data_4565 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments for a truncated and inhibited catalytic domain of matrix metalloproteinase-2 ; _BMRB_accession_number 4565 _BMRB_flat_file_name bmr4565.str _Entry_type original _Submission_date 1999-12-16 _Accession_date 1999-12-17 _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 Feng Yiqing . . 2 Likos John J. . 3 Zhu Leiming . . 4 Woodward Harry . . 5 McDonald Joseph . . 6 Stevens Anna M. . 7 Howard Susan C. . 8 Welsch Dean J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 803 "13C chemical shifts" 610 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-06-19 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments for a truncated and inhibited catalytic domain of matrix metalloproteinase-2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feng Yiqing . . 2 Likos John J. . 3 Zhu Leiming . . 4 Woodward Harold . . 5 McDonald Joseph . . 6 Stevens Anna M. . 7 Howard Susan C. . 8 Welsch Dean J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 17 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 85 _Page_last 86 _Year 2000 _Details . loop_ _Keyword NMR 'nuclear magnetic resonance' protein 'protein-ligand interaction' 'resonance assignments' mmp mmp2 'matrix metalloproteinase' gelatinase stop_ save_ ################################## # Molecular system description # ################################## save_system_mmp2 _Saveframe_category molecular_system _Mol_system_name 'truncated catalytic domain of matrix metalloproteinase-2' _Abbreviation_common mmp2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mmp2 $mmp2 inhibitor $I52 stop_ _System_molecular_weight 19072 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mmp2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mmp2 _Abbreviation_common mmp2 _Molecular_mass 18461 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; MYNFFPRKPKWDKNQITYRI IGYTPDLDPETVDDAFARAF QVWSDVTPLRFSRIHDGEAD IMINFGRWEHGDGYPFDGKD GLLAHAFAPGTGVGGDSHFD DDELWTNTSANYSLFLVAAH EFGHAMGLEHSQDPGALMAP IYTYTKNFRLSQDDIKGIQE LYG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 TYR 3 ASN 4 PHE 5 PHE 6 PRO 7 ARG 8 LYS 9 PRO 10 LYS 11 TRP 12 ASP 13 LYS 14 ASN 15 GLN 16 ILE 17 THR 18 TYR 19 ARG 20 ILE 21 ILE 22 GLY 23 TYR 24 THR 25 PRO 26 ASP 27 LEU 28 ASP 29 PRO 30 GLU 31 THR 32 VAL 33 ASP 34 ASP 35 ALA 36 PHE 37 ALA 38 ARG 39 ALA 40 PHE 41 GLN 42 VAL 43 TRP 44 SER 45 ASP 46 VAL 47 THR 48 PRO 49 LEU 50 ARG 51 PHE 52 SER 53 ARG 54 ILE 55 HIS 56 ASP 57 GLY 58 GLU 59 ALA 60 ASP 61 ILE 62 MET 63 ILE 64 ASN 65 PHE 66 GLY 67 ARG 68 TRP 69 GLU 70 HIS 71 GLY 72 ASP 73 GLY 74 TYR 75 PRO 76 PHE 77 ASP 78 GLY 79 LYS 80 ASP 81 GLY 82 LEU 83 LEU 84 ALA 85 HIS 86 ALA 87 PHE 88 ALA 89 PRO 90 GLY 91 THR 92 GLY 93 VAL 94 GLY 95 GLY 96 ASP 97 SER 98 HIS 99 PHE 100 ASP 101 ASP 102 ASP 103 GLU 104 LEU 105 TRP 106 THR 107 ASN 108 THR 109 SER 110 ALA 111 ASN 112 TYR 113 SER 114 LEU 115 PHE 116 LEU 117 VAL 118 ALA 119 ALA 120 HIS 121 GLU 122 PHE 123 GLY 124 HIS 125 ALA 126 MET 127 GLY 128 LEU 129 GLU 130 HIS 131 SER 132 GLN 133 ASP 134 PRO 135 GLY 136 ALA 137 LEU 138 MET 139 ALA 140 PRO 141 ILE 142 TYR 143 THR 144 TYR 145 THR 146 LYS 147 ASN 148 PHE 149 ARG 150 LEU 151 SER 152 GLN 153 ASP 154 ASP 155 ILE 156 LYS 157 GLY 158 ILE 159 GLN 160 GLU 161 LEU 162 TYR 163 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1HOV "Solution Structure Of A Catalytic Domain Of Mmp-2 Complexed With Sc-74020" 100.00 163 100.00 100.00 3.42e-116 GB AAD26635 "matrix metalloproteinase-2 precursor [Canis lupus familiaris]" 58.28 152 98.95 98.95 2.23e-60 GB EAW82825 "matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase), isoform CRA_b [Homo sapiens]" 53.99 241 98.86 98.86 6.18e-57 stop_ save_ ############# # Ligands # ############# save_I52 _Saveframe_category ligand _Mol_type non-polymer _Name_common "I52 (N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE)" _BMRB_code . _PDB_code I52 _Molecular_mass 574.732 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 09:52:14 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C38 C38 C . 0 . ? C39 C39 C . 0 . ? C37 C37 C . 0 . ? C35 C35 C . 0 . ? C36 C36 C . 0 . ? C25 C25 C . 0 . ? C24 C24 C . 0 . ? N8 N8 N . 0 . ? C7 C7 C . 0 . ? C9 C9 C . 0 . ? C13 C13 C . 0 . ? O11 O11 O . 0 . ? C12 C12 C . 0 . ? C10 C10 C . 0 . ? C31 C31 C . 0 . ? C23 C23 C . 0 . ? O26 O26 O . 0 . ? C4 C4 C . 0 . ? C6 C6 C . 0 . ? S14 S14 S . 0 . ? N5 N5 N . 0 . ? C3 C3 C . 0 . ? O1 O1 O . 0 . ? N2 N2 N . 0 . ? O21 O21 O . 0 . ? O41 O41 O . 0 . ? C28 C28 C . 0 . ? N27 N27 N . 0 . ? C29 C29 C . 0 . ? C33 C33 C . 0 . ? C34 C34 C . 0 . ? C30 C30 C . 0 . ? C32 C32 C . 0 . ? C16 C16 C . 0 . ? C18 C18 C . 0 . ? C15 C15 C . 0 . ? O22 O22 O . 0 . ? C20 C20 C . 0 . ? C17 C17 C . 0 . ? C19 C19 C . 0 . ? H381 H381 H . 0 . ? H382 H382 H . 0 . ? H391 H391 H . 0 . ? H392 H392 H . 0 . ? H393 H393 H . 0 . ? H371 H371 H . 0 . ? H372 H372 H . 0 . ? H351 H351 H . 0 . ? H352 H352 H . 0 . ? H361 H361 H . 0 . ? H362 H362 H . 0 . ? H251 H251 H . 0 . ? H252 H252 H . 0 . ? H253 H253 H . 0 . ? H241 H241 H . 0 . ? H242 H242 H . 0 . ? H243 H243 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H31 H31 H . 0 . ? H23 H23 H . 0 . ? H4 H4 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H27 H27 H . 0 . ? H33 H33 H . 0 . ? H34 H34 H . 0 . ? H30 H30 H . 0 . ? H16 H16 H . 0 . ? H20 H20 H . 0 . ? H17 H17 H . 0 . ? H19 H19 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 C38 C39 ? ? SING C38 C37 ? ? SING C38 H381 ? ? SING C38 H382 ? ? SING C39 H391 ? ? SING C39 H392 ? ? SING C39 H393 ? ? SING C37 C36 ? ? SING C37 H371 ? ? SING C37 H372 ? ? SING C35 C36 ? ? SING C35 C32 ? ? SING C35 H351 ? ? SING C35 H352 ? ? SING C36 H361 ? ? SING C36 H362 ? ? SING C25 C23 ? ? SING C25 H251 ? ? SING C25 H252 ? ? SING C25 H253 ? ? SING C24 C23 ? ? SING C24 H241 ? ? SING C24 H242 ? ? SING C24 H243 ? ? SING N8 C7 ? ? SING N8 C9 ? ? SING N8 C13 ? ? SING C7 C6 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C9 C10 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C13 C12 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING O11 C12 ? ? SING O11 C10 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C10 H101 ? ? SING C10 H102 ? ? DOUB C31 C30 ? ? SING C31 C32 ? ? SING C31 H31 ? ? SING C23 C4 ? ? SING C23 H23 ? ? DOUB O26 C3 ? ? SING C4 N5 ? ? SING C4 C3 ? ? SING C4 H4 ? ? SING C6 N5 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING S14 N5 ? ? DOUB S14 O21 ? ? SING S14 C15 ? ? DOUB S14 O22 ? ? SING C3 N2 ? ? SING O1 N2 ? ? SING O1 H1 ? ? SING N2 H2 ? ? DOUB O41 C28 ? ? SING C28 N27 ? ? SING C28 C29 ? ? SING N27 C18 ? ? SING N27 H27 ? ? DOUB C29 C34 ? ? SING C29 C30 ? ? SING C33 C34 ? ? DOUB C33 C32 ? ? SING C33 H33 ? ? SING C34 H34 ? ? SING C30 H30 ? ? DOUB C16 C15 ? ? SING C16 C17 ? ? SING C16 H16 ? ? DOUB C18 C17 ? ? SING C18 C19 ? ? SING C15 C20 ? ? DOUB C20 C19 ? ? SING C20 H20 ? ? SING C17 H17 ? ? SING C19 H19 ? ? 