data_4712 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C Assignments and secondary structure of nFGF ; _BMRB_accession_number 4712 _BMRB_flat_file_name bmr4712.str _Entry_type original _Submission_date 2000-04-10 _Accession_date 2000-04-17 _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 Alphonse Arunkumar I. . 2 Thallampuranam 'Suresh Kumar' K. . 3 Sampath Srisailam . . 4 Kathir K. M. . 5 Yu Chin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 673 "13C chemical shifts" 530 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-07-24 original author . stop_ _Original_release_date 2000-07-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N chemical shift assignments of the acidic fibroblast growth factor from Notopthalmus viridescens ; _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 Arunkumar Alphonse I. . 2 Srisailam Sampath . . 3 Kumar Thallampuranam K.S. . 4 Kathir K. M. . 5 Peng C. L. . 6 Chen C. . . 7 Chiu I. M. . 8 Yu Chin . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 17 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 279 _Page_last 280 _Year 2000 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_Ref_2 _Saveframe_category citation _Citation_full ; Growth Factors 1997;14(1):39-57 Amphibian FGF-1 is structurally and functionally similar to but antigenically distinguishable from its mammalian counterpart. Patrie K, Botelho MJ, Ray SK, Mehta VB, Chiu IM ; _Citation_title 'Amphibian FGF-1 is structurally and functionally similar to but antigenically distinguishable from its mammalian counterpart.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9086327 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Patrie K . . 2 Botelho 'M J' J. . 3 Ray 'S K' K. . 4 Mehta 'V B' B. . 5 Chiu 'I M' M. . stop_ _Journal_abbreviation 'Growth Factors' _Journal_name_full 'Growth factors (Chur, Switzerland)' _Journal_volume 14 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 39 _Page_last 57 _Year 1997 _Details ; Recent studies have shown that fibroblast growth factors (FGF) play an important role in the diverse cellular mechanisms involved with vertebrate development. One system which has received a great deal of attention is the developing limb in part because of the extensive epithelial-mesenchymal interactions that take place during this process. Because it closely parallels the developmental process of the limb and is a model for wound repair, the phenomenon of amphibian limb regeneration has been used to investigate the role of FGF in these processes. We have recently reported on the cloning and functional characterization of an FGF receptor (FGFR) isolated from amphibian regenerative tissue. In this report, we describe the isolation and characterization of an FGF-1 molecule from the newt, Notophthalmus viridescens. Amino acid sequence comparisons indicate that the newt FGF-1 exhibits between 79 to 83% identity with FGF-1 from mammalian and avian species. The full length cDNA of the newt FGF-1 was cloned into a prokaryotic expression vector and purified from E. coli. Although the newt FGF-1 shares a high degree of primary amino acid sequence similarity with other FGF-1 molecules, the recombinant protein was not detected in a Western blot analysis using a polyclonal antibody directed against mammalian FGF-1. Despite the antigenic divergence, the newt FGF-1 was capable of binding to NIH/3T3 and Chinese hamster ovary cells overexpressing mammalian and amphibian FGFRs with dissociation constants comparable to those reported for mammalian FGF-1. Newt FGF-1 could also be cross-linked to receptors on the surface of NIH/3T3 cells. In addition, it elicits a mitogenic response in NIH/3T3 cells indistinguishable from human recombinant FGF-1. ; save_ ################################## # Molecular system description # ################################## save_system_nFGF _Saveframe_category molecular_system _Mol_system_name 'newt acidic FGF' _Abbreviation_common nFGF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label nFGF $nFGF 'sucrose octasulfate' $entity_SCR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function mitogen stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_nFGF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'newt acidic FGF' _Abbreviation_common nFGF _Molecular_mass 15021 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; QKPKLLYCSNGGYFLRIFPD GKVDGTRDRSDPYIQLQFYA ESVGEVYIKSLETGQYLAMD SDGQLYASQSPSEECLFLER LEENNYNTYKSKVHADKDWF VGIKKNGKTKPGSRTHFGQK AILFLPLPVSSD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 23 GLN 2 24 LYS 3 25 PRO 4 26 LYS 5 27 LEU 6 28 LEU 7 29 TYR 8 30 CYS 9 31 SER 10 32 ASN 11 33 GLY 12 34 GLY 13 35 TYR 14 36 PHE 15 37 LEU 16 38 ARG 17 39 ILE 18 40 PHE 19 41 PRO 20 42 ASP 21 43 GLY 22 44 LYS 23 45 VAL 24 46 ASP 25 47 GLY 26 48 THR 27 49 ARG 28 50 ASP 29 51 ARG 30 52 SER 31 53 ASP 32 54 PRO 33 55 TYR 34 56 ILE 35 57 GLN 36 58 LEU 37 59 GLN 38 60 PHE 39 61 TYR 40 62 ALA 41 63 GLU 42 64 SER 43 65 VAL 44 66 GLY 45 67 GLU 46 68 VAL 47 69 TYR 48 70 ILE 49 71 LYS 50 72 SER 51 73 LEU 52 74 GLU 53 75 THR 54 76 GLY 55 77 GLN 56 78 TYR 57 79 LEU 58 80 ALA 59 81 MET 60 82 ASP 61 83 SER 62 84 ASP 63 85 GLY 64 86 GLN 65 87 LEU 66 88 TYR 67 89 ALA 68 90 SER 69 91 GLN 70 92 SER 71 93 PRO 72 94 SER 73 95 GLU 74 96 GLU 75 97 CYS 76 98 LEU 77 99 PHE 78 100 LEU 79 101 GLU 80 102 ARG 81 103 LEU 82 104 GLU 83 105 GLU 84 106 ASN 85 107 ASN 86 108 TYR 87 109 ASN 88 110 THR 89 111 TYR 90 112 LYS 91 113 SER 92 114 LYS 93 115 VAL 94 116 HIS 95 117 ALA 96 118 ASP 97 119 LYS 98 120 ASP 99 121 TRP 100 122 PHE 101 123 VAL 102 124 GLY 103 125 ILE 104 126 LYS 105 127 LYS 106 128 ASN 107 129 GLY 108 130 LYS 109 131 THR 110 132 LYS 111 133 PRO 112 134 GLY 113 135 SER 114 136 ARG 115 137 THR 116 138 HIS 117 139 PHE 118 140 GLY 119 141 GLN 120 142 LYS 121 143 ALA 122 144 ILE 123 145 LEU 124 146 PHE 125 147 LEU 126 148 PRO 127 149 LEU 128 150 PRO 129 151 VAL 130 152 SER 131 153 SER 132 154 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-03 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 1FMM "Solution Structure Of Nfgf-1" 100.00 132 100.00 100.00 3.64e-92 SP Q7SIF8 "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" 100.00 132 100.00 100.00 3.64e-92 stop_ save_ ############# # Ligands # ############# save_SCR _Saveframe_category ligand _Mol_type "non-polymer (SACCHARIDE)" _Name_common 'SUCROSE OCTASULFATE' _BMRB_code SCR _PDB_code SCR _Molecular_mass 982.802 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? O22 O22 O . 