.2 1 1650 169 169 GLU CB C 28.571 0.2 1 1651 169 169 GLU CG C 36.545 0.2 1 1652 169 169 GLU N N 119.036 0.2 1 1653 170 170 LYS H H 7.3 0.02 1 1654 170 170 LYS HA H 4.322 0.02 1 1655 170 170 LYS HB2 H 1.88 0.02 2 1656 170 170 LYS HB3 H 1.263 0.02 2 1657 170 170 LYS HG2 H 1.213 0.02 2 1658 170 170 LYS HG3 H 1.325 0.02 2 1659 170 170 LYS C C 173.967 0.2 1 1660 170 170 LYS CA C 56.221 0.2 1 1661 170 170 LYS CB C 33.814 0.2 1 1662 170 170 LYS CG C 26.304 0.2 1 1663 170 170 LYS N N 115.885 0.2 1 1664 171 171 HIS H H 7.198 0.02 1 1665 171 171 HIS HA H 5.063 0.02 1 1666 171 171 HIS HB2 H 3.929 0.02 2 1667 171 171 HIS HB3 H 2.813 0.02 2 1668 171 171 HIS C C 171.86 0.2 1 1669 171 171 HIS CA C 57.84 0.2 1 1670 171 171 HIS CB C 33.695 0.2 1 1671 171 171 HIS N N 112.937 0.2 1 1672 172 172 PHE H H 7.342 0.02 1 1673 172 172 PHE HA H 5.876 0.02 1 1674 172 172 PHE HB2 H 2.623 0.02 2 1675 172 172 PHE HB3 H 2.729 0.02 2 1676 172 172 PHE HD1 H 7.063 0.02 3 1677 172 172 PHE HD2 H 7.063 0.02 3 1678 172 172 PHE C C 172.383 0.2 1 1679 172 172 PHE CA C 55.21 0.2 1 1680 172 172 PHE CB C 41.412 0.2 1 1681 172 172 PHE CD1 C 132.41 0.2 3 1682 172 172 PHE CD2 C 132.413 0.2 3 1683 172 172 PHE N N 122.108 0.2 1 1684 173 173 PHE H H 8.012 0.02 1 1685 173 173 PHE HA H 4.192 0.02 1 1686 173 173 PHE HB2 H 3.082 0.02 2 1687 173 173 PHE HB3 H 2.166 0.02 2 1688 173 173 PHE HD1 H 6.98 0.02 3 1689 173 173 PHE HD2 H 6.98 0.02 3 1690 173 173 PHE C C 173.751 0.2 1 1691 173 173 PHE CA C 55.895 0.2 1 1692 173 173 PHE CB C 45.217 0.2 1 1693 173 173 PHE CD1 C 132.16 0.2 3 1694 173 173 PHE N N 121.775 0.2 1 1695 174 174 ASN H H 8.76 0.02 1 1696 174 174 ASN HA H 4.831 0.02 1 1697 174 174 ASN HB2 H 2.665 0.02 2 1698 174 174 ASN HB3 H 2.577 0.02 2 1699 174 174 ASN C C 176.826 0.2 1 1700 174 174 ASN CA C 53.298 0.2 1 1701 174 174 ASN CB C 40.549 0.2 1 1702 174 174 ASN N N 119.544 0.2 1 1703 175 175 VAL H H 8.349 0.02 1 1704 175 175 VAL HA H 3.341 0.02 1 1705 175 175 VAL HB H 1.581 0.02 1 1706 175 175 VAL HG1 H 0.529 0.02 2 1707 175 175 VAL HG2 H 0.761 0.02 2 1708 175 175 VAL C C 174.743 0.2 1 1709 175 175 VAL CA C 64.542 0.2 1 1710 175 175 VAL CB C 32.081 0.2 1 1711 175 175 VAL CG1 C 21.789 0.2 2 1712 175 175 VAL CG2 C 20.273 0.2 2 1713 175 175 VAL N N 123.699 0.2 1 1714 176 176 SER H H 7.933 0.02 1 1715 176 176 SER HA H 4.335 0.02 1 1716 176 176 SER HB2 H 3.931 0.02 2 1717 176 176 SER HB3 H 3.757 0.02 2 1718 176 176 SER C C 174.583 0.2 1 1719 176 176 SER CA C 57.972 0.2 1 1720 176 176 SER CB C 63.722 0.2 1 1721 176 176 SER N N 112.903 0.2 1 1722 177 177 ASP H H 7.696 0.02 1 1723 177 177 ASP HA H 4.518 0.02 1 1724 177 177 ASP HB2 H 3.119 0.02 2 1725 177 177 ASP HB3 H 2.781 0.02 2 1726 177 177 ASP C C 178.008 0.2 1 1727 177 177 ASP CA C 54.315 0.2 1 1728 177 177 ASP CB C 41.687 0.2 1 1729 177 177 ASP N N 123.241 0.2 1 1730 178 178 GLU H H 9.211 0.02 1 1731 178 178 GLU HA H 4.035 0.02 1 1732 178 178 GLU HB2 H 2.031 