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 $mmp2 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $mmp2 'recombinant technology' 'E. coli' . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $mmp2 0.35 mM 0.3 0.4 '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer . _Model . _Field_strength . _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.1 pH temperature 303 . K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_set_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 TSP H 1 'methyl protons' ppm 0 internal direct . . . . 'liquid ammonia' N 15 protons ppm 0 . indirect . . . 0.10132900 DSS C 13 'methyl protons' ppm 0 . indirect . . . 0.25144954 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_chemical_shifts_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_set_1 _Chem_shift_reference_set_label $chemical_shift_reference_set_1 _Mol_system_component_name mmp2 _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 . 6 PRO CA C 62.90 . 1 2 . 6 PRO HA H 4.50 . 1 3 . 6 PRO CB C 31.89 . 1 4 . 6 PRO HB3 H 2.21 . 2 5 . 6 PRO HB2 H 2.13 . 2 6 . 6 PRO CG C 26.89 . 1 7 . 6 PRO HG3 H 2.00 . 1 8 . 6 PRO HG2 H 2.00 . 1 9 . 6 PRO CD C 49.96 . 1 10 . 6 PRO HD2 H 3.62 . 2 11 . 6 PRO HD3 H 3.31 . 2 12 . 6 PRO C C 176.09 . 1 13 . 7 ARG N N 121.94 . 1 14 . 7 ARG H H 8.25 . 1 15 . 7 ARG CA C 55.55 . 1 16 . 7 ARG HA H 4.29 . 1 17 . 7 ARG CB C 30.75 . 1 18 . 7 ARG HB3 H 1.73 . 1 19 . 7 ARG HB2 H 1.73 . 1 20 . 7 ARG CG C 26.86 . 1 21 . 7 ARG HG3 H 1.59 . 1 22 . 7 ARG HG2 H 1.59 . 1 23 . 7 ARG CD C 43.09 . 1 24 . 7 ARG HD3 H 3.16 . 1 25 . 7 ARG HD2 H 3.16 . 1 26 . 7 ARG C C 175.87 . 1 27 . 8 LYS N N 123.98 . 1 28 . 8 LYS H H 8.13 . 1 29 . 8 LYS CA C 53.72 . 1 30 . 8 LYS HA H 4.53 . 1 31 . 8 LYS CB C 32.29 . 1 32 . 8 LYS HB3 H 1.78 . 2 33 . 8 LYS HB2 H 1.50 . 2 34 . 8 LYS HG3 H 1.36 . 1 35 . 8 LYS HG2 H 1.36 . 1 36 . 8 LYS C C 174.12 . 1 37 . 9 PRO CA C 63.09 . 1 38 . 9 PRO HA H 4.23 . 1 39 . 9 PRO CB C 32.17 . 1 40 . 9 PRO HB3 H 1.68 . 2 41 . 9 PRO HB2 H 2.08 . 2 42 . 9 PRO CG C 27.09 . 1 43 . 9 PRO HG3 H 1.97 . 2 44 . 9 PRO HG2 H 1.85 . 2 45 . 9 PRO CD C 50.27 . 1 46 . 9 PRO HD2 H 3.60 . 1 47 . 9 PRO HD3 H 3.60 . 1 48 . 9 PRO C C 174.21 . 1 49 . 10 LYS N N 113.50 . 1 50 . 10 LYS H H 7.30 . 1 51 . 10 LYS CA C 54.20 . 1 52 . 10 LYS HA H 4.43 . 1 53 . 10 LYS CB C 34.25 . 1 54 . 10 LYS HB3 H 1.61 . 1 55 . 10 LYS HB2 H 1.61 . 1 56 . 10 LYS CG C 21.68 . 1 57 . 10 LYS HG3 H 0.90 . 2 58 . 10 LYS HG2 H 1.29 . 2 59 . 10 LYS CD C 29.24 . 1 60 . 10 LYS HD3 H 1.26 . 2 61 . 10 LYS HD2 H 1.50 . 2 62 . 10 LYS CE C 41.92 . 1 63 . 10 LYS HE3 H 2.81 . 1 64 . 10 LYS HE2 H 2.81 . 1 65 . 10 LYS C C 175.59 . 1 66 . 11 TRP N N 121.82 . 1 67 . 11 TRP H H 8.37 . 1 68 . 11 TRP CA C 57.44 . 1 69 . 11 TRP HA H 4.60 . 1 70 . 11 TRP CB C 30.72 . 1 71 . 11 TRP HB3 H 3.44 . 2 72 . 11 TRP HB2 H 3.31 . 2 73 . 11 TRP HD1 H 7.41 . 1 74 . 11 TRP C C 176.52 . 1 75 . 12 ASP N N 123.26 . 1 76 . 12 ASP H H 8.95 . 1 77 . 12 ASP CA C 53.45 . 1 78 . 12 ASP HA H 4.78 . 1 79 . 12 ASP CB C 40.21 . 1 80 . 12 ASP HB3 H 2.75 . 1 81 . 12 ASP HB2 H 2.75 . 1 82 . 12 ASP C C 174.25 . 1 83 . 13 LYS N N 115.24 . 1 84 . 13 LYS H H 7.43 . 1 85 . 13 LYS CA C 53.93 . 1 86 . 13 LYS HA H 4.62 . 1 87 . 13 LYS CB C 34.01 . 1 88 . 13 LYS HB3 H 1.93 . 1 89 . 13 LYS HB2 H 1.93 . 1 90 . 13 LYS CG C 22.72 . 1 91 . 13 LYS HG3 H 1.13 . 2 92 . 13 LYS HG2 H 1.29 . 2 93 . 13 LYS CD C 29.61 . 1 94 . 13 LYS HD3 H 1.72 . 2 95 . 13 LYS HD2 H 1.68 . 2 96 . 13 LYS HE3 H 2.90 . 1 97 . 13 LYS HE2 H 2.90 . 1 98 . 13 LYS C C 173.74 . 1 99 . 14 ASN N N 113.02 . 1 100 . 14 ASN H H 8.07 . 1 101 . 14 ASN CA C 52.53 . 1 102 . 14 ASN HA H 4.84 . 1 103 . 14 ASN CB C 38.87 . 1 104 . 14 ASN HB3 H 2.61 . 2 105 . 14 ASN HB2 H 2.88 . 2 106 . 15 GLN N N 118.34 . 1 107 . 15 GLN H H 6.85 . 1 108 . 15 GLN CA C 54.39 . 1 109 . 15 GLN HA H 4.56 . 1 110 . 15 GLN CB C 27.97 . 1 111 . 15 GLN HB3 H 1.84 . 1 112 . 15 GLN HB2 H 1.84 . 1 113 . 15 GLN CG C 33.11 . 1 114 . 15 GLN HG3 H 2.10 . 1 115 . 15 GLN HG2 H 2.10 . 1 116 . 15 GLN C C 173.44 . 1 117 . 16 ILE N N 127.90 . 1 118 . 16 ILE H H 8.21 . 1 119 . 16 ILE CA C 57.87 . 1 120 . 16 ILE HA H 4.13 . 1 121 . 16 ILE CB C 38.82 . 1 122 . 16 ILE HB H 1.31 . 1 123 . 16 ILE CG1 C 27.57 . 1 124 . 16 ILE HG13 H 0.36 . 2 125 . 16 ILE HG12 H 0.51 . 2 126 . 16 ILE CD1 C 11.39 . 1 127 . 16 ILE HD1 H -0.07 . 1 128 . 16 ILE CG2 C 17.23 . 1 129 . 16 ILE HG2 H 0.27 . 1 130 . 16 ILE C C 175.96 . 1 131 . 17 THR N N 117.51 . 1 132 . 17 THR H H 9.24 . 1 133 . 17 THR CA C 58.16 . 1 134 . 17 THR HA H 5.53 . 1 135 . 17 THR CB C 72.44 . 1 136 . 17 THR HB H 4.03 . 1 137 . 17 THR CG2 C 21.90 . 1 138 . 17 THR HG2 H 1.06 . 1 139 . 17 THR C C 174.44 . 1 140 . 18 TYR N N 117.06 . 1 141 . 18 TYR H H 8.54 . 1 142 . 18 TYR CA C 54.68 . 1 143 . 18 TYR HA H 5.58 . 1 144 . 18 TYR CB C 42.31 . 1 145 . 18 TYR HB3 H 2.25 . 2 146 . 18 TYR HB2 H 2.79 . 2 147 . 18 TYR C C 171.96 . 1 148 . 19 ARG N N 118.92 . 1 149 . 19 ARG H H 8.29 . 1 150 . 19 ARG CA C 55.12 . 1 151 . 19 ARG HA H 4.53 . 1 152 . 19 ARG CB C 34.51 . 1 153 . 19 ARG HB3 H 1.84 . 2 154 . 19 ARG HB2 H 1.42 . 2 155 . 19 ARG CG C 27.85 . 1 156 . 19 ARG HG3 H 1.75 . 2 157 . 19 ARG HG2 H 1.09 . 2 158 . 19 ARG CD C 44.27 . 1 159 . 19 ARG HD3 H 2.84 . 2 160 . 19 ARG HD2 H 2.66 . 2 161 . 19 ARG C C 173.44 . 1 162 . 20 ILE N N 127.54 . 1 163 . 20 ILE H H 8.41 . 1 164 . 20 ILE CA C 61.05 . 1 165 . 20 ILE HA H 4.33 . 1 166 . 20 ILE CB C 38.31 . 1 167 . 20 ILE HB H 1.78 . 1 168 . 20 ILE CG1 C 28.87 . 1 169 . 20 ILE HG13 H 1.62 . 2 170 . 20 ILE HG12 H 1.01 . 2 171 . 20 ILE CD1 C 15.98 . 1 172 . 20 ILE HD1 H 1.28 . 1 173 . 20 ILE CG2 C 18.45 . 1 174 . 20 ILE HG2 H 0.37 . 1 175 . 20 ILE C C 175.98 . 1 176 . 21 ILE N N 126.55 . 1 177 . 21 ILE H H 9.18 . 1 178 . 21 ILE CA C 62.11 . 1 179 . 21 ILE HA H 4.16 . 1 180 . 21 ILE CB C 38.08 . 1 181 . 21 ILE HB H 2.03 . 1 182 . 21 ILE CG1 C 27.20 . 1 183 . 21 ILE HG13 H 1.22 . 2 184 . 21 ILE HG12 H 1.52 . 2 185 . 21 ILE CD1 C 12.67 . 1 186 . 21 ILE HD1 H 0.89 . 1 187 . 21 ILE CG2 C 17.32 . 1 188 . 21 ILE HG2 H 0.93 . 1 189 . 21 ILE C C 175.72 . 1 190 . 22 GLY N N 108.11 . 1 191 . 22 GLY H H 7.28 . 1 192 . 22 GLY CA C 44.83 . 