0 . ? O23 O23 O . 0 . ? O24 O24 O . 0 . ? O3 O3 O . 0 . ? O32 O32 O . 0 . ? O33 O33 O . 0 . ? O34 O34 O . 0 . ? O4 O4 O . 0 . ? O42 O42 O . 0 . ? O43 O43 O . 0 . ? O44 O44 O . 0 . ? O5 O5 O . 0 . ? O6 O6 O . 0 . ? O62 O62 O . 0 . ? O63 O63 O . 0 . ? O64 O64 O . 0 . ? O10 O10 O . 0 . ? O51 O51 O . 0 . ? O52 O52 O . 0 . ? O53 O53 O . 0 . ? O54 O54 O . 0 . ? O71 O71 O . 0 . ? O72 O72 O . 0 . ? O73 O73 O . 0 . ? O74 O74 O . 0 . ? O81 O81 O . 0 . ? O82 O82 O . 0 . ? O83 O83 O . 0 . ? O84 O84 O . 0 . ? O91 O91 O . 0 . ? O92 O92 O . 0 . ? O93 O93 O . 0 . ? O94 O94 O . 0 . ? S2 S2 S . 0 . ? S3 S3 S . 0 . ? S4 S4 S . 0 . ? S6 S6 S . 0 . ? S11 S11 S . 0 . ? S12 S12 S . 0 . ? S13 S13 S . 0 . ? S14 S14 S . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H13 H13 H . 0 . ? H14 H14 H . 0 . ? H15 H15 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? H24 H24 H . 0 . ? H34 H34 H . 0 . ? H44 H44 H . 0 . ? H64 H64 H . 0 . ? H54 H54 H . 0 . ? H74 H74 H . 0 . ? H84 H84 H . 0 . ? H94 H94 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 C1 C2 ? ? SING C1 O1 ? ? SING C1 O5 ? ? SING C1 H1 ? ? SING C2 C3 ? ? SING C2 O2 ? ? SING C2 H2 ? ? SING C3 C4 ? ? SING C3 O3 ? ? SING C3 H3 ? ? SING C4 C5 ? ? SING C4 O4 ? ? SING C4 H4 ? ? SING C5 C6 ? ? SING C5 O5 ? ? SING C5 H5 ? ? SING C6 O6 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C11 C12 ? ? SING C11 O81 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 C13 ? ? SING C12 O1 ? ? SING C12 O10 ? ? SING C13 C14 ? ? SING C13 O91 ? ? SING C13 H13 ? ? SING C14 C15 ? ? SING C14 O71 ? ? SING C14 H14 ? ? SING C15 C16 ? ? SING C15 O10 ? ? SING C15 H15 ? ? SING C16 O51 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING O2 S2 ? ? DOUB O22 S2 ? ? DOUB O23 S2 ? ? SING O24 S2 ? ? SING O24 H24 ? ? SING O3 S3 ? ? DOUB O32 S3 ? ? DOUB O33 S3 ? ? SING O34 S3 ? ? SING O34 H34 ? ? SING O4 S4 ? ? DOUB O42 S4 ? ? DOUB O43 S4 ? ? SING O44 S4 ? ? SING O44 H44 ? ? SING O6 S6 ? ? DOUB O62 S6 ? ? DOUB O63 S6 ? ? SING O64 S6 ? ? SING O64 H64 ? ? SING O51 S14 ? ? DOUB O52 S14 ? ? DOUB O53 S14 ? ? SING O54 S14 ? ? SING O54 H54 ? ? SING O71 S13 ? ? DOUB O72 S13 ? ? DOUB O73 S13 ? ? SING O74 S13 ? ? SING O74 H74 ? ? SING O81 S11 ? ? DOUB O82 S11 ? ? DOUB O83 S11 ? ? SING O84 S11 ? ? SING O84 H84 ? ? SING O91 S12 ? ? DOUB O92 S12 ? ? DOUB O93 S12 ? ? SING O94 S12 ? ? SING O94 H94 ? ? 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 $nFGF newt 8316 Eukaryota Metazoa Notopthalmus viridescens 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 $nFGF 'recombinant technology' 'E. coli' Escherichia coli 'BL21(DE3) pLYS(S)' . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Concentration of sucrose octasulfate and nFGF is 1:1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $nFGF . mM 1.5 2 '[U-95% 13C; U-90% 15N]' $entity_SCR . mM 1.5 2 . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR-AURELIA _Saveframe_category software _Name XWINNMR-AURELIA _Version 2.1/2.1.5 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-EDITED_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-EDITED TOCSY' _Sample_label $sample_1 save_ save_15N-EDITED_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-EDITED NOESY' _Sample_label $sample_1 save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_13C-EDITED_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-EDITED NOESY' _Sample_label $sample_1 save_ save_HC-CH_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HC-CH TOCSY' _Sample_label $sample_1 save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $sample_1 save_ save_HCC0NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCC0NH _Sample_label $sample_1 save_ save_CBCBCONH_10 _Saveframe_category NMR_applied_experiment _Experiment_name CBCBCONH _Sample_label $sample_1 save_ save_CBCANH_11 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $sample_1 save_ save_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.0 internal direct . internal . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_nFGF-1A _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name nFGF _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 GLN CA C 59.60 . 1 2 . 1 GLN CB C 28.42 . 1 3 . 2 LYS N N 123.80 . 1 4 . 2 LYS H H 8.54 . 1 5 . 2 LYS CA C 54.75 . 1 6 . 3 PRO C C 175.38 . 1 7 . 3 PRO CA C 63.00 . 1 8 . 3 PRO HA H 4.77 . 1 9 . 3 PRO CB C 32.94 . 1 10 . 3 PRO HB2 H 1.90 . 2 11 . 3 PRO HB3 H 1.77 . 2 12 . 3 PRO HG2 H 2.03 . 2 13 . 3 PRO HD2 H 3.86 . 2 14 . 3 PRO HD3 H 3.61 . 2 15 . 3 PRO CG C 27.80 . 1 16 . 3 PRO CD C 51.00 . 1 17 . 4 LYS N N 119.61 . 1 18 . 4 LYS H H 9.34 . 1 19 . 4 LYS C C 174.91 . 1 20 . 4 LYS CA C 54.29 . 1 21 . 4 LYS HA H 4.94 . 1 22 . 4 LYS CB C 38.40 . 1 23 . 4 LYS HB2 H 1.67 . 1 24 . 4 LYS HB3 H 1.47 . 1 25 . 4 LYS HG2 H 1.42 . 4 26 . 4 LYS HD2 H 1.36 . 4 27 . 4 LYS CG C 24.96 . 1 28 . 4 LYS CD C 29.55 . 1 29 . 4 LYS CE C 42.57 . 1 30 . 5 LEU N N 117.99 . 1 31 . 5 LEU H H 9.18 . 1 32 . 5 LEU C C 176.63 . 1 33 . 5 LEU CA C 52.76 . 1 34 . 5 LEU HA H 4.80 . 1 35 . 5 LEU CB C 44.95 . 1 36 . 5 LEU HB2 H 1.72 . 1 37 . 5 LEU HB3 H 1.57 . 1 38 . 5 LEU HG H 1.44 . 1 39 . 5 LEU HD1 H 0.50 . 2 40 . 5 LEU HD2 H 0.47 . 2 41 . 5 LEU CG C 26.90 . 1 42 . 5 LEU CD1 C 25.68 . 1 43 . 5 LEU CD2 C 24.14 . 1 44 . 6 LEU N N 125.08 . 1 45 . 6 LEU H H 10.42 . 1 46 . 6 LEU C C 175.12 . 1 47 . 6 LEU CA C 54.09 . 1 48 . 6 LEU HA H 4.94 . 1 49 . 6 LEU CB C 43.42 . 1 50 . 6 LEU HB2 H 1.62 . 2 51 . 6 LEU HB3 H 1.36 . 2 52 . 6 LEU HG H 1.48 . 1 53 . 6 LEU HD1 H 0.37 . 2 54 . 6 LEU CG C 26.99 . 1 55 . 6 LEU CD1 C 24.00 . 1 56 . 7 TYR N N 126.16 . 