0.02 2 1733 178 178 GLU HB3 H 2.031 0.02 2 1734 178 178 GLU HG2 H 2.276 0.02 2 1735 178 178 GLU HG3 H 2.276 0.02 2 1736 178 178 GLU C C 177.787 0.2 1 1737 178 178 GLU CA C 59.124 0.2 1 1738 178 178 GLU CB C 29.724 0.2 1 1739 178 178 GLU CG C 36.28 0.2 1 1740 178 178 GLU N N 129.53 0.2 1 1741 179 179 LEU H H 8.683 0.02 1 1742 179 179 LEU HA H 4.296 0.02 1 1743 179 179 LEU HB2 H 1.777 0.02 2 1744 179 179 LEU HB3 H 1.451 0.02 2 1745 179 179 LEU HG H 1.569 0.02 1 1746 179 179 LEU HD1 H 0.772 0.02 2 1747 179 179 LEU HD2 H 0.907 0.02 2 1748 179 179 LEU C C 178.646 0.2 1 1749 179 179 LEU CA C 55.075 0.2 1 1750 179 179 LEU CB C 41.784 0.2 1 1751 179 179 LEU CG C 27.259 0.2 1 1752 179 179 LEU CD1 C 23.149 0.2 2 1753 179 179 LEU CD2 C 21.746 0.2 2 1754 179 179 LEU N N 118.452 0.2 1 1755 180 180 ALA H H 7.627 0.02 1 1756 180 180 ALA HA H 3.014 0.02 1 1757 180 180 ALA HB H 1.192 0.02 1 1758 180 180 ALA C C 178.175 0.2 1 1759 180 180 ALA CA C 55.957 0.2 1 1760 180 180 ALA CB C 19.321 0.2 1 1761 180 180 ALA N N 124.307 0.2 1 1762 181 181 LEU H H 7.638 0.02 1 1763 181 181 LEU HA H 3.515 0.02 1 1764 181 181 LEU HB2 H 1.662 0.02 2 1765 181 181 LEU HB3 H 1.016 0.02 2 1766 181 181 LEU HG H 1.52 0.02 1 1767 181 181 LEU HD1 H 0.426 0.02 2 1768 181 181 LEU HD2 H 0.606 0.02 2 1769 181 181 LEU C C 178.681 0.2 1 1770 181 181 LEU CA C 58.132 0.2 1 1771 181 181 LEU CB C 41.138 0.2 1 1772 181 181 LEU CG C 27.359 0.2 1 1773 181 181 LEU CD1 C 24.252 0.2 2 1774 181 181 LEU CD2 C 26.106 0.2 2 1775 181 181 LEU N N 115.295 0.2 1 1776 182 182 VAL H H 7.448 0.02 1 1777 182 182 VAL HA H 3.504 0.02 1 1778 182 182 VAL HB H 1.918 0.02 1 1779 182 182 VAL HG1 H 0.843 0.02 2 1780 182 182 VAL HG2 H 0.843 0.02 2 1781 182 182 VAL C C 178.401 0.2 1 1782 182 182 VAL CA C 65.175 0.2 1 1783 182 182 VAL CB C 31.975 0.2 1 1784 182 182 VAL CG2 C 21.345 0.2 2 1785 182 182 VAL N N 114.603 0.2 1 1786 183 183 THR H H 7.527 0.02 1 1787 183 183 THR HA H 3.807 0.02 1 1788 183 183 THR HB H 3.921 0.02 1 1789 183 183 THR HG2 H 1.385 0.02 1 1790 183 183 THR C C 176.701 0.2 1 1791 183 183 THR CA C 66.999 0.2 1 1792 183 183 THR CB C 67.885 0.2 1 1793 183 183 THR CG2 C 22.698 0.2 1 1794 183 183 THR N N 117.001 0.2 1 1795 184 184 ILE H H 8.406 0.02 1 1796 184 184 ILE HA H 3.244 0.02 1 1797 184 184 ILE HB H 1.294 0.02 1 1798 184 184 ILE HG12 H 1.165 0.02 2 1799 184 184 ILE HG13 H 0.367 0.02 2 1800 184 184 ILE HG2 H -0.066 0.02 1 1801 184 184 ILE HD1 H 0.403 0.02 1 1802 184 184 ILE C C 177.072 0.2 1 1803 184 184 ILE CA C 66.514 0.2 1 1804 184 184 ILE CB C 38.229 0.2 1 1805 184 184 ILE CG1 C 29.614 0.2 1 1806 184 184 ILE CG2 C 15.401 0.2 1 1807 184 184 ILE CD1 C 13.928 0.2 1 1808 184 184 ILE N N 125.077 0.2 1 1809 185 185 VAL H H 7.429 0.02 1 1810 185 185 VAL HA H 3.291 0.02 1 1811 185 185 VAL HB H 1.923 0.02 1 1812 185 185 VAL HG1 H 0.775 0.02 2 1813 185 185 VAL HG2 H 0.778 0.02 2 1814 185 185 VAL C C 178.544 0.2 1 1815 185 185 VAL