1 193 . 22 GLY HA3 H 4.23 . 2 194 . 22 GLY HA2 H 4.44 . 2 195 . 22 GLY C C 169.97 . 1 196 . 23 TYR N N 115.47 . 1 197 . 23 TYR H H 8.32 . 1 198 . 23 TYR CA C 58.81 . 1 199 . 23 TYR HA H 4.35 . 1 200 . 23 TYR CB C 41.11 . 1 201 . 23 TYR HB3 H 2.96 . 2 202 . 23 TYR HB2 H 2.65 . 2 203 . 23 TYR CD1 C 131.15 . 3 204 . 23 TYR HD1 H 7.06 . 3 205 . 23 TYR C C 175.44 . 1 206 . 24 THR N N 114.93 . 1 207 . 24 THR H H 5.12 . 1 208 . 24 THR CA C 54.66 . 1 209 . 24 THR HA H 5.02 . 1 210 . 24 THR CB C 67.38 . 1 211 . 24 THR HB H 2.83 . 1 212 . 24 THR CG2 C 19.32 . 1 213 . 24 THR HG2 H 0.51 . 1 214 . 25 PRO CA C 62.85 . 1 215 . 25 PRO HA H 4.67 . 1 216 . 25 PRO CB C 31.87 . 1 217 . 25 PRO HB3 H 2.06 . 2 218 . 25 PRO HB2 H 2.25 . 2 219 . 25 PRO CG C 26.66 . 1 220 . 25 PRO HG3 H 1.96 . 1 221 . 25 PRO HG2 H 1.96 . 1 222 . 25 PRO CD C 50.96 . 1 223 . 25 PRO HD2 H 4.43 . 2 224 . 25 PRO HD3 H 3.60 . 2 225 . 25 PRO C C 177.26 . 1 226 . 26 ASP N N 121.47 . 1 227 . 26 ASP H H 8.83 . 1 228 . 26 ASP CA C 55.82 . 1 229 . 26 ASP HA H 4.05 . 1 230 . 26 ASP CB C 41.51 . 1 231 . 26 ASP HB3 H 2.75 . 2 232 . 26 ASP HB2 H 3.27 . 2 233 . 26 ASP C C 175.32 . 1 234 . 27 LEU N N 115.32 . 1 235 . 27 LEU H H 6.95 . 1 236 . 27 LEU CA C 51.81 . 1 237 . 27 LEU HA H 4.69 . 1 238 . 27 LEU CB C 49.16 . 1 239 . 27 LEU HB3 H 1.33 . 2 240 . 27 LEU HB2 H 1.13 . 2 241 . 27 LEU CG C 26.05 . 1 242 . 27 LEU HG H 1.45 . 1 243 . 27 LEU CD1 C 25.99 . 1 244 . 27 LEU HD1 H 0.55 . 2 245 . 27 LEU CD2 C 24.28 . 1 246 . 27 LEU HD2 H 0.96 . 2 247 . 27 LEU C C 174.71 . 1 248 . 28 ASP N N 119.69 . 1 249 . 28 ASP H H 8.26 . 1 250 . 28 ASP CA C 52.45 . 1 251 . 28 ASP HA H 4.73 . 1 252 . 28 ASP CB C 39.85 . 1 253 . 28 ASP HB3 H 2.75 . 1 254 . 28 ASP HB2 H 2.75 . 1 255 . 28 ASP C C 174.93 . 1 256 . 29 PRO CA C 66.03 . 1 257 . 29 PRO HA H 4.03 . 1 258 . 29 PRO CB C 31.30 . 1 259 . 29 PRO HB3 H 1.65 . 2 260 . 29 PRO HB2 H 1.36 . 2 261 . 29 PRO CG C 27.50 . 1 262 . 29 PRO HG3 H 1.65 . 2 263 . 29 PRO HG2 H 1.94 . 2 264 . 29 PRO CD C 50.24 . 1 265 . 29 PRO HD2 H 3.72 . 2 266 . 29 PRO HD3 H 3.75 . 2 267 . 29 PRO C C 177.49 . 1 268 . 30 GLU N N 115.54 . 1 269 . 30 GLU H H 8.62 . 1 270 . 30 GLU CA C 60.04 . 1 271 . 30 GLU HA H 4.12 . 1 272 . 30 GLU CB C 28.79 . 1 273 . 30 GLU HB3 H 2.05 . 1 274 . 30 GLU HB2 H 2.05 . 1 275 . 30 GLU CG C 36.59 . 1 276 . 30 GLU HG3 H 2.35 . 1 277 . 30 GLU HG2 H 2.35 . 1 278 . 30 GLU C C 179.64 . 1 279 . 31 THR N N 118.87 . 1 280 . 31 THR H H 7.72 . 1 281 . 31 THR CA C 65.80 . 1 282 . 31 THR HA H 4.01 . 1 283 . 31 THR CB C 67.18 . 1 284 . 31 THR HB H 4.30 . 1 285 . 31 THR CG2 C 22.85 . 1 286 . 31 THR HG2 H 1.26 . 1 287 . 31 THR C C 176.83 . 1 288 . 32 VAL N N 124.63 . 1 289 . 32 VAL H H 7.66 . 1 290 . 32 VAL CA C 66.60 . 1 291 . 32 VAL HA H 3.09 . 1 292 . 32 VAL CB C 31.23 . 1 293 . 32 VAL HB H 2.53 . 1 294 . 32 VAL CG2 C 23.21 . 1 295 . 32 VAL HG2 H 0.85 . 2 296 . 32 VAL CG1 C 24.55 . 1 297 . 32 VAL HG1 H 0.84 . 2 298 . 32 VAL C C 176.16 . 1 299 . 33 ASP N N 119.06 . 1 300 . 33 ASP H H 8.87 . 1 301 . 33 ASP CA C 57.73 . 1 302 . 33 ASP HA H 4.44 . 1 303 . 33 ASP CB C 39.98 . 1 304 . 33 ASP HB3 H 2.90 . 2 305 . 33 ASP HB2 H 2.71 . 2 306 . 33 ASP C C 179.91 . 1 307 . 34 ASP N N 119.38 . 1 308 . 34 ASP H H 7.84 . 1 309 . 34 ASP CA C 57.20 . 1 310 . 34 ASP HA H 4.55 . 1 311 . 34 ASP CB C 42.55 . 1 312 . 34 ASP HB3 H 2.87 . 2 313 . 34 ASP HB2 H 2.71 . 2 314 . 34 ASP C C 176.78 . 1 315 . 35 ALA N N 122.69 . 1 316 . 35 ALA H H 8.16 . 1 317 . 35 ALA CA C 55.54 . 1 318 . 35 ALA HA H 4.03 . 1 319 . 35 ALA CB C 16.92 . 1 320 . 35 ALA HB H 1.23 . 1 321 . 35 ALA C C 180.16 . 1 322 . 36 PHE N N 113.41 . 1 323 . 36 PHE H H 8.03 . 1 324 . 36 PHE CA C 58.14 . 1 325 . 36 PHE HA H 4.67 . 1 326 . 36 PHE CB C 36.86 . 1 327 . 36 PHE HB3 H 3.19 . 2 328 . 36 PHE HB2 H 3.08 . 2 329 . 36 PHE CD1 C 129.08 . 3 330 . 36 PHE HD1 H 7.02 . 3 331 . 36 PHE CE1 C 130.37 . 3 332 . 36 PHE HE1 H 6.60 . 3 333 . 36 PHE CZ C 128.82 . 1 334 . 36 PHE HZ H 6.48 . 1 335 . 36 PHE C C 177.41 . 1 336 . 37 ALA N N 121.44 . 1 337 . 37 ALA H H 8.53 . 1 338 . 37 ALA CA C 56.02 . 1 339 . 37 ALA HA H 4.28 . 1 340 . 37 ALA CB C 17.85 . 1 341 . 37 ALA HB H 1.73 . 1 342 . 37 ALA C C 181.84 . 1 343 . 38 ARG N N 118.09 . 1 344 . 38 ARG H H 8.76 . 1 345 . 38 ARG CA C 59.54 . 1 346 . 38 ARG HA H 4.10 . 1 347 . 38 ARG CB C 30.33 . 1 348 . 38 ARG HB3 H 1.60 . 2 349 . 38 ARG HB2 H 1.91 . 2 350 . 38 ARG CG C 28.87 . 1 351 . 38 ARG HG3 H 1.51 . 2 352 . 38 ARG HG2 H 1.70 . 2 353 . 38 ARG CD C 43.12 . 1 354 . 38 ARG HD3 H 2.87 . 2 355 . 38 ARG HD2 H 3.04 . 2 356 . 38 ARG C C 179.28 . 1 357 . 39 ALA N N 124.75 . 1 358 . 39 ALA H H 8.39 . 1 359 . 39 ALA CA C 55.55 . 1 360 . 39 ALA HA H 4.07 . 1 361 . 39 ALA CB C 18.76 . 1 362 . 39 ALA HB H 1.35 . 1 363 . 39 ALA C C 178.58 . 1 364 . 40 PHE N N 114.78 . 1 365 . 40 PHE H H 8.18 . 1 366 . 40 PHE CA C 62.79 . 1 367 . 40 PHE HA H 4.08 . 1 368 . 40 PHE CB C 38.34 . 1 369 . 40 PHE HB3 H 2.61 . 1 370 . 40 PHE HB2 H 2.61 . 1 371 . 40 PHE CD1 C 131.93 . 3 372 . 40 PHE HD1 H 5.54 . 3 373 . 40 PHE CE1 C 117.44 . 3 374 . 40 PHE HE1 H 6.27 . 3 375 . 40 PHE C C 178.75 . 1 376 . 41 GLN N N 119.70 . 1 377 . 41 GLN H H 7.93 . 1 378 . 41 GLN CA C 57.70 . 1 379 . 41 GLN HA H 4.19 . 1 380 . 41 GLN CB C 27.94 . 1 381 . 41 GLN HB3 H 2.28 . 2 382 . 41 GLN HB2 H 2.35 . 2 383 . 41 GLN CG C 33.24 . 1 384 . 41 GLN HG3 H 2.52 . 1 385 . 41 GLN HG2 H 2.52 . 1 386 . 41 GLN C C 176.76 . 1 387 . 42 VAL N N 115.04 . 1 388 . 42 VAL H H 7.27 . 1 389 . 42 VAL CA C 65.08 . 1 390 . 42 VAL HA H 3.71 . 1 391 . 42 VAL CB C 31.36 . 1 392 . 42 VAL HB H 2.03 . 1 393 . 42 VAL CG2 C 24.40 . 1 394 . 42 VAL HG2 H 0.32 . 2 395 . 42 VAL CG1 C 22.02 . 1 396 . 42 VAL HG1 H 0.89 . 2 397 . 42 VAL C C 177.07 . 1 398 . 43 TRP N N 115.85 . 1 399 . 43 TRP H H 6.76 . 1 400 . 43 TRP CA C 57.22 . 1 401 . 43 TRP HA H 4.92 . 1 402 . 43 TRP CB C 29.98 . 1 403 . 43 TRP HB3 H 3.28 . 2 404 . 43 TRP HB2 H 3.34 . 2 405 . 43 TRP CD1 C 127.27 . 1 406 . 43 TRP HD1 H 7.45 . 1 407 . 43 TRP NE1 N 126.58 . 1 408 . 43 TRP HE1 H 10.02 . 1 409 . 43 TRP C C 180.61 . 1 410 . 44 SER N N 118.89 . 1 411 . 44 SER H H 8.88 . 1 412 . 44 SER CA C 61.36 . 1 413 . 44 SER HA H 4.50 . 1 414 . 44 SER CB C 63.68 . 1 415 . 44 SER HB3 H 4.20 . 2 416 . 44 SER HB2 H 4.23 . 2 417 . 44 SER C C 175.59 . 1 418 . 45 ASP N N 117.31 . 1 419 . 45 ASP H H 8.22 . 1 420 . 45 ASP CA C 56.67 . 1 421 . 45 ASP HA H 4.59 . 1 422 . 45 ASP CB C 41.26 . 1 423 . 45 ASP HB3 H 2.70 . 2 424 . 45 ASP HB2 H 2.88 . 2 425 . 45 ASP C C 177.96 . 1 426 . 46 VAL N N 105.30 . 1 427 . 