1 57 . 7 TYR H H 8.49 . 1 58 . 7 TYR C C 174.35 . 1 59 . 7 TYR CA C 57.16 . 1 60 . 7 TYR HA H 4.34 . 1 61 . 7 TYR CB C 40.12 . 1 62 . 7 TYR HB2 H 3.38 . 2 63 . 7 TYR HB3 H 2.82 . 2 64 . 7 TYR HD1 H 6.49 . 3 65 . 7 TYR HE1 H 6.54 . 3 66 . 7 TYR CD1 C 133.79 . 1 67 . 7 TYR CE1 C 117.95 . 1 68 . 8 CYS N N 129.87 . 1 69 . 8 CYS H H 9.38 . 1 70 . 8 CYS C C 174.70 . 1 71 . 8 CYS CA C 57.72 . 1 72 . 8 CYS HA H 3.98 . 1 73 . 8 CYS CB C 29.36 . 1 74 . 8 CYS HB2 H 2.49 . 2 75 . 8 CYS HB3 H 2.15 . 2 76 . 9 SER N N 121.97 . 1 77 . 9 SER H H 8.40 . 1 78 . 9 SER C C 174.09 . 1 79 . 9 SER CA C 60.44 . 1 80 . 9 SER HA H 3.82 . 1 81 . 9 SER CB C 64.13 . 1 82 . 9 SER HB2 H 3.62 . 2 83 . 10 ASN N N 121.25 . 1 84 . 10 ASN H H 7.70 . 1 85 . 10 ASN C C 174.33 . 1 86 . 10 ASN CA C 52.38 . 1 87 . 10 ASN HA H 4.47 . 1 88 . 10 ASN CB C 38.19 . 1 89 . 10 ASN HB2 H 3.20 . 2 90 . 10 ASN HB3 H 1.84 . 2 91 . 10 ASN HD21 H 6.91 . 2 92 . 10 ASN HD22 H 7.45 . 2 93 . 10 ASN ND2 N 112.70 . 1 94 . 11 GLY N N 107.80 . 1 95 . 11 GLY H H 7.89 . 1 96 . 11 GLY C C 174.66 . 1 97 . 11 GLY CA C 45.02 . 1 98 . 11 GLY HA2 H 4.17 . 2 99 . 11 GLY HA3 H 3.52 . 2 100 . 12 GLY N N 108.27 . 1 101 . 12 GLY H H 6.96 . 1 102 . 12 GLY C C 172.96 . 1 103 . 12 GLY CA C 46.87 . 1 104 . 12 GLY HA2 H 3.48 . 2 105 . 12 GLY HA3 H 3.12 . 2 106 . 13 TYR N N 112.81 . 1 107 . 13 TYR H H 5.90 . 1 108 . 13 TYR C C 173.87 . 1 109 . 13 TYR CA C 57.98 . 1 110 . 13 TYR HA H 3.82 . 1 111 . 13 TYR CB C 32.96 . 1 112 . 13 TYR HB2 H 2.65 . 2 113 . 13 TYR HB3 H 2.18 . 2 114 . 13 TYR HD1 H 6.75 . 3 115 . 13 TYR HE1 H 6.65 . 3 116 . 14 PHE N N 120.32 . 1 117 . 14 PHE H H 9.51 . 1 118 . 14 PHE C C 176.52 . 1 119 . 14 PHE CA C 56.39 . 1 120 . 14 PHE HA H 5.52 . 1 121 . 14 PHE CB C 40.44 . 1 122 . 14 PHE HB2 H 3.47 . 2 123 . 14 PHE HB3 H 2.97 . 2 124 . 14 PHE HD1 H 7.32 . 3 125 . 14 PHE HE1 H 6.38 . 3 126 . 14 PHE CD1 C 132.50 . 3 127 . 14 PHE CE1 C 131.10 . 3 128 . 14 PHE CZ C 128.90 . 1 129 . 15 LEU N N 123.88 . 1 130 . 15 LEU H H 8.21 . 1 131 . 15 LEU C C 173.93 . 1 132 . 15 LEU CA C 57.16 . 1 133 . 15 LEU HA H 4.21 . 1 134 . 15 LEU CB C 43.45 . 1 135 . 15 LEU HB2 H 1.88 . 2 136 . 15 LEU HB3 H 1.31 . 2 137 . 15 LEU HG H 1.52 . 1 138 . 15 LEU HD1 H 0.64 . 2 139 . 15 LEU HD2 H 0.58 . 2 140 . 15 LEU CG C 27.60 . 1 141 . 15 LEU CD1 C 26.27 . 1 142 . 15 LEU CD2 C 24.52 . 1 143 . 16 ARG N N 127.83 . 1 144 . 16 ARG H H 9.42 . 1 145 . 16 ARG C C 173.28 . 1 146 . 16 ARG CA C 55.52 . 1 147 . 16 ARG HA H 4.65 . 1 148 . 16 ARG CB C 34.12 . 1 149 . 16 ARG HB2 H 2.52 . 2 150 . 16 ARG HG2 H 1.38 . 2 151 . 16 ARG HG3 H 1.32 . 2 152 . 16 ARG HD2 H 3.35 . 2 153 . 16 ARG CG C 25.07 . 1 154 . 16 ARG CD C 45.24 . 1 155 . 17 ILE N N 121.50 . 1 156 . 17 ILE H H 6.91 . 1 157 . 17 ILE C C 175.53 . 1 158 . 17 ILE CA C 60.29 . 1 159 . 17 ILE HA H 4.50 . 1 160 . 17 ILE CB C 39.75 . 1 161 . 17 ILE HB H 1.68 . 1 162 . 17 ILE HG12 H 1.50 . 2 163 . 17 ILE HG13 H 0.80 . 2 164 . 17 ILE HG2 H 0.63 . 1 165 . 17 ILE CG1 C 26.62 . 1 166 . 17 ILE CD1 C 13.87 . 1 167 . 17 ILE CG2 C 17.80 . . 168 . 18 PHE N N 126.39 . 1 169 . 18 PHE H H 9.12 . 1 170 . 18 PHE CA C 57.16 . 1 171 . 18 PHE HA H 4.15 . 1 172 . 18 PHE HB2 H 3.05 . 2 173 . 18 PHE HD1 H 6.95 . 2 174 . 18 PHE CB C 40.15 . 1 175 . 19 PRO C C 176.12 . 1 176 . 19 PRO CA C 65.05 . 1 177 . 19 PRO HA H 4.18 . 1 178 . 19 PRO CB C 34.89 . 1 179 . 19 PRO HB2 H 2.36 . 2 180 . 19 PRO HB3 H 2.01 . 2 181 . 19 PRO HG2 H 1.93 . 2 182 . 19 PRO HG3 H 1.80 . 2 183 . 19 PRO HD2 H 3.52 . 2 184 . 19 PRO HD3 H 2.50 . 2 185 . 20 ASP N N 113.50 . 9 186 . 20 ASP H H 7.65 . 9 187 . 20 ASP C C 177.07 . 1 188 . 20 ASP CA C 53.93 . 1 189 . 20 ASP HA H 4.43 . 1 190 . 20 ASP CB C 39.10 . 1 191 . 20 ASP HB2 H 2.96 . 2 192 . 21 GLY N N 107.98 . 1 193 . 21 GLY H H 8.24 . 1 194 . 21 GLY CA C 45.79 . . 195 . 21 GLY HA2 H 4.51 . 2 196 . 21 GLY HA3 H 3.75 . 2 197 . 21 GLY C C 174.09 . 1 198 . 22 LYS N N 120.78 . 1 199 . 22 LYS H H 7.52 . 1 200 . 22 LYS C C 173.09 . 1 201 . 22 LYS CA C 57.06 . 1 202 . 22 LYS HA H 4.35 . 1 203 . 22 LYS CB C 33.27 . 1 204 . 22 LYS HB2 H 1.82 . 2 205 . 22 LYS HB3 H 1.32 . 2 206 . 22 LYS HG2 H 1.48 . 2 207 . 22 LYS HD2 H 1.60 . 2 208 . 22 LYS HE2 H 3.24 . 2 209 . 22 LYS CG C 25.26 . 1 210 . 22 LYS CD C 28.86 . 1 211 . 22 LYS CE C 42.16 . 1 212 . 23 VAL N N 122.38 . 1 213 . 23 VAL H H 8.28 . 1 214 . 23 VAL C C 174.34 . 1 215 . 23 VAL CA C 60.49 . 1 216 . 23 VAL HA H 5.09 . 1 217 . 23 VAL CB C 34.86 . 1 218 . 23 VAL HB H 1.77 . 1 219 . 23 VAL HG1 H 0.88 . 2 220 . 23 VAL HG2 H 0.82 . 2 221 . 23 VAL CG1 C 21.25 . 1 222 . 23 VAL CG2 C 21.25 . 1 223 . 24 ASP N N 129.20 . 1 224 . 24 ASP H H 9.15 . 1 225 . 24 ASP C C 172.36 . 1 226 . 24 ASP CA C 53.83 . 1 227 . 24 ASP HA H 4.24 . 1 228 . 24 ASP CB C 40.48 . 1 229 . 24 ASP HB2 H 3.18 . 2 230 . 24 ASP HB3 H 2.97 . 2 231 . 25 GLY N N 101.58 . 1 232 . 25 GLY H H 8.26 . 1 233 . 25 GLY CA C 44.01 . 1 234 . 25 GLY HA2 H 5.57 . 2 235 . 25 GLY HA3 H 2.90 . 2 236 . 25 GLY C C 171.87 . 1 237 . 26 THR N N 112.04 . 1 238 . 26 THR H H 8.81 . 1 239 . 26 THR C C 173.00 . 1 240 . 26 THR CA C 59.62 . 1 241 . 26 THR HA H 5.00 . 1 242 . 26 THR CB C 70.04 . 1 243 . 26 THR HB H 4.11 . 1 244 . 26 THR HG2 H 1.28 . 1 245 . 26 THR CG2 C 21.33 . 1 246 . 27 ARG N N 127.64 . 1 247 . 27 ARG H H 9.18 . 1 248 . 27 ARG C C 174.41 . 1 249 . 27 ARG CA C 57.46 . 1 250 . 27 ARG HA H 4.65 . 1 251 . 27 ARG CB C 29.34 . 1 252 . 27 ARG HB2 H 2.10 . 2 253 . 27 ARG HB3 H 1.67 . 2 254 . 27 ARG HG2 H 1.42 . 2 255 . 27 ARG HG3 H 1.10 . 2 256 . 27 ARG HD2 H 2.98 . 2 257 . 27 ARG CG C 28.40 . 1 258 . 27 ARG CD C 43.52 . 1 259 . 28 ASP N N 120.96 . 1 260 . 28 ASP H H 8.43 . 1 261 . 28 ASP C C 175.10 . 1 262 . 28 ASP CA C 53.88 . 1 263 . 28 ASP HA H 4.55 . 1 264 . 28 ASP CB C 40.26 . 1 265 . 28 ASP HB2 H 3.25 . 2 266 . 28 ASP HB3 H 2.68 . 2 267 . 29 ARG N N 126.44 . 1 268 . 29 ARG H H 8.32 . 1 269 . 29 ARG C C 175.94 . 1 270 . 29 ARG CA C 57.11 . 1 271 . 29 ARG HA H 3.47 . 1 272 . 29 ARG CB C 30.92 . 1 273 . 29 ARG HB2 H 1.76 . 2 274 . 29 ARG HB3 H 1.70 . 2 275 . 29 ARG HG2 H 1.31 . 2 276 . 