CA C 67.002 0.2 1 1816 185 185 VAL CB C 31.006 0.2 1 1817 185 185 VAL CG1 C 21.596 0.2 2 1818 185 185 VAL CG2 C 23.137 0.2 2 1819 185 185 VAL N N 116.085 0.2 1 1820 186 186 LYS H H 7.659 0.02 1 1821 186 186 LYS HA H 3.994 0.02 1 1822 186 186 LYS HB2 H 1.879 0.02 2 1823 186 186 LYS HB3 H 1.879 0.02 2 1824 186 186 LYS HG2 H 1.385 0.02 2 1825 186 186 LYS HG3 H 1.467 0.02 2 1826 186 186 LYS C C 179.109 0.2 1 1827 186 186 LYS CA C 59.496 0.2 1 1828 186 186 LYS CB C 32.866 0.2 1 1829 186 186 LYS CG C 25.354 0.2 1 1830 186 186 LYS N N 120.246 0.2 1 1831 187 187 THR H H 8.377 0.02 1 1832 187 187 THR HA H 3.91 0.02 1 1833 187 187 THR HB H 4.367 0.02 1 1834 187 187 THR HG2 H 1.047 0.02 1 1835 187 187 THR C C 177.056 0.2 1 1836 187 187 THR CA C 66.358 0.2 1 1837 187 187 THR CB C 69.105 0.2 1 1838 187 187 THR CG2 C 22.382 0.2 1 1839 187 187 THR N N 117.502 0.2 1 1840 188 188 LEU H H 8.262 0.02 1 1841 188 188 LEU HA H 4.112 0.02 1 1842 188 188 LEU HB2 H 1.808 0.02 2 1843 188 188 LEU HB3 H 1.319 0.02 2 1844 188 188 LEU HG H 1.721 0.02 1 1845 188 188 LEU HD1 H 0.49 0.02 2 1846 188 188 LEU HD2 H 0.781 0.02 2 1847 188 188 LEU C C 178.177 0.2 1 1848 188 188 LEU CA C 57.524 0.2 1 1849 188 188 LEU CB C 42.316 0.2 1 1850 188 188 LEU CG C 26.457 0.2 1 1851 188 188 LEU CD1 C 26.06 0.2 2 1852 188 188 LEU CD2 C 24.673 0.2 2 1853 188 188 LEU N N 122.389 0.2 1 1854 189 189 GLY H H 7.898 0.02 1 1855 189 189 GLY HA2 H 4.048 0.02 2 1856 189 189 GLY HA3 H 3.838 0.02 2 1857 189 189 GLY C C 174.4 0.2 1 1858 189 189 GLY CA C 45.967 0.2 1 1859 189 189 GLY N N 105.575 0.2 1 1860 190 190 GLU H H 7.63 0.02 1 1861 190 190 GLU HA H 4.218 0.02 1 1862 190 190 GLU HB2 H 2.03 0.02 2 1863 190 190 GLU HB3 H 2.03 0.02 2 1864 190 190 GLU HG2 H 2.423 0.02 2 1865 190 190 GLU HG3 H 2.208 0.02 2 1866 190 190 GLU C C 176.344 0.2 1 1867 190 190 GLU CA C 56.871 0.2 1 1868 190 190 GLU CB C 30.653 0.2 1 1869 190 190 GLU CG C 36.881 0.2 1 1870 190 190 GLU N N 120.35 0.2 1 1871 191 191 ARG H H 8.126 0.02 1 1872 191 191 ARG HA H 4.363 0.02 1 1873 191 191 ARG HB2 H 1.733 0.02 2 1874 191 191 ARG HB3 H 1.834 0.02 2 1875 191 191 ARG HG2 H 1.601 0.02 2 1876 191 191 ARG HG3 H 1.601 0.02 2 1877 191 191 ARG HD2 H 3.151 0.02 2 1878 191 191 ARG HD3 H 3.151 0.02 2 1879 191 191 ARG C C 175.205 0.2 1 1880 191 191 ARG CA C 56.061 0.2 1 1881 191 191 ARG CB C 30.856 0.2 1 1882 191 191 ARG CG C 27.158 0.2 1 1883 191 191 ARG CD C 43.597 0.2 1 1884 191 191 ARG N N 122.111 0.2 1 1885 192 192 ILE H H 7.728 0.02 1 1886 192 192 ILE HA H 4.018 0.02 1 1887 192 192 ILE HB H 1.778 0.02 1 1888 192 192 ILE HG12 H 1.092 0.02 2 1889 192 192 ILE HG13 H 1.36 0.02 2 1890 192 192 ILE HG2 H 0.835 0.02 1 1891 192 192 ILE HD1 H 0.805 0.02 1 1892 192 192 ILE CA C 62.977 0.2 1 1893 192 192 ILE CB C 39.843 0.2 1 1894 192 192 ILE CG1 C 27.61 0.2 1 1895 192 192 ILE CG2 C 18.396 0.2 1 1896 192 192 ILE CD1 C 14.104 0.2 1 1897 192 192 ILE N N 126.861 0.2 1 stop_ save_