46 VAL H H 7.06 . 1 428 . 46 VAL CA C 59.98 . 1 429 . 46 VAL HA H 4.86 . 1 430 . 46 VAL CB C 32.65 . 1 431 . 46 VAL HB H 2.65 . 1 432 . 46 VAL CG2 C 21.61 . 1 433 . 46 VAL HG2 H 0.92 . 2 434 . 46 VAL CG1 C 18.71 . 1 435 . 46 VAL HG1 H 1.16 . 2 436 . 46 VAL C C 174.72 . 1 437 . 47 THR N N 110.68 . 1 438 . 47 THR H H 7.54 . 1 439 . 47 THR CA C 59.89 . 1 440 . 47 THR HA H 5.29 . 1 441 . 47 THR CB C 71.84 . 1 442 . 47 THR HB H 4.13 . 1 443 . 47 THR CG2 C 24.13 . 1 444 . 47 THR HG2 H 1.48 . 1 445 . 47 THR C C 173.25 . 1 446 . 48 PRO CA C 62.16 . 1 447 . 48 PRO HA H 4.70 . 1 448 . 48 PRO CB C 31.70 . 1 449 . 48 PRO HB3 H 2.33 . 2 450 . 48 PRO HB2 H 1.98 . 2 451 . 48 PRO CG C 27.27 . 1 452 . 48 PRO HG3 H 1.89 . 2 453 . 48 PRO HG2 H 2.02 . 2 454 . 48 PRO CD C 51.22 . 1 455 . 48 PRO HD2 H 3.46 . 2 456 . 48 PRO HD3 H 3.82 . 2 457 . 48 PRO C C 176.33 . 1 458 . 49 LEU N N 117.24 . 1 459 . 49 LEU H H 7.23 . 1 460 . 49 LEU CA C 54.88 . 1 461 . 49 LEU HA H 4.24 . 1 462 . 49 LEU CB C 42.81 . 1 463 . 49 LEU HB3 H 0.47 . 2 464 . 49 LEU HB2 H 1.41 . 2 465 . 49 LEU CG C 27.17 . 1 466 . 49 LEU HG H 1.07 . 1 467 . 49 LEU CD1 C 24.52 . 1 468 . 49 LEU HD1 H 0.38 . 2 469 . 49 LEU CD2 C 21.99 . 1 470 . 49 LEU HD2 H 0.50 . 2 471 . 49 LEU C C 177.31 . 1 472 . 50 ARG N N 122.72 . 1 473 . 50 ARG H H 8.21 . 1 474 . 50 ARG CA C 52.87 . 1 475 . 50 ARG HA H 4.40 . 1 476 . 50 ARG CB C 32.33 . 1 477 . 50 ARG HB3 H 1.46 . 2 478 . 50 ARG HB2 H 1.57 . 2 479 . 50 ARG CG C 26.42 . 1 480 . 50 ARG HG3 H 1.52 . 1 481 . 50 ARG HG2 H 1.52 . 1 482 . 50 ARG CD C 42.84 . 1 483 . 50 ARG HD3 H 3.07 . 2 484 . 50 ARG HD2 H 3.20 . 2 485 . 50 ARG C C 173.64 . 1 486 . 51 PHE N N 120.94 . 1 487 . 51 PHE H H 8.30 . 1 488 . 51 PHE CA C 56.04 . 1 489 . 51 PHE HA H 5.36 . 1 490 . 51 PHE CB C 40.78 . 1 491 . 51 PHE HB3 H 2.41 . 2 492 . 51 PHE HB2 H 1.97 . 2 493 . 51 PHE CD1 C 131.67 . 3 494 . 51 PHE HD1 H 6.59 . 3 495 . 51 PHE CE1 C 129.60 . 3 496 . 51 PHE HE1 H 6.90 . 3 497 . 51 PHE C C 176.16 . 1 498 . 52 SER N N 117.81 . 1 499 . 52 SER H H 8.44 . 1 500 . 52 SER CA C 56.19 . 1 501 . 52 SER HA H 4.67 . 1 502 . 52 SER CB C 64.90 . 1 503 . 52 SER HB3 H 3.41 . 2 504 . 52 SER HB2 H 3.60 . 2 505 . 52 SER C C 171.02 . 1 506 . 53 ARG N N 127.05 . 1 507 . 53 ARG H H 8.38 . 1 508 . 53 ARG CA C 54.68 . 1 509 . 53 ARG HA H 3.46 . 1 510 . 53 ARG CB C 30.42 . 1 511 . 53 ARG HB3 H 1.46 . 2 512 . 53 ARG HB2 H 1.03 . 2 513 . 53 ARG CG C 26.90 . 1 514 . 53 ARG HG3 H 0.90 . 2 515 . 53 ARG HG2 H 0.81 . 2 516 . 53 ARG CD C 43.84 . 1 517 . 53 ARG HD3 H 2.95 . 2 518 . 53 ARG HD2 H 3.00 . 2 519 . 53 ARG C C 176.22 . 1 520 . 54 ILE N N 121.14 . 1 521 . 54 ILE H H 8.51 . 1 522 . 54 ILE CA C 58.97 . 1 523 . 54 ILE HA H 4.72 . 1 524 . 54 ILE CB C 40.67 . 1 525 . 54 ILE HB H 1.99 . 1 526 . 54 ILE CG1 C 25.87 . 1 527 . 54 ILE HG13 H 1.01 . 1 528 . 54 ILE HG12 H 1.01 . 1 529 . 54 ILE CD1 C 12.97 . 1 530 . 54 ILE HD1 H 0.63 . 1 531 . 54 ILE CG2 C 16.77 . 1 532 . 54 ILE HG2 H 0.75 . 1 533 . 54 ILE C C 175.57 . 1 534 . 55 HIS N N 118.63 . 1 535 . 55 HIS H H 8.74 . 1 536 . 55 HIS CA C 56.89 . 1 537 . 55 HIS HA H 4.60 . 1 538 . 55 HIS CB C 32.26 . 1 539 . 55 HIS HB3 H 2.80 . 2 540 . 55 HIS HB2 H 3.30 . 2 541 . 55 HIS HD2 H 6.92 . 1 542 . 56 ASP N N 117.07 . 1 543 . 56 ASP H H 7.47 . 1 544 . 56 ASP CA C 52.78 . 1 545 . 56 ASP HA H 4.67 . 1 546 . 56 ASP CB C 43.90 . 1 547 . 56 ASP HB3 H 2.48 . 2 548 . 56 ASP HB2 H 2.55 . 2 549 . 56 ASP C C 174.51 . 1 550 . 57 GLY N N 107.88 . 1 551 . 57 GLY H H 8.05 . 1 552 . 57 GLY CA C 44.17 . 1 553 . 57 GLY HA3 H 4.03 . 2 554 . 57 GLY HA2 H 3.76 . 2 555 . 57 GLY C C 172.52 . 1 556 . 58 GLU CA C 56.05 . 1 557 . 58 GLU HA H 4.28 . 1 558 . 58 GLU CB C 29.51 . 1 559 . 58 GLU HB3 H 1.85 . 1 560 . 58 GLU HB2 H 1.85 . 1 561 . 58 GLU CG C 35.48 . 1 562 . 58 GLU HG3 H 2.17 . 1 563 . 58 GLU HG2 H 2.17 . 1 564 . 58 GLU C C 175.55 . 1 565 . 59 ALA N N 130.43 . 1 566 . 59 ALA H H 7.81 . 1 567 . 59 ALA CA C 49.49 . 1 568 . 59 ALA HA H 4.40 . 1 569 . 59 ALA CB C 21.77 . 1 570 . 59 ALA HB H 0.94 . 1 571 . 59 ALA C C 175.81 . 1 572 . 60 ASP N N 121.01 . 1 573 . 60 ASP H H 8.10 . 1 574 . 60 ASP CA C 58.22 . 1 575 . 60 ASP HA H 4.43 . 1 576 . 60 ASP CB C 40.89 . 1 577 . 60 ASP HB3 H 2.13 . 2 578 . 60 ASP HB2 H 2.79 . 2 579 . 60 ASP C C 177.11 . 1 580 . 61 ILE N N 123.24 . 1 581 . 61 ILE H H 8.72 . 1 582 . 61 ILE CA C 60.87 . 1 583 . 61 ILE HA H 4.14 . 1 584 . 61 ILE CB C 38.21 . 1 585 . 61 ILE HB H 1.82 . 1 586 . 61 ILE CG1 C 26.08 . 1 587 . 61 ILE HG13 H 1.48 . 2 588 . 61 ILE HG12 H 1.20 . 2 589 . 61 ILE CD1 C 14.23 . 1 590 . 61 ILE HD1 H 0.70 . 1 591 . 61 ILE CG2 C 14.76 . 1 592 . 61 ILE HG2 H 0.90 . 1 593 . 61 ILE C C 174.17 . 1 594 . 62 MET N N 126.85 . 1 595 . 62 MET H H 7.36 . 1 596 . 62 MET CA C 53.34 . 1 597 . 62 MET HA H 5.03 . 1 598 . 62 MET CB C 32.88 . 1 599 . 62 MET HB3 H 2.21 . 2 600 . 62 MET HB2 H 2.73 . 2 601 . 62 MET HG3 H 1.83 . 1 602 . 62 MET HG2 H 1.83 . 1 603 . 62 MET C C 176.37 . 1 604 . 63 ILE N N 124.59 . 1 605 . 63 ILE H H 8.89 . 1 606 . 63 ILE CA C 60.11 . 1 607 . 63 ILE HA H 5.41 . 1 608 . 63 ILE CB C 40.22 . 1 609 . 63 ILE HB H 1.60 . 1 610 . 63 ILE CG1 C 28.80 . 1 611 . 63 ILE HG13 H 0.68 . 2 612 . 63 ILE HG12 H 1.72 . 2 613 . 63 ILE CD1 C 15.00 . 1 614 . 63 ILE HD1 H 0.41 . 1 615 . 63 ILE CG2 C 18.51 . 1 616 . 63 ILE HG2 H 0.47 . 1 617 . 63 ILE C C 174.72 . 1 618 . 64 ASN N N 121.74 . 1 619 . 64 ASN H H 8.58 . 1 620 . 64 ASN CA C 50.38 . 1 621 . 64 ASN HA H 5.37 . 1 622 . 64 ASN CB C 43.08 . 1 623 . 64 ASN HB3 H 2.73 . 2 624 . 64 ASN HB2 H 2.65 . 2 625 . 64 ASN C C 173.47 . 1 626 . 65 PHE N N 120.43 . 1 627 . 65 PHE CA C 56.51 . 1 628 . 65 PHE HA H 5.38 . 1 629 . 65 PHE CB C 42.30 . 1 630 . 65 PHE HB3 H 2.91 . 2 631 . 65 PHE HB2 H 2.77 . 2 632 . 65 PHE CD1 C 132.70 . 3 633 . 65 PHE HD1 H 7.14 . 3 634 . 65 PHE C C 175.55 . 1 635 . 66 GLY N N 107.06 . 1 636 . 66 GLY H H 8.79 . 1 637 . 66 GLY CA C 44.40 . 1 638 . 66 GLY HA3 H 3.50 . 2 639 . 66 GLY HA2 H 4.75 . 2 640 . 66 GLY C C 170.64 . 1 641 . 67 ARG N N 116.37 . 1 642 . 67 ARG H H 8.42 . 1 643 . 67 ARG CA C 54.40 . 1 644 . 67 ARG HA H 5.06 . 1 645 . 67 ARG CB C 34.18 . 1 646 . 67 ARG HB3 H 2.02 . 2 647 . 67 ARG HB2 H 1.84 . 2 648 . 67 ARG CG C 27.19 . 1 649 . 67 ARG HG3 H 1.53 . 2 650 . 67 ARG HG2 H 1.63 . 2 651 . 67 ARG CD C 43.46 . 1 652 . 67 ARG HD3 H 3.35 . 2 653 . 67 ARG HD2 H 3.30 . 2 654 . 67 ARG C C 174.40 . 1 655 . 68 TRP N N 119.67 . 1 656 . 68 TRP H H 9.48 . 1 657 . 68 TRP CA C 58.34 . 1 658 . 68 TRP HA H 3.90 . 1 659 . 68 TRP CB C 27.43 . 1 660 . 68 TRP HB3 H 3.18 . 2 661 . 68 TRP HB2 H 3.60 . 