29 ARG HD2 H 3.11 . 2 277 . 29 ARG CG C 28.20 . 1 278 . 29 ARG CD C 43.73 . 1 279 . 30 SER N N 113.91 . 1 280 . 30 SER H H 8.44 . 1 281 . 30 SER C C 173.71 . 1 282 . 30 SER CA C 58.39 . 1 283 . 30 SER HA H 4.27 . 1 284 . 30 SER CB C 63.80 . 1 285 . 30 SER HB2 H 4.01 . 2 286 . 30 SER HB3 H 3.86 . 2 287 . 31 ASP N N 126.57 . 1 288 . 31 ASP H H 7.14 . 1 289 . 31 ASP CA C 52.86 . 1 290 . 31 ASP HA H 4.42 . 1 291 . 31 ASP HB2 H 2.85 . 2 292 . 31 ASP CB C 43.21 . 1 293 . 32 PRO C C 178.79 . 1 294 . 32 PRO CA C 64.93 . 1 295 . 32 PRO HA H 4.07 . 1 296 . 32 PRO CB C 32.07 . 1 297 . 32 PRO HB2 H 2.10 . 2 298 . 32 PRO HB3 H 2.02 . 2 299 . 32 PRO HG2 H 1.33 . 2 300 . 32 PRO HG3 H 1.09 . 2 301 . 32 PRO HD2 H 3.81 . 2 302 . 32 PRO HD3 H 3.57 . 2 303 . 32 PRO CG C 26.72 . 1 304 . 32 PRO CD C 50.76 . 1 305 . 33 TYR N N 117.10 . 1 306 . 33 TYR H H 9.50 . 1 307 . 33 TYR C C 176.33 . 1 308 . 33 TYR CA C 59.42 . 1 309 . 33 TYR HA H 4.56 . 1 310 . 33 TYR CB C 36.01 . 1 311 . 33 TYR HB2 H 3.52 . 2 312 . 33 TYR HB3 H 2.68 . 2 313 . 34 ILE N N 110.63 . 1 314 . 34 ILE H H 7.04 . 1 315 . 34 ILE C C 177.26 . 1 316 . 34 ILE CA C 60.85 . 1 317 . 34 ILE HA H 5.24 . 1 318 . 34 ILE CB C 37.94 . 1 319 . 34 ILE HB H 2.51 . 1 320 . 34 ILE HG12 H 1.82 . 2 321 . 34 ILE HG2 H 0.85 . 1 322 . 34 ILE HD1 H 0.61 . 1 323 . 34 ILE CG1 C 23.56 . 1 324 . 34 ILE CG2 C 17.72 . 1 325 . 34 ILE CD1 C 16.20 . 1 326 . 35 GLN N N 117.93 . 1 327 . 35 GLN H H 6.65 . 1 328 . 35 GLN C C 175.40 . 1 329 . 35 GLN CA C 57.72 . 1 330 . 35 GLN HA H 4.17 . 1 331 . 35 GLN CB C 26.94 . 1 332 . 35 GLN HB2 H 2.20 . 2 333 . 35 GLN HG2 H 2.35 . 2 334 . 35 GLN HG3 H 2.41 . 2 335 . 35 GLN CG C 34.49 . 1 336 . 35 GLN HE21 H 7.63 . 2 337 . 35 GLN HE22 H 6.53 . 2 338 . 35 GLN NE2 N 108.87 . 1 339 . 36 LEU N N 127.83 . 1 340 . 36 LEU H H 9.42 . 1 341 . 36 LEU C C 175.19 . 1 342 . 36 LEU CA C 53.50 . 1 343 . 36 LEU HA H 5.30 . 1 344 . 36 LEU CB C 45.02 . 1 345 . 36 LEU HB2 H 1.58 . 2 346 . 36 LEU HB3 H 1.07 . 2 347 . 36 LEU HD1 H 0.75 . 2 348 . 36 LEU HD2 H 0.58 . 2 349 . 36 LEU CG C 27.02 . 1 350 . 36 LEU CD1 C 25.94 . 1 351 . 36 LEU CD2 C 21.77 . 1 352 . 37 GLN N N 118.35 . 1 353 . 37 GLN H H 9.33 . 1 354 . 37 GLN C C 175.65 . 1 355 . 37 GLN CA C 54.30 . 1 356 . 37 GLN HA H 4.65 . 1 357 . 37 GLN CB C 32.94 . 1 358 . 37 GLN HB2 H 1.92 . 2 359 . 37 GLN HB3 H 1.88 . 2 360 . 37 GLN HG2 H 2.24 . 2 361 . 37 GLN HG3 H 2.01 . 2 362 . 37 GLN CG C 35.19 . 1 363 . 37 GLN HE21 H 7.37 . 2 364 . 37 GLN HE22 H 6.73 . 2 365 . 37 GLN NE2 N 111.52 . 1 366 . 38 PHE N N 123.12 . 1 367 . 38 PHE H H 8.71 . 1 368 . 38 PHE C C 176.00 . 1 369 . 38 PHE CA C 56.24 . 1 370 . 38 PHE HA H 5.38 . 2 371 . 38 PHE CB C 40.77 . 2 372 . 38 PHE HB2 H 2.94 . 2 373 . 38 PHE HB3 H 2.77 . 2 374 . 38 PHE HD1 H 7.18 . 3 375 . 39 TYR N N 121.79 . 1 376 . 39 TYR H H 9.09 . 1 377 . 39 TYR C C 174.54 . 1 378 . 39 TYR CA C 57.26 . 1 379 . 39 TYR HA H 4.70 . 1 380 . 39 TYR CB C 41.27 . 1 381 . 39 TYR HB2 H 3.17 . 2 382 . 39 TYR HB3 H 2.93 . 2 383 . 39 TYR HD1 H 7.14 . 3 384 . 40 ALA N N 126.69 . 1 385 . 40 ALA H H 8.79 . 1 386 . 40 ALA C C 177.60 . 1 387 . 40 ALA CA C 51.78 . 1 388 . 40 ALA HA H 5.08 . 1 389 . 40 ALA CB C 19.69 . 1 390 . 40 ALA HB H 1.42 . 1 391 . 41 GLU N N 126.11 . 1 392 . 41 GLU H H 8.52 . 1 393 . 41 GLU C C 176.14 . 1 394 . 41 GLU CA C 57.21 . 1 395 . 41 GLU HA H 4.44 . 1 396 . 41 GLU CB C 31.27 . 1 397 . 41 GLU HB2 H 1.94 . 2 398 . 41 GLU HB3 H 1.85 . 2 399 . 41 GLU HG2 H 2.21 . 2 400 . 41 GLU HG3 H 2.16 . 2 401 . 41 GLU CG C 36.27 . 1 402 . 42 SER N N 114.35 . 1 403 . 42 SER H H 8.19 . 1 404 . 42 SER C C 173.06 . 1 405 . 42 SER CA C 57.21 . 1 406 . 42 SER HA H 4.48 . 1 407 . 42 SER CB C 64.05 . 1 408 . 42 SER HB2 H 3.74 . 2 409 . 42 SER HB3 H 3.62 . 2 410 . 43 VAL N N 121.22 . 1 411 . 43 VAL H H 8.21 . 1 412 . 43 VAL C C 178.01 . 1 413 . 43 VAL CA C 65.36 . 1 414 . 43 VAL HA H 3.75 . 1 415 . 43 VAL CB C 31.39 . 1 416 . 43 VAL HB H 1.94 . 1 417 . 43 VAL HG1 H 0.99 . 2 418 . 43 VAL HG2 H 0.90 . 2 419 . 43 VAL CG1 C 21.25 . 1 420 . 43 VAL CG2 C 20.73 . 1 421 . 44 GLY N N 115.86 . 1 422 . 44 GLY H H 8.88 . 1 423 . 44 GLY C C 173.08 . 1 424 . 44 GLY CA C 45.94 . 1 425 . 44 GLY HA2 H 4.20 . 2 426 . 44 GLY HA3 H 3.89 . 2 427 . 45 GLU N N 121.35 . 1 428 . 45 GLU H H 8.11 . 1 429 . 45 GLU C C 176.02 . 1 430 . 45 GLU CA C 55.11 . 1 431 . 45 GLU HA H 5.31 . 1 432 . 45 GLU CB C 32.40 . 1 433 . 45 GLU HB2 H 1.85 . 2 434 . 45 GLU HB3 H 1.72 . 2 435 . 45 GLU HG2 H 2.00 . 2 436 . 45 GLU HG3 H 1.90 . 2 437 . 45 GLU CG C 35.96 . 1 438 . 46 VAL N N 116.83 . 1 439 . 46 VAL H H 9.59 . 1 440 . 46 VAL C C 178.82 . 1 441 . 46 VAL CA C 59.42 . 1 442 . 46 VAL HA H 5.46 . 1 443 . 46 VAL CB C 36.16 . 1 444 . 46 VAL HB H 2.25 . 1 445 . 46 VAL HG1 H 0.98 . 2 446 . 46 VAL HG2 H 0.93 . 2 447 . 46 VAL CG1 C 21.85 . 1 448 . 46 VAL CG2 C 19.61 . 1 449 . 47 TYR N N 118.39 . 1 450 . 47 TYR H H 8.94 . 1 451 . 47 TYR C C 175.54 . 1 452 . 47 TYR CA C 57.11 . 1 453 . 47 TYR HA H 5.17 . 1 454 . 47 TYR CB C 41.54 . 1 455 . 47 TYR HB2 H 3.24 . 2 456 . 47 TYR HB3 H 2.98 . 2 457 . 47 TYR HD1 H 7.18 . 3 458 . 47 TYR HE1 H 6.80 . 3 459 . 47 TYR CD1 C 133.30 . 3 460 . 47 TYR CE1 C 117.50 . 3 461 . 48 ILE N N 124.29 . 1 462 . 48 ILE H H 10.91 . 1 463 . 48 ILE C C 174.17 . 1 464 . 48 ILE CA C 61.92 . 1 465 . 48 ILE HA H 4.10 . 1 466 . 48 ILE CB C 39.71 . 1 467 . 48 ILE HB H 1.62 . 1 468 . 48 ILE HG12 H 1.32 . 2 469 . 48 ILE HG2 H 0.28 . 1 470 . 48 ILE HD1 H 0.18 . 1 471 . 48 ILE CG1 C 26.41 . 1 472 . 48 ILE CG2 C 17.89 . 1 473 . 48 ILE CD1 C 13.93 . 1 474 . 49 LYS N N 126.94 . 1 475 . 49 LYS H H 9.02 . 1 476 . 49 LYS C C 175.82 . 1 477 . 49 LYS CA C 53.68 . 1 478 . 49 LYS HA H 4.74 . 1 479 . 49 LYS CB C 38.36 . 1 480 . 49 LYS HB2 H 1.51 . 2 481 . 49 LYS HG2 H 0.89 . 2 482 . 49 LYS HG3 H 0.52 . 2 483 . 49 LYS HD2 H 1.40 . 2 484 . 49 LYS CG C 24.29 . 1 485 . 49 LYS CD C 29.69 . 1 486 . 49 LYS CE C 42.38 . 1 487 . 50 SER N N 117.79 . 1 488 . 50 SER H H 8.90 . 1 489 . 50 SER C C 175.86 . 1 490 . 50 SER CA C 57.11 . 1 491 . 50 SER HA H 4.50 . 1 492 . 50 SER CB C 63.44 . 1 493 . 50 SER HB2 H 3.78 . 2 494 . 51 LEU N N 132.76 . 1 495 . 51 LEU H H 8.27 . 1 496 . 51 LEU C C 178.00 . 1 497 . 51 LEU CA C 58.70 . 1 498 . 51 LEU HA H 3.99 . 1 499 . 51 LEU CB C 43.17 . 1 500 . 51 LEU HB2 H 1.66 . 2 501 . 51 LEU HB3 H 1.15 . 2 502 . 51 LEU HG H 1.40 . 1 503 . 51 LEU HD1 H 1.12 . 2 504 . 51 LEU HD2 H 0.77 . 2 505 . 51 LEU CG C 27.24 . 1 506 . 51 LEU CD1 C 25.69 . 1 507 . 51 LEU CD2 C 24.60 . 1 508 . 52 GLU N N 116.46 . 1 509 . 52 GLU H H 8.95 . 1 510 . 52 GLU C C 178.04 . 1 511 . 52 GLU CA C 58.70 . 1 512 . 52 GLU HA H 4.18 . 1 513 . 52 GLU CB C 30.69 . 1 514 . 52 GLU HB2 H 2.22 . 2 515 . 52 GLU HB3 H 2.18 . 2 516 . 52 GLU HG2 H 1.94 . 2 517 . 52 GLU CG C 35.83 . 1 518 . 53 THR N N 103.28 . 1 519 . 53 THR H H 7.98 . 1 520 . 53 THR C C 175.42 . 1 521 . 53 THR CA C 61.36 . 1 522 . 53 THR HA H 4.71 . 1 523 . 53 THR CB C 71.55 . 1 524 . 53 THR HB H 4.42 . . 525 . 53 THR HG2 H 1.18 . 1 526 . 53 THR CG2 C 21.33 . 1 527 . 53 THR HG1 H 5.84 . 1 528 . 54 GLY N N 111.03 . 1 529 . 54 GLY H H 7.80 . 1 530 . 54 GLY C C 172.42 . 1 531 . 54 GLY CA C 46.10 . 1 532 . 54 GLY HA2 H 4.05 . 2 533 . 54 GLY HA3 H 3.52 . 2 534 . 55 GLN N N 115.50 . 1 535 . 55 GLN H H 7.18 . 1 536 . 55 GLN C C 175.21 . 1 537 . 55 GLN CA C 55.78 . 1 538 . 55 GLN HA H 4.32 . 1 539 . 55 GLN CB C 34.05 . 1 540 . 55 GLN HB2 H 1.85 . 2 541 . 55 GLN HB3 H 1.77 . 2 542 . 55 GLN HG2 H 2.20 . 2 543 . 55 GLN CG C 36.02 . 1 544 . 55 GLN HE21 H 7.52 . 2 545 . 55 GLN HE22 H 6.84 . 2 546 . 55 GLN NE2 N 112.04 . 1 547 . 56 TYR N N 118.35 . 1 548 . 56 TYR H H 9.33 . 1 549 . 56 TYR C C 176.08 . 1 550 . 56 TYR CA C 57.11 . 1 551 . 56 TYR HA H 4.86 . 1 552 . 56 TYR CB C 41.35 . 1 553 . 56 TYR HB2 H 3.07 . 2 554 . 56 TYR HB3 H 2.72 . 2 555 . 56 TYR HD1 H 7.10 . 3 556 . 56 TYR HE1 H 6.50 . 3 557 . 56 TYR CD1 C 132.80 . 3 558 . 56 TYR CE1 C 117.50 . 3 559 . 57 LEU N N 123.59 . 1 560 . 57 LEU H H 8.91 . 1 561 . 57 LEU C C 174.55 . 1 562 . 57 LEU CA C 55.68 . 1 563 . 57 LEU HA H 4.10 . 1 564 . 57 LEU CB C 41.78 . 1 565 . 57 LEU HB2 H 1.84 . 2 566 . 57 LEU HB3 H 0.94 . 2 567 . 57 LEU HG H 1.63 . 1 568 . 57 LEU HD1 H 0.16 . 2 569 . 57 LEU HD2 H 0.85 . 2 570 . 57 LEU CG C 26.23 . 1 571 . 57 LEU CD1 C 24.51 . 1 572 . 57 LEU CD2 C 23.20 . 1 573 . 58 ALA N N 126.61 . 1 574 . 58 ALA H H 8.73 . 1 575 . 58 ALA C C 174.69 . 1 576 . 58 ALA CA C 51.17 . 1 577 . 58 ALA HA H 4.96 . 1 578 . 58 ALA CB C 23.59 . 1 579 . 58 ALA HB H 0.50 . 1 580 . 59 MET N N 117.07 . 1 581 . 59 MET H H 7.60 . 1 582 . 59 MET C C 175.55 . 1 583 . 59 MET CA C 55.47 . 1 584 . 59 MET HA H 5.27 . 1 585 . 59 MET CB C 37.29 . 1 586 . 59 MET HB2 H 2.27 . 2 587 . 59 MET HB3 H 2.09 . 2 588 . 59 MET HG2 H 2.95 . 2 589 . 59 MET HG3 H 2.18 . 2 590 . 59 MET HE H 1.99 . 1 591 . 59 MET CG C 31.52 . 1 592 . 60 ASP N N 126.96 . 1 593 . 60 ASP H H 9.02 . 1 594 . 60 ASP C C 176.75 . 1 595 . 60 ASP CA C 53.58 . 1 596 . 60 ASP HA H 4.92 . 1 597 . 60 ASP CB C 41.05 . 1 598 . 60 ASP HB2 H 3.37 . 2 599 . 60 ASP HB3 H 2.73 . 2 600 . 61 SER N N 111.74 . 1 601 . 61 SER H H 8.60 . 1 602 . 61 SER C C 174.42 . 1 603 . 61 SER CA C 57.52 . 1 604 . 61 SER HA H 3.82 . 1 605 . 61 SER CB C 66.07 . 1 606 . 61 SER HB2 H 3.62 . 2 607 . 62 ASP N N 119.85 . 1 608 . 62 ASP H H 8.39 . 1 609 . 62 ASP C C 174.39 . 1 610 . 62 ASP CA C 54.34 . 1 611 . 62 ASP HA H 4.92 . 1 612 . 62 ASP CB C 42.47 . 1 613 . 62 ASP HB2 H 2.76 . 2 614 . 62 ASP HB3 H 2.61 . 2 615 . 63 GLY N N 111.56 . 1 616 . 63 GLY H H 8.39 . 1 617 . 63 GLY C C 174.71 . 1 618 . 63 GLY CA C 45.74 . 1 619 . 63 GLY HA2 H 3.52 . 2 620 . 63 GLY HA3 H 3.10 . 2 621 . 64 GLN N N 121.77 . 1 622 . 64 GLN H H 8.70 . 1 623 . 64 GLN C C 177.71 . 1 624 . 64 GLN CA C 54.91 . 1 625 . 64 GLN HA H 4.52 . 1 626 . 64 GLN CB C 30.36 . 1 627 . 64 GLN HB2 H 1.66 . 2 628 . 64 GLN HB3 H 1.46 . 2 629 . 64 GLN HG2 H 2.34 . 2 630 . 64 GLN HG3 H 2.14 . 2 631 . 64 GLN CG C 34.08 . 1 632 . 64 GLN HE21 H 7.61 . 2 633 . 64 GLN HE22 H 7.06 . 2 634 . 64 GLN NE2 N 112.93 . 1 635 . 65 LEU N N 124.58 . 1 636 . 65 LEU H H 8.63 . 1 637 . 65 LEU C C 177.35 . 1 638 . 65 LEU CA C 54.55 . 1 639 . 65 LEU HA H 5.49 . 1 640 . 65 LEU CB C 42.99 . 1 641 . 65 LEU HB2 H 1.79 . 2 642 . 65 LEU HB3 H 1.35 . 2 643 . 65 LEU HG H 2.08 . 1 644 . 65 LEU HD1 H 1.05 . 2 645 . 65 LEU HD2 H 0.95 . 2 646 . 65 LEU CG C 27.09 . 1 647 . 65 LEU CD1 C 24.32 . 1 648 . 66 TYR N N 122.52 . 1 649 . 66 TYR H H 9.40 . 1 650 . 66 TYR C C 178.45 . 1 651 . 66 TYR CA C 56.19 . 1 652 . 66 TYR HA H 4.82 . 1 653 . 66 TYR CB C 40.33 . 1 654 . 66 TYR HB2 H 3.06 . 2 655 . 66 TYR HD1 H 7.08 . 3 656 . 66 TYR HE1 H 6.35 . 3 657 . 66 TYR CD1 C 134.10 . 3 658 . 66 TYR CE1 C 117.50 . 3 659 . 67 ALA N N 120.78 . 1 660 . 67 ALA H H 8.17 . 1 661 . 67 ALA C C 178.88 . 1 662 . 67 ALA CA C 49.73 . 1 663 . 67 ALA HA H 5.13 . 1 664 . 67 ALA CB C 22.24 . 1 665 . 67 ALA HB H 0.98 . 1 666 . 68 SER N N 117.10 . 1 667 . 68 SER H H 9.50 . 1 668 . 68 SER C C 177.77 . 1 669 . 68 SER CA C 55.73 . 1 670 . 68 SER HA H 4.88 . 1 671 . 68 SER CB C 65.67 . 1 672 . 68 SER HB2 H 3.70 . 2 673 . 68 SER HB3 H 3.60 . 2 674 . 69 GLN N N 126.43 . 1 675 . 69 GLN H H 9.29 . 1 676 . 69 GLN C C 175.40 . 1 677 . 69 GLN CA C 58.65 . 1 678 . 69 GLN HA H 4.22 . 1 679 . 69 GLN CB C 29.66 . 1 680 . 69 GLN HB2 H 2.20 . 2 681 . 69 GLN HB3 H 2.10 . 2 682 . 69 GLN HG2 H 2.48 . 2 683 . 69 GLN HG3 H 2.46 . 2 684 . 69 GLN CG C 34.08 . 1 685 . 70 SER N N 111.38 . 1 686 . 70 SER H H 7.85 . 1 687 . 70 SER CA C 55.42 . 1 688 . 70 SER HA H 4.91 . 1 689 . 70 SER HB2 H 3.44 . 2 690 . 70 SER HB3 H 3.13 . 2 691 . 70 SER CB C 62.58 . 1 692 . 71 PRO C C 171.99 . 1 693 . 71 PRO CA C 62.80 . 1 694 . 71 PRO HA H 4.60 . 1 695 . 71 PRO CB C 28.98 . 1 696 . 71 PRO HB2 H 1.94 . 2 697 . 71 PRO HB3 H 1.87 . 2 698 . 71 PRO HG2 H 2.22 . 2 699 . 71 PRO HD2 H 3.74 . 2 700 . 71 PRO HD3 H 3.58 . 2 701 . 71 PRO CG C 26.60 . 1 702 . 71 PRO CD C 49.94 . 1 703 . 72 SER N N 117.88 . 1 704 . 72 SER H H 7.56 . 1 705 . 72 SER C C 175.36 . 1 706 . 72 SER CA C 57.32 . 1 707 . 72 SER HA H 3.88 . 1 708 . 72 SER CB C 66.83 . 1 709 . 72 SER HB2 H 3.77 . 2 710 . 