2 662 . 68 TRP C C 177.30 . 1 663 . 69 GLU N N 127.55 . 1 664 . 69 GLU H H 8.34 . 1 665 . 69 GLU CA C 56.98 . 1 666 . 69 GLU HA H 4.51 . 1 667 . 69 GLU CB C 28.30 . 1 668 . 69 GLU HB3 H 2.21 . 1 669 . 69 GLU HB2 H 2.21 . 1 670 . 69 GLU CG C 36.18 . 1 671 . 69 GLU HG3 H 2.24 . 2 672 . 69 GLU HG2 H 2.46 . 2 673 . 69 GLU C C 174.82 . 1 674 . 70 HIS N N 123.28 . 1 675 . 70 HIS H H 9.20 . 1 676 . 70 HIS CA C 54.88 . 1 677 . 70 HIS HA H 5.18 . 1 678 . 70 HIS CB C 27.85 . 1 679 . 70 HIS HB3 H 2.84 . 2 680 . 70 HIS HB2 H 3.62 . 2 681 . 70 HIS CD2 C 125.72 . 1 682 . 70 HIS HD2 H 6.32 . 1 683 . 71 GLY N N 108.92 . 1 684 . 71 GLY H H 8.21 . 1 685 . 71 GLY CA C 45.77 . 1 686 . 71 GLY HA3 H 3.70 . 2 687 . 71 GLY HA2 H 4.43 . 2 688 . 71 GLY C C 173.99 . 1 689 . 72 ASP N N 115.33 . 1 690 . 72 ASP H H 6.98 . 1 691 . 72 ASP CA C 51.81 . 1 692 . 72 ASP HA H 4.78 . 1 693 . 72 ASP CB C 41.26 . 1 694 . 72 ASP HB3 H 2.85 . 2 695 . 72 ASP HB2 H 3.22 . 2 696 . 72 ASP C C 176.24 . 1 697 . 73 GLY CA C 45.30 . 1 698 . 73 GLY HA3 H 4.41 . 2 699 . 73 GLY HA2 H 3.66 . 2 700 . 73 GLY C C 173.23 . 1 701 . 74 TYR N N 119.89 . 1 702 . 74 TYR H H 7.53 . 1 703 . 74 TYR CA C 54.68 . 1 704 . 74 TYR HA H 4.81 . 1 705 . 74 TYR CB C 38.02 . 1 706 . 74 TYR HB3 H 2.22 . 2 707 . 74 TYR HB2 H 2.66 . 2 708 . 74 TYR CD1 C 132.44 . 1 709 . 74 TYR HD1 H 6.81 . 1 710 . 74 TYR HE1 H 6.70 . 1 711 . 74 TYR C C 171.16 . 1 712 . 75 PRO CA C 63.08 . 1 713 . 75 PRO HA H 4.52 . 1 714 . 75 PRO CB C 32.17 . 1 715 . 75 PRO HB3 H 1.96 . 2 716 . 75 PRO HB2 H 2.28 . 2 717 . 75 PRO HG3 H 1.93 . 1 718 . 75 PRO HG2 H 1.93 . 1 719 . 75 PRO CD C 47.30 . 1 720 . 75 PRO HD2 H 4.00 . 1 721 . 75 PRO HD3 H 4.00 . 1 722 . 75 PRO C C 179.27 . 1 723 . 76 PHE N N 117.84 . 1 724 . 76 PHE H H 7.94 . 1 725 . 76 PHE CA C 56.04 . 1 726 . 76 PHE HA H 4.74 . 1 727 . 76 PHE CB C 37.42 . 1 728 . 76 PHE HB3 H 3.72 . 2 729 . 76 PHE HB2 H 2.73 . 2 730 . 76 PHE C C 174.62 . 1 731 . 77 ASP N N 115.84 . 1 732 . 77 ASP H H 7.81 . 1 733 . 77 ASP CA C 52.97 . 1 734 . 77 ASP HA H 3.81 . 1 735 . 77 ASP CB C 41.26 . 1 736 . 77 ASP HB3 H 2.25 . 2 737 . 77 ASP HB2 H 2.90 . 2 738 . 77 ASP C C 176.18 . 1 739 . 78 GLY N N 110.23 . 1 740 . 78 GLY H H 8.05 . 1 741 . 78 GLY CA C 43.72 . 1 742 . 78 GLY HA3 H 4.08 . 2 743 . 78 GLY HA2 H 3.88 . 2 744 . 78 GLY C C 172.90 . 1 745 . 79 LYS N N 124.19 . 1 746 . 79 LYS H H 8.47 . 1 747 . 79 LYS CA C 58.31 . 1 748 . 79 LYS HA H 3.58 . 1 749 . 79 LYS CB C 32.52 . 1 750 . 79 LYS HB3 H 1.64 . 1 751 . 79 LYS HB2 H 1.64 . 1 752 . 79 LYS CG C 24.44 . 1 753 . 79 LYS HG3 H 1.42 . 1 754 . 79 LYS HG2 H 1.42 . 1 755 . 79 LYS CD C 29.12 . 1 756 . 79 LYS HD3 H 1.62 . 1 757 . 79 LYS HD2 H 1.62 . 1 758 . 79 LYS C C 176.69 . 1 759 . 80 ASP N N 126.47 . 1 760 . 80 ASP H H 11.12 . 1 761 . 80 ASP CA C 55.07 . 1 762 . 80 ASP HA H 3.99 . 1 763 . 80 ASP CB C 39.63 . 1 764 . 80 ASP HB3 H 2.79 . 2 765 . 80 ASP HB2 H 2.99 . 2 766 . 80 ASP C C 175.19 . 1 767 . 81 GLY N N 110.89 . 1 768 . 81 GLY H H 8.30 . 1 769 . 81 GLY CA C 46.06 . 1 770 . 81 GLY HA3 H 4.08 . 2 771 . 81 GLY HA2 H 3.37 . 2 772 . 81 GLY C C 174.30 . 1 773 . 82 LEU N N 128.14 . 1 774 . 82 LEU H H 10.56 . 1 775 . 82 LEU CA C 55.76 . 1 776 . 82 LEU HA H 4.16 . 1 777 . 82 LEU CB C 42.51 . 1 778 . 82 LEU HB3 H 1.39 . 2 779 . 82 LEU HB2 H 1.90 . 2 780 . 82 LEU CG C 27.17 . 1 781 . 82 LEU HG H 1.88 . 1 782 . 82 LEU CD1 C 26.18 . 1 783 . 82 LEU HD1 H 1.02 . 1 784 . 82 LEU CD2 C 24.28 . 1 785 . 82 LEU HD2 H 1.02 . 1 786 . 82 LEU C C 177.51 . 1 787 . 83 LEU N N 120.45 . 1 788 . 83 LEU H H 7.86 . 1 789 . 83 LEU CA C 55.68 . 1 790 . 83 LEU HA H 4.34 . 1 791 . 83 LEU CB C 44.72 . 1 792 . 83 LEU HB3 H 1.20 . 2 793 . 83 LEU HB2 H 1.41 . 2 794 . 83 LEU CG C 25.52 . 1 795 . 83 LEU HG H 1.18 . 1 796 . 83 LEU CD1 C 23.59 . 1 797 . 83 LEU HD1 H -0.46 . 2 798 . 83 LEU CD2 C 20.20 . 1 799 . 83 LEU HD2 H -0.54 . 2 800 . 83 LEU C C 175.55 . 1 801 . 84 ALA N N 113.46 . 1 802 . 84 ALA H H 7.27 . 1 803 . 84 ALA CA C 51.58 . 1 804 . 84 ALA HA H 4.44 . 1 805 . 84 ALA CB C 21.45 . 1 806 . 84 ALA HB H 1.04 . 1 807 . 84 ALA C C 175.74 . 1 808 . 85 HIS N N 115.80 . 1 809 . 85 HIS H H 8.87 . 1 810 . 85 HIS CA C 53.47 . 1 811 . 85 HIS HA H 4.93 . 1 812 . 85 HIS CB C 31.23 . 1 813 . 85 HIS HB3 H 2.73 . 2 814 . 85 HIS HB2 H 3.07 . 2 815 . 85 HIS HD2 H 6.53 . 1 816 . 85 HIS C C 171.90 . 1 817 . 86 ALA N N 121.64 . 1 818 . 86 ALA H H 8.60 . 1 819 . 86 ALA CA C 49.73 . 1 820 . 86 ALA HA H 5.17 . 1 821 . 86 ALA CB C 23.32 . 1 822 . 86 ALA HB H 1.17 . 1 823 . 86 ALA C C 176.59 . 1 824 . 87 PHE N N 120.39 . 1 825 . 87 PHE H H 7.79 . 1 826 . 87 PHE CA C 56.46 . 1 827 . 87 PHE HA H 4.25 . 1 828 . 87 PHE CB C 40.88 . 1 829 . 87 PHE HB3 H 2.88 . 2 830 . 87 PHE HB2 H 3.06 . 2 831 . 87 PHE CD1 C 131.93 . 3 832 . 87 PHE HD1 H 7.02 . 3 833 . 87 PHE CE1 C 129.60 . 3 834 . 87 PHE HE1 H 6.62 . 3 835 . 87 PHE C C 175.08 . 1 836 . 88 ALA N N 122.46 . 1 837 . 88 ALA H H 8.07 . 1 838 . 88 ALA CA C 50.21 . 1 839 . 88 ALA HA H 4.17 . 1 840 . 88 ALA CB C 16.46 . 1 841 . 88 ALA HB H 1.16 . 1 842 . 89 PRO CA C 63.77 . 1 843 . 89 PRO HA H 2.79 . 1 844 . 89 PRO CB C 31.19 . 1 845 . 89 PRO HB3 H -0.12 . 2 846 . 89 PRO HB2 H 0.44 . 2 847 . 89 PRO CG C 26.69 . 1 848 . 89 PRO HG3 H 1.06 . 2 849 . 89 PRO HG2 H 1.45 . 2 850 . 89 PRO CD C 49.11 . 1 851 . 89 PRO HD2 H 3.28 . 2 852 . 89 PRO HD3 H 2.97 . 2 853 . 89 PRO C C 174.12 . 1 854 . 90 GLY N N 106.54 . 1 855 . 90 GLY H H 5.78 . 1 856 . 90 GLY CA C 43.67 . 1 857 . 90 GLY HA3 H 4.13 . 2 858 . 90 GLY HA2 H 3.69 . 2 859 . 90 GLY C C 172.02 . 1 860 . 91 THR N N 111.19 . 1 861 . 91 THR H H 8.18 . 1 862 . 91 THR CA C 62.09 . 1 863 . 91 THR HA H 4.30 . 1 864 . 91 THR CB C 69.86 . 1 865 . 91 THR HB H 4.33 . 1 866 . 91 THR CG2 C 21.42 . 1 867 . 91 THR HG2 H 1.30 . 1 868 . 91 THR C C 176.16 . 1 869 . 92 GLY N N 112.21 . 1 870 . 92 GLY H H 8.97 . 1 871 . 92 GLY CA C 46.40 . 1 872 . 92 GLY HA3 H 4.09 . 2 873 . 92 GLY HA2 H 4.59 . 2 874 . 92 GLY C C 175.45 . 1 875 . 93 VAL N N 131.48 . 1 876 . 93 VAL H H 8.94 . 1 877 . 93 VAL CA C 62.27 . 1 878 . 93 VAL HA H 4.21 . 1 879 . 93 VAL CB C 30.97 . 1 880 . 93 VAL HB H 1.56 . 1 881 . 93 VAL CG2 C 19.85 . 1 882 . 93 VAL HG2 H 0.39 . 2 883 . 93 VAL CG1 C 19.71 . 1 884 . 93 VAL HG1 H 0.54 . 2 885 . 93 VAL C C 174.62 . 1 886 . 94 GLY N N 105.78 . 1 887 . 94 GLY H H 7.61 . 1 888 . 94 GLY CA C 46.92 . 1 889 . 94 GLY HA3 H 3.07 . 2 890 . 94 GLY HA2 H 3.73 . 2 891 . 94 GLY C C 174.80 . 1 892 . 95 GLY N N 119.94 . 1 893 . 95 GLY H H 7.51 . 1 894 . 95 GLY CA C 46.35 . 1 895 . 95 GLY HA3 H 4.07 . 2 896 . 95 GLY HA2 H 4.59 . 