73 GLU N N 120.30 . 1 711 . 73 GLU H H 9.25 . 1 712 . 73 GLU C C 176.42 . 1 713 . 73 GLU CA C 60.03 . 1 714 . 73 GLU HA H 4.25 . 1 715 . 73 GLU CB C 29.46 . 1 716 . 73 GLU HB2 H 2.12 . 2 717 . 73 GLU HB3 H 1.98 . 2 718 . 73 GLU CG C 36.27 . 1 719 . 74 GLU N N 117.37 . 1 720 . 74 GLU H H 8.34 . 1 721 . 74 GLU C C 176.58 . 1 722 . 74 GLU CA C 59.52 . 1 723 . 74 GLU HA H 4.10 . 1 724 . 74 GLU CB C 34.10 . 1 725 . 74 GLU HB2 H 1.90 . 2 726 . 74 GLU HG2 H 2.32 . 2 727 . 74 GLU CG C 37.99 . 1 728 . 75 CYS N N 114.73 . 1 729 . 75 CYS H H 7.84 . 1 730 . 75 CYS C C 177.26 . 1 731 . 75 CYS CA C 57.57 . 1 732 . 75 CYS HA H 5.13 . 1 733 . 75 CYS CB C 28.02 . 1 734 . 75 CYS HB2 H 3.80 . 2 735 . 75 CYS HB3 H 3.23 . 2 736 . 76 LEU N N 118.55 . 1 737 . 76 LEU H H 6.85 . 1 738 . 76 LEU C C 176.11 . 1 739 . 76 LEU CA C 54.39 . 1 740 . 76 LEU HA H 4.39 . 1 741 . 76 LEU CB C 44.44 . 1 742 . 76 LEU HB2 H 1.41 . 2 743 . 76 LEU HB3 H 0.97 . 2 744 . 76 LEU HG H 1.03 . 1 745 . 76 LEU HD1 H 0.52 . 2 746 . 76 LEU HD2 H 0.18 . 2 747 . 76 LEU CG C 27.27 . 1 748 . 76 LEU CD1 C 25.26 . 1 749 . 76 LEU CD2 C 23.97 . 1 750 . 77 PHE N N 122.45 . 1 751 . 77 PHE H H 9.23 . 1 752 . 77 PHE C C 174.01 . 1 753 . 77 PHE CA C 57.21 . 1 754 . 77 PHE HA H 5.01 . 1 755 . 77 PHE CB C 43.06 . 1 756 . 77 PHE HB2 H 2.79 . 1 757 . 77 PHE HB3 H 2.75 . 2 758 . 77 PHE HD1 H 7.05 . 3 759 . 77 PHE HE1 H 7.15 . 3 760 . 77 PHE HZ H 6.80 . 1 761 . 77 PHE CD1 C 133.30 . 3 762 . 77 PHE CE1 C 117.50 . 3 763 . 77 PHE CZ C 128.20 . 1 764 . 78 LEU N N 121.93 . 1 765 . 78 LEU H H 10.06 . 1 766 . 78 LEU C C 173.72 . 1 767 . 78 LEU CA C 53.32 . 1 768 . 78 LEU HA H 5.09 . 1 769 . 78 LEU CB C 41.84 . 1 770 . 78 LEU HB2 H 1.82 . 2 771 . 78 LEU HB3 H 1.38 . 2 772 . 78 LEU HG H 1.42 . 1 773 . 78 LEU HD1 H 0.80 . 2 774 . 78 LEU CG C 27.08 . 1 775 . 78 LEU CD1 C 25.26 . 1 776 . 78 LEU CD2 C 23.48 . 1 777 . 79 GLU N N 128.55 . 1 778 . 79 GLU H H 8.48 . 1 779 . 79 GLU C C 175.41 . 1 780 . 79 GLU CA C 54.96 . 1 781 . 79 GLU HA H 4.74 . 1 782 . 79 GLU CB C 33.65 . 1 783 . 79 GLU HB2 H 2.21 . 2 784 . 79 GLU HB3 H 2.01 . 2 785 . 79 GLU HG2 H 2.40 . 2 786 . 79 GLU CG C 37.34 . 1 787 . 80 ARG N N 130.06 . 1 788 . 80 ARG H H 8.68 . 1 789 . 80 ARG C C 173.73 . 1 790 . 80 ARG CA C 53.92 . 1 791 . 80 ARG HA H 4.78 . 1 792 . 80 ARG CB C 33.97 . 1 793 . 80 ARG HB2 H 1.92 . 2 794 . 80 ARG HB3 H 1.87 . 2 795 . 80 ARG HG2 H 1.62 . 2 796 . 80 ARG HD2 H 3.18 . 2 797 . 80 ARG CG C 27.21 . 1 798 . 80 ARG CD C 41.76 . 1 799 . 81 LEU N N 127.65 . 1 800 . 81 LEU H H 8.35 . 1 801 . 81 LEU C C 175.83 . 1 802 . 81 LEU CA C 55.35 . 1 803 . 81 LEU HA H 4.74 . 1 804 . 81 LEU CB C 42.19 . 1 805 . 81 LEU HB2 H 1.93 . 2 806 . 81 LEU HB3 H 1.70 . 2 807 . 81 LEU HG H 1.57 . 1 808 . 81 LEU HD1 H 0.89 . 2 809 . 81 LEU CG C 27.11 . 1 810 . 81 LEU CD1 C 25.88 . 1 811 . 81 LEU CD2 C 23.62 . 1 812 . 82 GLU N N 126.98 . 1 813 . 82 GLU H H 9.34 . 1 814 . 82 GLU C C 177.84 . 1 815 . 82 GLU CA C 54.80 . 1 816 . 82 GLU HA H 4.74 . 1 817 . 82 GLU CB C 33.20 . 1 818 . 82 GLU HB2 H 2.21 . 2 819 . 82 GLU HB3 H 2.01 . 2 820 . 82 GLU HG2 H 2.40 . 2 821 . 83 GLU N N 119.71 . 1 822 . 83 GLU H H 8.89 . 1 823 . 83 GLU C C 177.02 . 1 824 . 83 GLU CA C 58.30 . 1 825 . 83 GLU HA H 4.08 . 1 826 . 83 GLU CB C 44.18 . 1 827 . 83 GLU HB2 H 2.02 . 2 828 . 83 GLU HG2 H 2.35 . 2 829 . 84 ASN C C 174.32 . 1 830 . 84 ASN CA C 53.47 . 1 831 . 84 ASN HA H 4.23 . 1 832 . 84 ASN CB C 38.07 . 1 833 . 84 ASN HB2 H 3.08 . 2 834 . 84 ASN HB3 H 2.86 . 2 835 . 85 ASN N N 109.60 . 1 836 . 85 ASN H H 8.32 . 1 837 . 85 ASN C C 171.99 . 1 838 . 85 ASN CA C 55.78 . 1 839 . 85 ASN HA H 4.17 . 1 840 . 85 ASN CB C 37.30 . 1 841 . 85 ASN HB2 H 2.86 . 2 842 . 85 ASN HB3 H 2.52 . 2 843 . 85 ASN HD21 H 7.45 . 2 844 . 85 ASN HD22 H 6.90 . 2 845 . 85 ASN ND2 N 113.31 . 1 846 . 86 TYR N N 117.22 . 1 847 . 86 TYR H H 7.48 . 1 848 . 86 TYR C C 173.95 . 1 849 . 86 TYR CA C 58.65 . 1 850 . 86 TYR HA H 4.66 . 1 851 . 86 TYR CB C 41.09 . 1 852 . 86 TYR HB2 H 2.89 . 2 853 . 86 TYR HD1 H 7.10 . 3 854 . 86 TYR HE1 H 6.82 . 3 855 . 86 TYR CD1 C 133.80 . 3 856 . 86 TYR CE1 C 118.00 . 3 857 . 87 ASN N N 118.33 . 1 858 . 87 ASN H H 10.03 . 1 859 . 87 ASN C C 175.42 . 1 860 . 87 ASN CA C 52.24 . 1 861 . 87 ASN HA H 6.12 . 1 862 . 87 ASN CB C 42.96 . 1 863 . 87 ASN HB2 H 2.56 . 2 864 . 87 ASN HB3 H 2.31 . 2 865 . 87 ASN HD21 H 6.68 . 2 866 . 87 ASN HD22 H 6.54 . 2 867 . 87 ASN ND2 N 107.26 . 1 868 . 88 THR N N 107.61 . 1 869 . 88 THR H H 8.69 . 1 870 . 88 THR C C 173.53 . 1 871 . 88 THR CA C 59.93 . 1 872 . 88 THR HA H 5.01 . 1 873 . 88 THR CB C 73.23 . 1 874 . 88 THR HB H 4.00 . 1 875 . 88 THR HG2 H 1.19 . 1 876 . 88 THR CG2 C 22.29 . 1 877 . 89 TYR N N 118.89 . 1 878 . 89 TYR H H 10.40 . 1 879 . 89 TYR C C 174.37 . 1 880 . 89 TYR CA C 58.19 . 1 881 . 89 TYR HA H 4.95 . 1 882 . 89 TYR CB C 40.35 . 1 883 . 89 TYR HB2 H 2.44 . 2 884 . 89 TYR HB3 H 2.30 . 2 885 . 89 TYR HD1 H 6.90 . 3 886 . 89 TYR HE1 H 6.35 . 3 887 . 89 TYR CD1 C 131.90 . 3 888 . 89 TYR CE1 C 117.50 . 3 889 . 90 LYS N N 125.14 . 1 890 . 90 LYS H H 8.86 . 1 891 . 90 LYS C C 176.37 . 1 892 . 90 LYS CA C 54.55 . 1 893 . 90 LYS HA H 4.82 . 1 894 . 90 LYS CB C 35.57 . 1 895 . 90 LYS HB2 H 1.49 . 2 896 . 90 LYS HB3 H 1.38 . 2 897 . 90 LYS HG2 H 0.80 . 2 898 . 90 LYS CG C 24.20 . 1 899 . 90 LYS CD C 29.75 . 1 900 . 90 LYS CE C 42.64 . 1 901 . 91 SER N N 120.16 . 1 902 . 91 SER H H 8.63 . 1 903 . 91 SER C C 175.35 . 1 904 . 91 SER CA C 59.06 . 1 905 . 91 SER HA H 3.93 . 1 906 . 91 SER CB C 65.19 . 1 907 . 91 SER HB2 H 4.40 . 2 908 . 91 SER HB3 H 3.98 . 2 909 . 92 LYS N N 128.46 . 1 910 . 92 LYS H H 7.79 . 1 911 . 92 LYS C C 179.60 . 1 912 . 92 LYS CA C 60.44 . 1 913 . 92 LYS HA H 3.80 . 1 914 . 92 LYS CB C 33.62 . 1 915 . 92 LYS HB2 H 1.85 . 2 916 . 92 LYS HB3 H 1.15 . 2 917 . 92 LYS HG2 H 1.42 . 2 918 . 92 LYS HD2 H 1.68 . 2 919 . 92 LYS HE2 H 2.75 . 2 920 . 92 LYS CG C 26.02 . 1 921 . 92 LYS CD C 30.30 . 1 922 . 92 LYS CE C 42.53 . 1 923 . 93 VAL N N 118.36 . 1 924 . 93 VAL H H 8.44 . 1 925 . 93 VAL C C 172.39 . 1 926 . 93 VAL CA C 65.56 . 1 927 . 93 VAL HA H 3.46 . 1 928 . 93 VAL CB C 31.81 . 1 929 . 93 VAL HB H 1.50 . 1 930 . 93 VAL HG1 H 0.64 . 2 931 . 93 VAL HG2 H 0.21 . 2 932 . 93 VAL CG1 C 22.23 . 1 933 . 93 VAL CG2 C 20.45 . 1 934 . 94 HIS N N 116.19 . 1 935 . 94 HIS H H 7.37 . 1 936 . 94 HIS C C 173.69 . 1 937 . 94 HIS CA C 54.55 . 1 938 . 94 HIS HA H 4.29 . 1 939 . 94 HIS CB C 29.71 . 1 940 . 94 HIS HB2 H 2.52 . 2 941 . 94 HIS HD2 H 7.06 . 2 942 . 94 HIS HE1 H 8.65 . 2 943 . 94 HIS CD2 C 119.65 . 3 944 . 94 HIS CE1 C 136.80 . 3 945 . 95 ALA N N 125.00 . 1 946 . 95 ALA H H 7.24 . 1 947 . 95 ALA C C 179.48 . 1 948 . 95 ALA CA C 55.44 . 1 949 . 95 ALA HA H 3.77 . 1 950 . 95 ALA CB C 18.82 . 1 951 . 95 ALA HB H 1.39 . 1 952 . 96 ASP N N 115.88 . 1 953 . 96 ASP H H 8.57 . 1 954 . 96 ASP C C 174.54 . 1 955 . 96 ASP CA C 55.68 . 1 956 . 96 ASP HA H 3.95 . 1 957 . 96 ASP CB C 39.49 . 1 958 . 96 ASP HB2 H 2.35 . 2 959 . 97 LYS N N 118.28 . 1 960 . 97 LYS H H 7.35 . 1 961 . 97 LYS C C 177.43 . 1 962 . 97 LYS CA C 55.62 . 1 963 . 97 LYS HA H 4.19 . 1 964 . 97 LYS CB C 31.85 . 1 965 . 97 LYS HB2 H 1.25 . 2 966 . 97 LYS HB3 H 0.72 . 2 967 . 97 LYS HG2 H 0.93 . 2 968 . 97 LYS HD2 H 1.29 . 2 969 . 97 LYS HE2 H 2.60 . 2 970 . 97 LYS CG C 24.20 . 1 971 . 97 LYS CD C 28.51 . 1 972 . 97 LYS CE C 41.55 . 1 973 . 98 ASP N N 115.95 . 1 974 . 98 ASP H H 7.91 . 1 975 . 98 ASP C C 172.51 . 1 976 . 98 ASP CA C 55.62 . 1 977 . 98 ASP HA H 3.80 . 1 978 . 98 ASP CB C 40.28 . 1 979 . 98 ASP HB2 H 2.92 . 2 980 . 99 TRP N N 116.60 . 1 981 . 99 TRP H H 6.76 . 1 982 . 99 TRP C C 174.24 . 1 983 . 99 TRP CA C 54.81 . 1 984 . 99 TRP HA H 4.92 . 1 985 . 99 TRP CB C 31.32 . 1 986 . 99 TRP HB2 H 3.13 . 2 987 . 99 TRP HB3 H 2.60 . 2 988 . 99 TRP HD1 H 6.89 . 2 989 . 99 TRP HE3 H 7.34 . 1 990 . 99 TRP HZ3 H 6.19 . 3 991 . 99 TRP HZ2 H 7.43 . 3 992 . 99 TRP HH2 H 7.11 . 3 993 . 99 TRP HE1 H 10.02 . 3 994 . 100 PHE N N 122.30 . 1 995 . 100 PHE H H 8.53 . 1 996 . 100 PHE C C 175.79 . 1 997 . 100 PHE CA C 57.47 . 1 998 . 100 PHE HA H 5.28 . 1 999 . 100 PHE CB C 42.91 . 1 1000 . 100 PHE HB2 H 2.50 . 2 1001 . 100 PHE HB3 H 2.57 . 2 1002 . 100 PHE HD1 H 7.39 . 3 1003 . 100 PHE HE1 H 7.26 . 3 1004 . 100 PHE CD1 C 133.50 . 3 1005 . 100 PHE CE1 C 131.00 . 3 1006 . 100 PHE CZ C 128.80 . 3 1007 . 101 VAL N N 120.27 . 1 1008 . 101 VAL H H 8.57 . 1 1009 . 101 VAL C C 176.42 . 1 1010 . 101 VAL CA C 63.56 . 1 1011 . 101 VAL HA H 3.84 . 1 1012 . 101 VAL CB C 32.97 . 1 1013 . 101 VAL HB H 1.90 . 1 1014 . 101 VAL HG1 H 0.45 . 2 1015 . 101 VAL HG2 H 0.39 . 2 1016 . 101 VAL CG1 C 23.74 . 1 1017 . 101 VAL CG2 C 20.54 . 1 1018 . 102 GLY N N 113.87 . 1 1019 . 102 GLY H H 8.90 . 1 1020 . 102 GLY C C 173.22 . 1 1021 . 102 GLY CA C 46.30 . 1 1022 . 102 GLY HA2 H 5.30 . 2 1023 . 102 GLY HA3 H 3.03 . 2 1024 . 103 ILE N N 121.27 . 1 1025 . 103 ILE H H 8.34 . 1 1026 . 103 ILE C C 178.83 . 1 1027 . 103 ILE CA C 61.00 . 1 1028 . 103 ILE HA H 4.24 . 1 1029 . 103 ILE CB C 40.40 . 1 1030 . 103 ILE HB H 2.00 . 1 1031 . 103 ILE HG12 H 1.52 . 2 1032 . 103 ILE HG13 H 1.08 . 2 1033 . 103 ILE HG2 H 0.59 . 1 1034 . 103 ILE HD1 H 0.77 . 1 1035 . 103 ILE CG1 C 27.75 . 1 1036 . 103 ILE CG2 C 16.64 . 1 1037 . 103 ILE CD1 C 12.77 . 1 1038 . 104 LYS N N 123.66 . 1 1039 . 104 LYS H H 8.87 . 1 1040 . 104 LYS C C 174.37 . 1 1041 . 104 LYS CA C 56.35 . 1 1042 . 104 LYS HA H 4.70 . 1 1043 . 104 LYS CB C 33.14 . 1 1044 . 104 LYS HB2 H 2.10 . 2 1045 . 104 LYS HG2 H 1.48 . 2 1046 . 104 LYS HD2 H 2.02 . 2 1047 . 104 LYS HE2 H 3.18 . 2 1048 . 104 LYS CG C 24.53 . 1 1049 . 104 LYS CD C 29.24 . 1 1050 . 104 LYS CE C 41.45 . 1 1051 . 105 LYS N N 117.37 . 1 1052 . 105 LYS H H 8.80 . 1 1053 . 105 LYS C C 176.34 . 1 1054 . 105 LYS CA C 60.18 . 1 1055 . 105 LYS HA H 7.96 . 1 1056 . 105 LYS CB C 31.52 . 1 1057 . 105 LYS HB2 H 1.98 . 2 1058 . 105 LYS HB3 H 1.72 . 2 1059 . 105 LYS HG2 H 1.55 . 2 1060 . 105 LYS HD2 H 1.25 . 2 1061 . 105 LYS HE2 H 3.00 . 2 1062 . 105 LYS CG C 25.63 . 1 1063 . 105 LYS CD C 29.31 . 1 1064 . 105 LYS CE C 42.04 . 1 1065 . 106 ASN N N 117.73 . 1 1066 . 106 ASN H H 7.62 . 1 1067 . 106 ASN C C 176.56 . 1 1068 . 106 ASN CA C 52.24 . 1 1069 . 106 ASN HA H 4.58 . 1 1070 . 106 ASN CB C 38.29 . 1 1071 . 106 ASN HB2 H 3.18 . 2 1072 . 106 ASN HB3 H 2.74 . 2 1073 . 106 ASN HD21 H 7.23 . 2 1074 . 106 ASN HD22 H 6.44 . 2 1075 . 106 ASN ND2 N 105.65 . 1 1076 . 107 GLY N N 110.23 . 1 1077 . 107 GLY H H 7.82 . 1 1078 . 107 GLY C C 171.99 . 1 1079 . 107 GLY CA C 44.66 . 1 1080 . 107 GLY HA2 H 3.25 . 2 1081 . 107 GLY HA3 H 1.63 . 2 1082 . 108 LYS N N 117.29 . 1 1083 . 108 LYS H H 7.29 . 1 1084 . 108 LYS C C 176.62 . 1 1085 . 108 LYS CA C 54.62 . 1 1086 . 108 LYS HA H 4.67 . 1 1087 . 108 LYS CB C 33.05 . 1 1088 . 108 LYS HB2 H 1.86 . 2 1089 . 108 LYS HB3 H 1.74 . 2 1090 . 108 LYS HG2 H 1.30 . 2 1091 . 108 LYS HD2 H 1.24 . 2 1092 . 108 LYS HE2 H 2.92 . 2 1093 . 108 LYS CG C 25.48 . 1 1094 . 108 LYS CD C 28.63 . 1 1095 . 109 THR H H 8.81 . 1 1096 . 109 THR C C 176.51 . 1 1097 . 109 THR CA C 62.44 . 1 1098 . 109 THR HA H 4.27 . 1 1099 . 109 THR CB C 70.08 . 1 1100 . 109 THR HB H 4.21 . 1 1101 . 109 THR HG2 H 1.19 . 1 1102 . 109 THR CG2 C 23.85 . 1 1103 . 109 THR N N 109.69 . 1 1104 . 110 LYS N N 122.33 . 1 1105 . 110 LYS H H 8.09 . 1 1106 . 110 LYS CA C 52.96 . 1 1107 . 110 LYS HA H 4.31 . 1 1108 . 110 LYS HB2 H 1.33 . 2 1109 . 110 LYS HB3 H 1.00 . 2 1110 . 110 LYS HG2 H 1.17 . 2 1111 . 110 LYS HD2 H 1.20 . 2 1112 . 110 LYS CB C 34.98 . 1 1113 . 111 PRO C C 178.83 . 1 1114 . 111 PRO CA C 64.66 . 1 1115 . 111 PRO HA H 4.25 . 1 1116 . 111 PRO CB C 32.13 . 1 1117 . 111 PRO HB2 H 1.90 . 2 1118 . 111 PRO HB3 H 1.97 . 2 1119 . 111 PRO HG2 H 1.51 . 2 1120 . 111 PRO HG3 H 1.26 . 2 1121 . 111 PRO HD2 H 3.92 . 2 1122 . 111 PRO HD3 H 3.48 . 2 1123 . 111 PRO CG C 26.81 . 1 1124 . 111 PRO CD C 50.77 . 1 1125 . 112 GLY N N 116.28 . 1 1126 . 112 GLY H H 9.51 . 1 1127 . 112 GLY C C 177.70 . 1 1128 . 112 GLY CA C 47.07 . 1 1129 . 112 GLY HA2 H 4.07 . 2 1130 . 112 GLY HA3 H 3.42 . 2 1131 . 113 SER N N 111.36 . 1 1132 . 113 SER H H 7.53 . 1 1133 . 113 SER C C 174.10 . 