2 897 . 95 GLY C C 169.86 . 1 898 . 96 ASP N N 118.63 . 1 899 . 96 ASP H H 8.21 . 1 900 . 96 ASP CA C 55.52 . 1 901 . 96 ASP HA H 4.54 . 1 902 . 96 ASP CB C 39.25 . 1 903 . 96 ASP HB3 H 2.68 . 1 904 . 96 ASP HB2 H 2.68 . 1 905 . 96 ASP C C 175.42 . 1 906 . 97 SER N N 110.47 . 1 907 . 97 SER H H 7.86 . 1 908 . 97 SER CA C 57.45 . 1 909 . 97 SER HA H 5.06 . 1 910 . 97 SER CB C 66.90 . 1 911 . 97 SER HB3 H 3.38 . 2 912 . 97 SER HB2 H 3.53 . 2 913 . 97 SER C C 172.37 . 1 914 . 98 HIS N N 122.67 . 1 915 . 98 HIS H H 9.19 . 1 916 . 98 HIS CA C 50.41 . 1 917 . 98 HIS HA H 5.94 . 1 918 . 98 HIS CB C 34.59 . 1 919 . 98 HIS HB3 H 2.66 . 2 920 . 98 HIS HB2 H 2.94 . 2 921 . 98 HIS CD2 C 115.89 . 1 922 . 98 HIS HD2 H 7.09 . 1 923 . 98 HIS C C 173.01 . 1 924 . 99 PHE N N 120.67 . 1 925 . 99 PHE H H 8.06 . 1 926 . 99 PHE CA C 56.51 . 1 927 . 99 PHE HA H 4.17 . 1 928 . 99 PHE CB C 41.92 . 1 929 . 99 PHE HB3 H 1.79 . 2 930 . 99 PHE HB2 H 2.10 . 2 931 . 99 PHE CD1 C 131.15 . 3 932 . 99 PHE HD1 H 6.19 . 3 933 . 99 PHE CE1 C 129.08 . 3 934 . 99 PHE HE1 H 6.49 . 3 935 . 99 PHE C C 173.99 . 1 936 . 100 ASP N N 122.44 . 1 937 . 100 ASP H H 8.02 . 1 938 . 100 ASP CA C 53.58 . 1 939 . 100 ASP HA H 4.21 . 1 940 . 100 ASP CB C 40.48 . 1 941 . 100 ASP HB3 H 2.95 . 2 942 . 100 ASP HB2 H 0.59 . 2 943 . 100 ASP C C 179.09 . 1 944 . 101 ASP N N 128.13 . 1 945 . 101 ASP H H 10.09 . 1 946 . 101 ASP CA C 53.21 . 1 947 . 101 ASP HA H 5.55 . 1 948 . 101 ASP CB C 40.94 . 1 949 . 101 ASP HB3 H 2.65 . 2 950 . 101 ASP HB2 H 2.81 . 2 951 . 101 ASP C C 179.59 . 1 952 . 102 ASP N N 122.70 . 1 953 . 102 ASP H H 9.18 . 1 954 . 102 ASP CA C 56.98 . 1 955 . 102 ASP HA H 4.93 . 1 956 . 102 ASP CB C 38.67 . 1 957 . 102 ASP HB3 H 2.35 . 2 958 . 102 ASP HB2 H 2.55 . 2 959 . 102 ASP C C 177.34 . 1 960 . 103 GLU N N 115.04 . 1 961 . 103 GLU H H 7.30 . 1 962 . 103 GLU CA C 53.07 . 1 963 . 103 GLU HA H 4.71 . 1 964 . 103 GLU CB C 27.29 . 1 965 . 103 GLU HB3 H 1.33 . 2 966 . 103 GLU HB2 H 0.69 . 2 967 . 103 GLU CG C 34.36 . 1 968 . 103 GLU HG3 H 2.48 . 2 969 . 103 GLU HG2 H 1.74 . 2 970 . 103 GLU C C 176.19 . 1 971 . 104 LEU N N 127.93 . 1 972 . 104 LEU H H 8.19 . 1 973 . 104 LEU CA C 53.32 . 1 974 . 104 LEU HA H 4.42 . 1 975 . 104 LEU CB C 41.89 . 1 976 . 104 LEU HB3 H 1.72 . 2 977 . 104 LEU HB2 H 0.95 . 2 978 . 104 LEU CG C 26.85 . 1 979 . 104 LEU HG H 1.13 . 1 980 . 104 LEU CD1 C 22.61 . 1 981 . 104 LEU HD1 H 0.76 . 2 982 . 104 LEU CD2 C 25.36 . 1 983 . 104 LEU HD2 H 0.65 . 2 984 . 104 LEU C C 173.02 . 1 985 . 105 TRP N N 128.65 . 1 986 . 105 TRP H H 9.08 . 1 987 . 105 TRP CA C 55.12 . 1 988 . 105 TRP HA H 5.35 . 1 989 . 105 TRP CB C 30.54 . 1 990 . 105 TRP HB3 H 3.14 . 2 991 . 105 TRP HB2 H 2.98 . 2 992 . 105 TRP C C 177.22 . 1 993 . 106 THR N N 112.10 . 1 994 . 106 THR H H 9.32 . 1 995 . 106 THR CA C 59.54 . 1 996 . 106 THR HA H 4.89 . 1 997 . 106 THR CB C 71.25 . 1 998 . 106 THR HB H 4.41 . 1 999 . 106 THR CG2 C 19.75 . 1 1000 . 106 THR HG2 H 0.69 . 1 1001 . 106 THR C C 174.92 . 1 1002 . 107 ASN N N 117.85 . 1 1003 . 107 ASN H H 8.56 . 1 1004 . 107 ASN CA C 51.68 . 1 1005 . 107 ASN HA H 5.38 . 1 1006 . 107 ASN CB C 39.13 . 1 1007 . 107 ASN HB3 H 2.65 . 2 1008 . 107 ASN HB2 H 2.77 . 2 1009 . 107 ASN C C 175.71 . 1 1010 . 108 THR N N 111.50 . 1 1011 . 108 THR H H 7.94 . 1 1012 . 108 THR CA C 59.72 . 1 1013 . 108 THR HA H 4.79 . 1 1014 . 108 THR CB C 70.78 . 1 1015 . 108 THR HB H 4.61 . 1 1016 . 108 THR CG2 C 20.94 . 1 1017 . 108 THR HG2 H 1.18 . 1 1018 . 108 THR C C 172.72 . 1 1019 . 109 SER CA C 57.19 . 1 1020 . 109 SER HA H 4.58 . 1 1021 . 109 SER CB C 63.55 . 1 1022 . 109 SER HB3 H 2.95 . 2 1023 . 109 SER HB2 H 3.32 . 2 1024 . 109 SER C C 175.04 . 1 1025 . 110 ALA N N 128.13 . 1 1026 . 110 ALA H H 7.88 . 1 1027 . 110 ALA CA C 51.17 . 1 1028 . 110 ALA HA H 3.87 . 1 1029 . 110 ALA CB C 18.49 . 1 1030 . 110 ALA HB H 1.10 . 1 1031 . 110 ALA C C 175.85 . 1 1032 . 111 ASN N N 119.45 . 1 1033 . 111 ASN H H 8.03 . 1 1034 . 111 ASN CA C 47.21 . 1 1035 . 111 ASN HA H 3.99 . 1 1036 . 111 ASN CB C 35.24 . 1 1037 . 111 ASN HB3 H 0.23 . 2 1038 . 111 ASN HB2 H 1.93 . 2 1039 . 112 TYR N N 121.95 . 1 1040 . 112 TYR H H 8.09 . 1 1041 . 112 TYR CA C 61.89 . 1 1042 . 112 TYR HA H 3.80 . 1 1043 . 112 TYR CB C 42.03 . 1 1044 . 112 TYR HB3 H 2.17 . 2 1045 . 112 TYR HB2 H 1.82 . 2 1046 . 112 TYR HD1 H 6.18 . 3 1047 . 112 TYR C C 173.67 . 1 1048 . 113 SER N N 114.99 . 1 1049 . 113 SER H H 8.03 . 1 1050 . 113 SER CA C 57.45 . 1 1051 . 113 SER HA H 4.73 . 1 1052 . 113 SER CB C 63.88 . 1 1053 . 113 SER HB3 H 2.85 . 2 1054 . 113 SER HB2 H 3.01 . 2 1055 . 113 SER C C 176.07 . 1 1056 . 114 LEU N N 132.26 . 1 1057 . 114 LEU H H 8.80 . 1 1058 . 114 LEU CA C 57.69 . 1 1059 . 114 LEU HA H 4.53 . 1 1060 . 114 LEU CB C 41.67 . 1 1061 . 114 LEU HB3 H 1.54 . 2 1062 . 114 LEU HB2 H 1.74 . 2 1063 . 114 LEU CG C 26.41 . 1 1064 . 114 LEU HG H 0.88 . 1 1065 . 114 LEU CD1 C 21.55 . 1 1066 . 114 LEU HD1 H -0.14 . 2 1067 . 114 LEU CD2 C 27.27 . 1 1068 . 114 LEU HD2 H 0.29 . 2 1069 . 114 LEU C C 176.79 . 1 1070 . 115 PHE N N 116.88 . 1 1071 . 115 PHE H H 9.04 . 1 1072 . 115 PHE CA C 60.43 . 1 1073 . 115 PHE HA H 3.98 . 1 1074 . 115 PHE CB C 39.62 . 1 1075 . 115 PHE HB3 H 3.28 . 2 1076 . 115 PHE HB2 H 2.66 . 2 1077 . 115 PHE CD1 C 131.67 . 3 1078 . 115 PHE HD1 H 7.20 . 3 1079 . 115 PHE CE1 C 129.60 . 3 1080 . 115 PHE HE1 H 6.67 . 3 1081 . 115 PHE C C 174.80 . 1 1082 . 116 LEU N N 115.50 . 1 1083 . 116 LEU H H 7.18 . 1 1084 . 116 LEU CA C 57.32 . 1 1085 . 116 LEU HA H 3.26 . 1 1086 . 116 LEU CB C 42.51 . 1 1087 . 116 LEU HB3 H 1.78 . 2 1088 . 116 LEU HB2 H 2.27 . 2 1089 . 116 LEU CG C 26.89 . 1 1090 . 116 LEU HG H 1.37 . 1 1091 . 116 LEU CD1 C 23.44 . 1 1092 . 116 LEU HD1 H 0.71 . 2 1093 . 116 LEU C C 177.82 . 1 1094 . 117 VAL N N 115.46 . 1 1095 . 117 VAL H H 7.93 . 1 1096 . 117 VAL CA C 64.98 . 1 1097 . 117 VAL HA H 4.78 . 1 1098 . 117 VAL CB C 32.16 . 1 1099 . 117 VAL HB H 2.37 . 1 1100 . 117 VAL CG2 C 22.43 . 1 1101 . 117 VAL HG2 H 1.33 . 2 1102 . 117 VAL CG1 C 23.39 . 1 1103 . 117 VAL HG1 H 1.59 . 2 1104 . 117 VAL C C 179.35 . 1 1105 . 118 ALA N N 121.02 . 1 1106 . 118 ALA H H 9.21 . 1 1107 . 118 ALA CA C 55.10 . 1 1108 . 118 ALA HA H 3.46 . 1 1109 . 118 ALA CB C 17.32 . 1 1110 . 118 ALA HB H 0.87 . 1 1111 . 118 ALA C C 176.86 . 1 1112 . 119 ALA N N 118.89 . 1 1113 . 119 ALA H H 7.96 . 1 1114 . 119 ALA CA C 56.65 . 1 1115 . 119 ALA HA H 3.61 . 1 1116 . 119 ALA CB C 16.20 . 1 1117 . 119 ALA HB H 0.84 . 1 1118 . 119 ALA C C 179.61 . 1 1119 . 120 HIS N N 119.18 . 1 1120 . 120 HIS H H 7.49 . 