1 1134 . 113 SER CA C 59.57 . 1 1135 . 113 SER HA H 4.37 . 1 1136 . 113 SER CB C 62.57 . 1 1137 . 113 SER HB2 H 3.80 . 2 1138 . 113 SER HB3 H 3.74 . 2 1139 . 114 ARG N N 120.62 . 1 1140 . 114 ARG H H 7.70 . 1 1141 . 114 ARG C C 176.06 . 1 1142 . 114 ARG CA C 54.55 . 1 1143 . 114 ARG HA H 4.51 . 1 1144 . 114 ARG CB C 30.25 . 1 1145 . 114 ARG HB2 H 2.14 . 2 1146 . 114 ARG HB3 H 1.72 . 2 1147 . 114 ARG HG2 H 1.38 . 2 1148 . 114 ARG HD2 H 3.21 . 2 1149 . 114 ARG CG C 26.71 . 1 1150 . 114 ARG CD C 43.90 . 1 1151 . 115 THR N N 110.16 . 1 1152 . 115 THR H H 7.46 . 1 1153 . 115 THR C C 178.64 . 1 1154 . 115 THR CA C 60.54 . 1 1155 . 115 THR HA H 5.20 . 1 1156 . 115 THR CB C 73.03 . 1 1157 . 115 THR HB H 4.15 . 1 1158 . 115 THR HG1 H 5.96 . 2 1159 . 115 THR HG2 H 1.23 . 1 1160 . 115 THR CG2 C 21.59 . 1 1161 . 116 HIS N N 112.10 . 1 1162 . 116 HIS H H 7.32 . 1 1163 . 116 HIS C C 176.11 . 1 1164 . 116 HIS CA C 55.32 . 1 1165 . 116 HIS HA H 4.92 . 1 1166 . 116 HIS CB C 31.33 . 1 1167 . 116 HIS HB2 H 3.44 . 2 1168 . 116 HIS HB3 H 3.17 . 2 1169 . 116 HIS HD2 H 7.06 . 2 1170 . 116 HIS HE1 H 8.04 . 2 1171 . 116 HIS CD2 C 120.44 . 1 1172 . 116 HIS CE1 C 137.54 . 1 1173 . 117 PHE N N 122.25 . 1 1174 . 117 PHE H H 9.33 . 1 1175 . 117 PHE C C 175.40 . 1 1176 . 117 PHE CA C 61.06 . 1 1177 . 117 PHE HA H 3.82 . 1 1178 . 117 PHE CB C 38.96 . 1 1179 . 117 PHE HB2 H 3.12 . 2 1180 . 117 PHE HB3 H 2.92 . 2 1181 . 118 GLY N N 117.18 . 1 1182 . 118 GLY H H 8.05 . 1 1183 . 118 GLY C C 172.50 . 1 1184 . 118 GLY CA C 44.77 . 1 1185 . 118 GLY HA2 H 4.20 . 2 1186 . 118 GLY HA3 H 3.08 . 2 1187 . 119 GLN N N 118.73 . 1 1188 . 119 GLN H H 7.07 . 1 1189 . 119 GLN C C 174.70 . 1 1190 . 119 GLN CA C 55.32 . 1 1191 . 119 GLN HA H 4.12 . 1 1192 . 119 GLN CB C 31.12 . 1 1193 . 119 GLN HB2 H 1.88 . 2 1194 . 119 GLN HG2 H 2.29 . 2 1195 . 119 GLN HG3 H 2.00 . 2 1196 . 119 GLN CG C 33.75 . 1 1197 . 119 GLN HE21 H 7.11 . 2 1198 . 119 GLN HE22 H 6.88 . 2 1199 . 119 GLN NE2 N 109.00 . 2 1200 . 120 LYS N N 123.25 . 1 1201 . 120 LYS H H 8.47 . 1 1202 . 120 LYS C C 178.20 . 1 1203 . 120 LYS CA C 59.36 . 1 1204 . 120 LYS HA H 3.60 . 1 1205 . 120 LYS CB C 32.03 . 1 1206 . 120 LYS HB2 H 1.42 . 2 1207 . 120 LYS HB3 H 1.35 . 2 1208 . 120 LYS HG2 H 1.17 . 2 1209 . 120 LYS HD2 H 1.48 . 2 1210 . 120 LYS HZ H 2.85 . 9 1211 . 120 LYS CG C 25.43 . 1 1212 . 120 LYS CD C 29.17 . 1 1213 . 120 LYS CE C 42.08 . 1 1214 . 121 ALA N N 114.73 . 1 1215 . 121 ALA H H 7.80 . 1 1216 . 121 ALA C C 175.50 . 1 1217 . 121 ALA CA C 54.50 . 1 1218 . 121 ALA HA H 3.90 . 1 1219 . 121 ALA CB C 20.33 . 1 1220 . 121 ALA HB H 1.05 . 1 1221 . 122 ILE N N 101.83 . 1 1222 . 122 ILE H H 6.11 . 1 1223 . 122 ILE C C 175.05 . 1 1224 . 122 ILE CA C 59.67 . 1 1225 . 122 ILE HA H 5.15 . 1 1226 . 122 ILE CB C 38.58 . 1 1227 . 122 ILE HB H 2.22 . 1 1228 . 122 ILE HG12 H 1.05 . 2 1229 . 122 ILE HG2 H 0.64 . 1 1230 . 122 ILE HD1 H -0.16 . 1 1231 . 122 ILE CG1 C 25.00 . 1 1232 . 122 ILE CG2 C 17.60 . 1 1233 . 122 ILE CD1 C 14.21 . 1 1234 . 123 LEU N N 122.06 . 1 1235 . 123 LEU H H 6.93 . 1 1236 . 123 LEU C C 173.87 . 1 1237 . 123 LEU CA C 54.10 . 1 1238 . 123 LEU HA H 4.59 . 1 1239 . 123 LEU CB C 41.92 . 1 1240 . 123 LEU HB2 H 1.43 . 2 1241 . 123 LEU HB3 H 0.65 . 2 1242 . 123 LEU HG H 1.04 . 1 1243 . 123 LEU HD1 H -0.36 . 2 1244 . 123 LEU HD2 H 0.57 . 2 1245 . 123 LEU CG C 25.83 . 1 1246 . 123 LEU CD1 C 25.57 . 1 1247 . 123 LEU CD2 C 21.99 . 1 1248 . 124 PHE N N 121.58 . 1 1249 . 124 PHE H H 9.57 . 1 1250 . 124 PHE C C 175.46 . 1 1251 . 124 PHE CA C 56.75 . 1 1252 . 124 PHE HA H 5.76 . 1 1253 . 124 PHE CB C 46.42 . 1 1254 . 124 PHE HB2 H 3.05 . 2 1255 . 124 PHE HB3 H 2.88 . 2 1256 . 124 PHE HD1 H 7.18 . 3 1257 . 124 PHE HE1 H 7.18 . 3 1258 . 124 PHE HZ H 6.98 . 1 1259 . 124 PHE CD1 C 131.80 . 3 1260 . 124 PHE CE1 C 129.70 . 3 1261 . 124 PHE CZ C 128.80 . 3 1262 . 125 LEU N N 123.03 . 1 1263 . 125 LEU H H 10.08 . 1 1264 . 125 LEU CA C 51.48 . 1 1265 . 125 LEU HA H 5.23 . 1 1266 . 125 LEU HB2 H 1.65 . 2 1267 . 125 LEU HB3 H 1.42 . 2 1268 . 125 LEU HG H 1.47 . 1 1269 . 125 LEU HD1 H 0.70 . 2 1270 . 125 LEU HD2 H 0.62 . 2 1271 . 125 LEU CB C 45.52 . 1 1272 . 126 PRO C C 176.92 . 1 1273 . 126 PRO CA C 61.21 . 1 1274 . 126 PRO HA H 5.48 . 1 1275 . 126 PRO CB C 30.77 . 1 1276 . 126 PRO HB2 H 1.92 . 2 1277 . 126 PRO HB3 H 1.30 . 2 1278 . 126 PRO HG2 H 2.13 . 2 1279 . 126 PRO HD2 H 3.98 . 2 1280 . 126 PRO HD3 H 3.30 . 2 1281 . 126 PRO CG C 27.88 . 1 1282 . 126 PRO CD C 51.74 . 1 1283 . 127 LEU N N 128.69 . 1 1284 . 127 LEU H H 9.56 . 1 1285 . 127 LEU CA C 52.00 . 1 1286 . 127 LEU HA H 4.90 . 1 1287 . 127 LEU HB2 H 1.50 . 2 1288 . 127 LEU HB3 H 1.70 . 2 1289 . 127 LEU HG H 1.78 . 1 1290 . 127 LEU HD1 H 0.79 . 2 1291 . 127 LEU HD2 H 0.42 . 2 1292 . 127 LEU CB C 44.25 . 1 1293 . 128 PRO C C 176.52 . 1 1294 . 128 PRO CA C 62.44 . 1 1295 . 128 PRO HA H 4.60 . 1 1296 . 128 PRO CB C 32.13 . 1 1297 . 128 PRO HB2 H 2.22 . 2 1298 . 128 PRO HB3 H 1.87 . 2 1299 . 128 PRO HG2 H 1.94 . 2 1300 . 128 PRO HD2 H 3.76 . 2 1301 . 128 PRO HD3 H 3.58 . 2 1302 . 128 PRO CG C 27.30 . 1 1303 . 128 PRO CD C 50.48 . 1 1304 . 129 VAL N N 119.36 . 1 1305 . 129 VAL H H 8.05 . 1 1306 . 129 VAL C C 178.20 . 1 1307 . 129 VAL CA C 64.43 . 1 1308 . 129 VAL HA H 3.65 . 1 1309 . 129 VAL CB C 32.09 . 1 1310 . 129 VAL HB H 1.83 . 1 1311 . 129 VAL HG1 H 0.74 . 2 1312 . 129 VAL CG1 C 21.12 . 1 1313 . 129 VAL CG2 C 21.12 . 1 1314 . 130 SER N N 115.75 . 1 1315 . 130 SER H H 7.97 . 1 1316 . 130 SER C C 174.39 . 1 1317 . 130 SER CA C 57.42 . 1 1318 . 130 SER HA H 4.52 . 1 1319 . 130 SER CB C 64.56 . 1 1320 . 130 SER HB2 H 3.80 . 2 1321 . 131 SER N N 118.24 . 1 1322 . 131 SER H H 8.50 . 1 1323 . 131 SER C C 175.35 . 1 1324 . 131 SER CA C 58.49 . 1 1325 . 131 SER HA H 4.51 . 1 1326 . 131 SER CB C 64.17 . 1 1327 . 131 SER HB2 H 3.80 . 2 1328 . 131 SER HB3 H 3.74 . 2 1329 . 132 ASP N N 127.45 . 1 1330 . 132 ASP H H 8.04 . 1 1331 . 132 ASP CA C 56.19 . 1 1332 . 132 ASP HA H 4.30 . 1 1333 . 132 ASP CB C 42.35 . 1 1334 . 132 ASP HB2 H 2.59 . 2 1335 . 132 ASP HB3 H 2.44 . 2 stop_ save_