1 1121 . 120 HIS CA C 59.52 . 1 1122 . 120 HIS HA H 4.06 . 1 1123 . 120 HIS CB C 27.55 . 1 1124 . 120 HIS HB3 H 2.57 . 2 1125 . 120 HIS HB2 H 3.82 . 2 1126 . 120 HIS HD2 H 7.15 . 1 1127 . 120 HIS C C 176.59 . 1 1128 . 121 GLU N N 118.10 . 1 1129 . 121 GLU H H 9.29 . 1 1130 . 121 GLU CA C 58.02 . 1 1131 . 121 GLU HA H 3.86 . 1 1132 . 121 GLU CB C 27.60 . 1 1133 . 121 GLU HB3 H 1.79 . 2 1134 . 121 GLU HB2 H 1.75 . 2 1135 . 121 GLU CG C 33.55 . 1 1136 . 121 GLU HG3 H 2.80 . 2 1137 . 121 GLU HG2 H 1.40 . 2 1138 . 121 GLU C C 179.03 . 1 1139 . 122 PHE N N 118.38 . 1 1140 . 122 PHE H H 9.27 . 1 1141 . 122 PHE CA C 55.66 . 1 1142 . 122 PHE HA H 4.53 . 1 1143 . 122 PHE CB C 35.23 . 1 1144 . 122 PHE HB3 H 2.72 . 1 1145 . 122 PHE HB2 H 2.72 . 1 1146 . 122 PHE CD1 C 128.56 . 3 1147 . 122 PHE HD1 H 6.06 . 3 1148 . 122 PHE CE1 C 128.56 . 3 1149 . 122 PHE HE1 H 6.47 . 3 1150 . 122 PHE C C 177.57 . 1 1151 . 123 GLY N N 109.12 . 1 1152 . 123 GLY H H 7.72 . 1 1153 . 123 GLY CA C 48.09 . 1 1154 . 123 GLY HA3 H 2.45 . 2 1155 . 123 GLY HA2 H 3.94 . 2 1156 . 123 GLY C C 177.50 . 1 1157 . 124 HIS N N 121.57 . 1 1158 . 124 HIS H H 7.18 . 1 1159 . 124 HIS CA C 58.05 . 1 1160 . 124 HIS HA H 4.87 . 1 1161 . 124 HIS CB C 28.09 . 1 1162 . 124 HIS HB3 H 3.67 . 2 1163 . 124 HIS HB2 H 2.59 . 2 1164 . 124 HIS C C 180.36 . 1 1165 . 125 ALA N N 124.56 . 1 1166 . 125 ALA H H 8.71 . 1 1167 . 125 ALA CA C 53.49 . 1 1168 . 125 ALA HA H 4.49 . 1 1169 . 125 ALA CB C 18.31 . 1 1170 . 125 ALA HB H 1.68 . 1 1171 . 125 ALA C C 176.95 . 1 1172 . 126 MET N N 111.91 . 1 1173 . 126 MET H H 7.26 . 1 1174 . 126 MET CA C 54.01 . 1 1175 . 126 MET HA H 4.94 . 1 1176 . 126 MET CB C 33.83 . 1 1177 . 126 MET HB3 H 2.15 . 2 1178 . 126 MET HB2 H 1.96 . 2 1179 . 126 MET CG C 33.05 . 1 1180 . 126 MET HG3 H 2.68 . 2 1181 . 126 MET HG2 H 2.41 . 2 1182 . 126 MET C C 178.55 . 1 1183 . 127 GLY N N 107.44 . 1 1184 . 127 GLY H H 8.13 . 1 1185 . 127 GLY CA C 44.12 . 1 1186 . 127 GLY HA3 H 3.32 . 2 1187 . 127 GLY HA2 H 4.74 . 2 1188 . 127 GLY C C 173.92 . 1 1189 . 128 LEU N N 119.41 . 1 1190 . 128 LEU H H 8.05 . 1 1191 . 128 LEU CA C 54.89 . 1 1192 . 128 LEU HA H 4.34 . 1 1193 . 128 LEU CB C 41.49 . 1 1194 . 128 LEU HB3 H 1.08 . 2 1195 . 128 LEU HB2 H 1.39 . 2 1196 . 128 LEU CG C 26.77 . 1 1197 . 128 LEU HG H 1.27 . 1 1198 . 128 LEU CD1 C 21.52 . 1 1199 . 128 LEU HD1 H 0.63 . 2 1200 . 128 LEU CD2 C 26.43 . 1 1201 . 128 LEU HD2 H 0.69 . 2 1202 . 128 LEU C C 176.89 . 1 1203 . 129 GLU N N 120.37 . 1 1204 . 129 GLU H H 8.20 . 1 1205 . 129 GLU CA C 53.43 . 1 1206 . 129 GLU HA H 4.47 . 1 1207 . 129 GLU CB C 31.57 . 1 1208 . 129 GLU HB3 H 1.82 . 2 1209 . 129 GLU HB2 H 2.22 . 2 1210 . 129 GLU CG C 36.59 . 1 1211 . 129 GLU HG3 H 2.03 . 2 1212 . 129 GLU HG2 H 2.43 . 2 1213 . 129 GLU C C 175.67 . 1 1214 . 130 HIS N N 115.24 . 1 1215 . 130 HIS H H 8.36 . 1 1216 . 130 HIS CA C 56.05 . 1 1217 . 130 HIS HA H 5.19 . 1 1218 . 130 HIS CB C 29.25 . 1 1219 . 130 HIS HB3 H 3.09 . 1 1220 . 130 HIS HB2 H 3.09 . 1 1221 . 130 HIS CD2 C 125.20 . 1 1222 . 130 HIS HD2 H 6.76 . 1 1223 . 130 HIS C C 175.41 . 1 1224 . 131 SER N N 114.00 . 1 1225 . 131 SER H H 7.47 . 1 1226 . 131 SER CA C 55.66 . 1 1227 . 131 SER HA H 4.59 . 1 1228 . 131 SER CB C 64.67 . 1 1229 . 131 SER HB3 H 3.12 . 2 1230 . 131 SER HB2 H 4.17 . 2 1231 . 131 SER C C 176.12 . 1 1232 . 132 GLN N N 124.16 . 1 1233 . 132 GLN H H 8.84 . 1 1234 . 132 GLN CA C 55.96 . 1 1235 . 132 GLN HA H 4.40 . 1 1236 . 132 GLN CB C 29.04 . 1 1237 . 132 GLN HB3 H 1.88 . 1 1238 . 132 GLN HB2 H 1.88 . 1 1239 . 132 GLN CG C 34.27 . 1 1240 . 132 GLN HG3 H 2.31 . 2 1241 . 132 GLN HG2 H 2.38 . 2 1242 . 132 GLN C C 175.55 . 1 1243 . 133 ASP N N 124.80 . 1 1244 . 133 ASP H H 8.85 . 1 1245 . 133 ASP CA C 51.35 . 1 1246 . 133 ASP HA H 4.83 . 1 1247 . 133 ASP CB C 41.46 . 1 1248 . 133 ASP HB3 H 2.36 . 2 1249 . 133 ASP HB2 H 2.92 . 2 1250 . 133 ASP C C 175.95 . 1 1251 . 134 PRO CA C 63.99 . 1 1252 . 134 PRO HA H 4.38 . 1 1253 . 134 PRO CB C 31.94 . 1 1254 . 134 PRO HB3 H 1.97 . 2 1255 . 134 PRO HB2 H 2.32 . 2 1256 . 134 PRO CG C 26.89 . 1 1257 . 134 PRO HG3 H 2.06 . 1 1258 . 134 PRO HG2 H 2.06 . 1 1259 . 134 PRO CD C 50.76 . 1 1260 . 134 PRO HD2 H 4.11 . 2 1261 . 134 PRO HD3 H 3.89 . 2 1262 . 134 PRO C C 177.99 . 1 1263 . 135 GLY N N 108.31 . 1 1264 . 135 GLY H H 8.95 . 1 1265 . 135 GLY CA C 44.57 . 1 1266 . 135 GLY HA3 H 4.37 . 2 1267 . 135 GLY HA2 H 3.63 . 2 1268 . 135 GLY C C 172.92 . 1 1269 . 136 ALA N N 121.50 . 1 1270 . 136 ALA H H 7.36 . 1 1271 . 136 ALA CA C 51.37 . 1 1272 . 136 ALA HA H 4.60 . 1 1273 . 136 ALA CB C 19.73 . 1 1274 . 136 ALA HB H 1.71 . 1 1275 . 136 ALA C C 178.84 . 1 1276 . 137 LEU N N 128.98 . 1 1277 . 137 LEU H H 11.45 . 1 1278 . 137 LEU CA C 56.90 . 1 1279 . 137 LEU HA H 4.22 . 1 1280 . 137 LEU CB C 41.08 . 1 1281 . 137 LEU HB3 H 1.47 . 2 1282 . 137 LEU HB2 H 1.67 . 2 1283 . 137 LEU CG C 27.15 . 1 1284 . 137 LEU HG H 1.30 . 1 1285 . 137 LEU CD1 C 27.91 . 1 1286 . 137 LEU HD1 H 0.66 . 2 1287 . 137 LEU CD2 C 21.84 . 1 1288 . 137 LEU HD2 H 0.31 . 2 1289 . 137 LEU C C 178.22 . 1 1290 . 138 MET N N 110.94 . 1 1291 . 138 MET H H 7.79 . 1 1292 . 138 MET CA C 52.08 . 1 1293 . 138 MET HA H 4.74 . 1 1294 . 138 MET CB C 25.98 . 1 1295 . 138 MET HB3 H 2.20 . 2 1296 . 138 MET HB2 H 2.53 . 2 1297 . 138 MET CG C 30.23 . 1 1298 . 138 MET HG3 H 2.65 . 1 1299 . 138 MET HG2 H 2.65 . 1 1300 . 138 MET C C 176.50 . 1 1301 . 139 ALA N N 126.33 . 1 1302 . 139 ALA H H 7.72 . 1 1303 . 139 ALA CA C 50.93 . 1 1304 . 139 ALA HA H 4.15 . 1 1305 . 139 ALA CB C 19.15 . 1 1306 . 139 ALA HB H 1.18 . 1 1307 . 139 ALA C C 177.07 . 1 1308 . 140 PRO CA C 63.08 . 1 1309 . 140 PRO HA H 3.71 . 1 1310 . 140 PRO CB C 29.77 . 1 1311 . 140 PRO HB3 H 0.85 . 2 1312 . 140 PRO HB2 H 2.09 . 2 1313 . 140 PRO CG C 26.64 . 1 1314 . 140 PRO HG3 H 1.80 . 2 1315 . 140 PRO HG2 H 1.98 . 2 1316 . 140 PRO CD C 50.07 . 1 1317 . 140 PRO HD2 H 3.83 . 2 1318 . 140 PRO HD3 H 3.67 . 2 1319 . 140 PRO C C 173.68 . 1 1320 . 141 ILE N N 116.58 . 1 1321 . 141 ILE H H 6.90 . 1 1322 . 141 ILE CA C 59.07 . 1 1323 . 141 ILE HA H 4.45 . 1 1324 . 141 ILE CB C 41.71 . 1 1325 . 141 ILE HB H 1.64 . 1 1326 . 141 ILE CG1 C 26.89 . 1 1327 . 141 ILE HG13 H 1.03 . 2 1328 . 141 ILE HG12 H 1.32 . 2 1329 . 141 ILE CD1 C 12.80 . 1 1330 . 141 ILE HD1 H 0.84 . 1 1331 . 141 ILE CG2 C 16.88 . 1 1332 . 141 ILE HG2 H 0.79 . 1 1333 . 141 ILE C C 175.00 . 1 1334 . 142 TYR N N 128.40 . 1 1335 . 142 TYR H H 8.80 . 1 1336 . 142 TYR CA C 58.74 . 1 1337 . 142 TYR HA H 3.92 . 1 1338 . 142 TYR CB C 38.08 . 1 1339 . 142 TYR HB3 H 3.36 . 1 1340 . 142 TYR HB2 H 3.36 . 1 1341 . 142 TYR HD1 H 6.95 . 3 1342 . 142 TYR HE1 H 7.15 . 3 1343 . 142 TYR C C 173.73 . 1 1344 . 143 THR CA C 61.26 . 1 1345 . 143 THR HA H 3.81 . 1 1346 . 143 THR CB C 71.47 . 1 1347 . 143 THR HB H 3.52 . 1 1348 . 143 THR CG2 C 20.94 . 1 1349 . 143 THR HG2 H 1.02 . 1 1350 . 143 THR C C 170.34 . 1 1351 . 144 TYR N N 121.39 . 1 1352 . 144 TYR H H 8.23 . 1 1353 . 144 TYR CA C 59.28 . 1 1354 . 144 TYR HA H 3.94 . 1 1355 . 144 TYR CB C 38.67 . 1 1356 . 144 TYR HB3 H 3.36 . 2 1357 . 144 TYR HB2 H 2.62 . 2 1358 . 144 TYR CD1 C 131.93 . 3 1359 . 144 TYR HD1 H 7.03 . 3 1360 . 144 TYR CE1 C 118.22 . 3 1361 . 144 TYR HE1 H 6.74 . 3 1362 . 144 TYR C C 175.49 . 1 1363 . 145 THR N N 119.93 . 1 1364 . 145 THR H H 5.37 . 1 1365 . 145 THR CA C 59.04 . 1 1366 . 145 THR HA H 4.21 . 1 1367 . 145 THR CB C 69.32 . 1 1368 . 145 THR HB H 3.94 . 1 1369 . 145 THR CG2 C 19.49 . 1 1370 . 145 THR HG2 H 1.09 . 1 1371 . 145 THR C C 170.73 . 1 1372 . 146 LYS N N 125.59 . 1 1373 . 146 LYS H H 8.30 . 1 1374 . 146 LYS CA C 56.83 . 1 1375 . 146 LYS HA H 4.53 . 1 1376 . 146 LYS CB C 33.17 . 1 1377 . 146 LYS HB3 H 2.21 . 1 1378 . 146 LYS HB2 H 2.21 . 1 1379 . 146 LYS C C 176.32 . 1 1380 . 148 PHE CA C 60.42 . 1 1381 . 148 PHE HA H 3.96 . 1 1382 . 148 PHE CB C 39.99 . 1 1383 . 148 PHE HB3 H 2.98 . 2 1384 . 148 PHE HB2 H 2.92 . 2 1385 . 148 PHE CD1 C 130.63 . 3 1386 . 148 PHE HD1 H 7.04 . 3 1387 . 148 PHE CE1 C 128.31 . 3 1388 . 148 PHE HE1 H 6.82 . 3 1389 . 148 PHE C C 174.57 . 1 1390 . 149 ARG N N 126.17 . 1 1391 . 149 ARG H H 6.51 . 1 1392 . 149 ARG CA C 54.66 . 1 1393 . 149 ARG HA H 3.76 . 1 1394 . 149 ARG CB C 32.23 . 1 1395 . 149 ARG HB3 H 1.46 . 2 1396 . 149 ARG HB2 H 1.56 . 2 1397 . 149 ARG CG C 25.87 . 1 1398 . 149 ARG HG3 H 1.36 . 2 1399 . 149 ARG HG2 H 1.41 . 2 1400 . 149 ARG CD C 43.29 . 1 1401 . 149 ARG HD3 H 3.02 . 1 1402 . 149 ARG HD2 H 3.02 . 1 1403 . 149 ARG C C 173.67 . 1 1404 . 150 LEU N N 122.99 . 1 1405 . 150 LEU H H 8.25 . 1 1406 . 150 LEU CA C 54.78 . 1 1407 . 150 LEU HA H 3.73 . 1 1408 . 150 LEU CB C 42.87 . 1 1409 . 150 LEU HB3 H 1.42 . 2 1410 . 150 LEU HB2 H 1.48 . 2 1411 . 150 LEU CG C 27.18 . 1 1412 . 150 LEU HG H 1.05 . 1 1413 . 150 LEU CD1 C 24.42 . 1 1414 . 150 LEU HD1 H 0.32 . 2 1415 . 150 LEU CD2 C 26.24 . 1 1416 . 150 LEU HD2 H 0.48 . 2 1417 . 150 LEU C C 176.87 . 1 1418 . 151 SER N N 118.69 . 1 1419 . 151 SER H H 8.25 . 1 1420 . 151 SER CA C 58.01 . 1 1421 . 151 SER HA H 4.54 . 1 1422 . 151 SER CB C 65.69 . 1 1423 . 151 SER HB3 H 4.01 . 2 1424 . 151 SER HB2 H 4.22 . 2 1425 . 151 SER C C 175.29 . 1 1426 . 152 GLN N N 120.89 . 1 1427 . 152 GLN H H 8.95 . 1 1428 . 152 GLN CA C 58.68 . 1 1429 . 152 GLN HA H 4.02 . 1 1430 . 152 GLN CB C 27.73 . 1 1431 . 152 GLN HB3 H 2.10 . 1 1432 . 152 GLN HB2 H 2.10 . 1 1433 . 152 GLN CG C 33.85 . 1 1434 . 152 GLN HG3 H 2.45 . 1 1435 . 152 GLN HG2 H 2.45 . 1 1436 . 152 GLN C C 177.93 . 1 1437 . 153 ASP N N 119.16 . 1 1438 . 153 ASP H H 8.21 . 1 1439 . 153 ASP CA C 58.16 . 1 1440 . 153 ASP HA H 4.34 . 1 1441 . 153 ASP CB C 43.66 . 1 1442 . 153 ASP HB3 H 2.73 . 2 1443 . 153 ASP HB2 H 2.44 . 2 1444 . 153 ASP C C 178.46 . 1 1445 . 154 ASP N N 117.84 . 1 1446 . 154 ASP H H 7.44 . 1 1447 . 154 ASP CA C 57.52 . 1 1448 . 154 ASP HA H 4.73 . 1 1449 . 154 ASP CB C 43.62 . 1 1450 . 154 ASP HB3 H 2.85 . 2 1451 . 154 ASP HB2 H 3.03 . 2 1452 . 154 ASP C C 177.52 . 1 1453 . 155 ILE N N 118.66 . 1 1454 . 155 ILE H H 7.88 . 1 1455 . 155 ILE CA C 65.41 . 1 1456 . 155 ILE HA H 3.65 . 1 1457 . 155 ILE CB C 38.22 . 1 1458 . 155 ILE HB H 1.79 . 1 1459 . 155 ILE CG1 C 30.55 . 1 1460 . 155 ILE HG13 H 1.82 . 1 1461 . 155 ILE HG12 H 1.82 . 1 1462 . 155 ILE CD1 C 16.77 . 1 1463 . 155 ILE HD1 H 0.88 . 1 1464 . 155 ILE CG2 C 13.28 . 1 1465 . 155 ILE HG2 H 0.77 . 1 1466 . 155 ILE C C 177.40 . 1 1467 . 156 LYS N N 119.10 . 1 1468 . 156 LYS H H 8.56 . 1 1469 . 156 LYS CA C 59.14 . 1 1470 . 156 LYS HA H 4.09 . 1 1471 . 156 LYS CB C 31.95 . 1 1472 . 156 LYS HB3 H 1.90 . 1 1473 . 156 LYS HB2 H 1.90 . 1 1474 . 156 LYS CG C 24.44 . 1 1475 . 156 LYS HG3 H 1.43 . 2 1476 . 156 LYS HG2 H 1.57 . 2 1477 . 156 LYS CD C 29.15 . 1 1478 . 156 LYS HD3 H 1.68 . 1 1479 . 156 LYS HD2 H 1.68 . 1 1480 . 156 LYS CE C 42.00 . 1 1481 . 156 LYS HE3 H 2.98 . 1 1482 . 156 LYS HE2 H 2.98 . 1 1483 . 156 LYS C C 180.00 . 1 1484 . 157 GLY N N 105.28 . 1 1485 . 157 GLY H H 8.04 . 1 1486 . 157 GLY CA C 47.14 . 1 1487 . 157 GLY HA3 H 3.82 . 2 1488 . 157 GLY HA2 H 3.96 . 2 1489 . 157 GLY C C 176.77 . 1 1490 . 158 ILE N N 122.16 . 1 1491 . 158 ILE H H 8.45 . 1 1492 . 158 ILE CA C 60.96 . 1 1493 . 158 ILE HA H 4.53 . 1 1494 . 158 ILE CB C 38.43 . 1 1495 . 158 ILE HB H 2.16 . 1 1496 . 158 ILE CG1 C 31.18 . 1 1497 . 158 ILE HG13 H 1.68 . 2 1498 . 158 ILE HG12 H 1.89 . 2 1499 . 158 ILE CD1 C 14.49 . 1 1500 . 158 ILE HD1 H 0.81 . 1 1501 . 158 ILE CG2 C 20.13 . 1 1502 . 158 ILE HG2 H 1.55 . 1 1503 . 158 ILE C C 177.77 . 1 1504 . 159 GLN N N 123.47 . 1 1505 . 159 GLN H H 8.58 . 1 1506 . 159 GLN CA C 58.36 . 1 1507 . 159 GLN HA H 4.39 . 1 1508 . 159 GLN CB C 27.16 . 1 1509 . 159 GLN HB3 H 2.27 . 2 1510 . 159 GLN HB2 H 2.01 . 2 1511 . 159 GLN CG C 34.91 . 1 1512 . 159 GLN HG3 H 2.67 . 2 1513 . 159 GLN HG2 H 2.94 . 2 1514 . 159 GLN C C 179.31 . 1 1515 . 160 GLU N N 120.15 . 1 1516 . 160 GLU H H 7.97 . 1 1517 . 160 GLU CA C 58.89 . 1 1518 . 160 GLU HA H 4.04 . 1 1519 . 160 GLU CB C 29.15 . 1 1520 . 160 GLU HB3 H 2.06 . 2 1521 . 160 GLU HB2 H 2.23 . 2 1522 . 160 GLU CG C 36.34 . 1 1523 . 160 GLU HG3 H 2.45 . 2 1524 . 160 GLU HG2 H 2.25 . 2 1525 . 160 GLU C C 177.89 . 1 1526 . 161 LEU N N 116.06 . 1 1527 . 161 LEU H H 6.81 . 1 1528 . 161 LEU CA C 56.50 . 1 1529 . 161 LEU HA H 4.07 . 1 1530 . 161 LEU CB C 44.12 . 1 1531 . 161 LEU HB3 H 0.72 . 2 1532 . 161 LEU HB2 H 1.71 . 2 1533 . 161 LEU CG C 26.92 . 1 1534 . 161 LEU HG H 1.51 . 1 1535 . 161 LEU CD1 C 23.05 . 1 1536 . 161 LEU HD1 H 0.69 . 2 1537 . 161 LEU CD2 C 25.36 . 1 1538 . 161 LEU HD2 H 0.82 . 2 1539 . 161 LEU C C 177.38 . 1 1540 . 162 TYR N N 113.69 . 1 1541 . 162 TYR H H 7.83 . 1 1542 . 162 TYR CA C 58.84 . 1 1543 . 162 TYR HA H 4.67 . 1 1544 . 162 TYR CB C 39.84 . 1 1545 . 162 TYR HB3 H 3.27 . 2 1546 . 162 TYR HB2 H 2.77 . 2 1547 . 162 TYR CD1 C 133.74 . 3 1548 . 162 TYR HD1 H 7.44 . 3 1549 . 162 TYR CE1 C 117.44 . 3 1550 . 162 TYR HE1 H 7.21 . 3 1551 . 162 TYR C C 175.00 . 1 1552 . 163 GLY N N 115.79 . 1 1553 . 163 GLY H H 8.13 . 1 1554 . 163 GLY CA C 45.90 . 1 1555 . 163 GLY HA3 H 3.86 . 1 1556 . 163 GLY HA2 H 3.86 . 1 1557 . 163 GLY C C 178.43 . 1 stop_ save_