data_4091 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C, and 13CO Assignments and Secondary Structure Determination of Basic Fibroblast Growth Factor using 3D Heteronuclear NMR Spectroscopy ; _BMRB_accession_number 4091 _BMRB_flat_file_name bmr4091.str _Entry_type original _Submission_date 1998-01-06 _Accession_date 1998-01-08 _Entry_origination BMRB _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 Moy Franklin J. . 2 Seddon Andrew P. . 3 Campbell Ernest B. . 4 Bohlen Peter . . 5 Powers Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 918 "13C chemical shifts" 686 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1998-03-14 original author . stop_ _Original_release_date 1998-03-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Moy, F. J., Seddon, A. P., Campbell, E. B., Bohlen, P., and Powers, R., "1H, 15N, 13C, and 13CO Assignments and Secondary Structure Determination of Basic Fibroblast Growth Factor using 3D Heteronuclear NMR Spectroscopy," J. Biomol. NMR 6, 245-254 (1995). ; _Citation_title ; 1H, 15N, 13C, and 13CO Assignments and Secondary Structure Determination of Basic Fibroblast Growth Factor using 3D Heteronuclear NMR Spectroscopy ; _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 Moy Franklin J. . 2 Seddon Andrew P. . 3 Campbell Ernest B. . 4 Bohlen Peter . . 5 Powers Robert . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 245 _Page_last 254 _Year 1995 _Details . loop_ _Keyword 'Basic Fibroblast Growth Factor' stop_ save_ ################################## # Molecular system description # ################################## save_system_FGF-2 _Saveframe_category molecular_system _Mol_system_name 'basic fibroblast growth factor' _Abbreviation_common FGF-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FGF-2 $FGF-2 stop_ _System_molecular_weight 17200 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Exhibits angiogenic and a variety of growth and differentiation activities' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FGF-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'basic fibroblast Growth Factor' _Abbreviation_common FGF-2 _Molecular_mass 17200 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; AEGEITTLPALPEDGGSGAF PPGHFKDPKRLYCKNGGFFL RIHPDGRVDGVREKSDPHIK LQLQAEERGVVSIKGVSANR YLAMKEDGRLLASKSVTDEC FFFERLESNNYNTYRSRKYT SWYVALKRTGQYKLGSKTGP GQKAILFLPMSAKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 ALA 2 3 GLU 3 4 GLY 4 5 GLU 5 6 ILE 6 7 THR 7 8 THR 8 9 LEU 9 10 PRO 10 11 ALA 11 12 LEU 12 13 PRO 13 14 GLU 14 15 ASP 15 16 GLY 16 17 GLY 17 18 SER 18 19 GLY 19 20 ALA 20 21 PHE 21 22 PRO 22 23 PRO 23 24 GLY 24 25 HIS 25 26 PHE 26 27 LYS 27 28 ASP 28 29 PRO 29 30 LYS 30 31 ARG 31 32 LEU 32 33 TYR 33 34 CYS 34 35 LYS 35 36 ASN 36 37 GLY 37 38 GLY 38 39 PHE 39 40 PHE 40 41 LEU 41 42 ARG 42 43 ILE 43 44 HIS 44 45 PRO 45 46 ASP 46 47 GLY 47 48 ARG 48 49 VAL 49 50 ASP 50 51 GLY 51 52 VAL 52 53 ARG 53 54 GLU 54 55 LYS 55 56 SER 56 57 ASP 57 58 PRO 58 59 HIS 59 60 ILE 60 61 LYS 61 62 LEU 62 63 GLN 63 64 LEU 64 65 GLN 65 66 ALA 66 67 GLU 67 68 GLU 68 69 ARG 69 70 GLY 70 71 VAL 71 72 VAL 72 73 SER 73 74 ILE 74 75 LYS 75 76 GLY 76 77 VAL 77 78 SER 78 79 ALA 79 80 ASN 80 81 ARG 81 82 TYR 82 83 LEU 83 84 ALA 84 85 MET 85 86 LYS 86 87 GLU 87 88 ASP 88 89 GLY 89 90 ARG 90 91 LEU 91 92 LEU 92 93 ALA 93 94 SER 94 95 LYS 95 96 SER 96 97 VAL 97 98 THR 98 99 ASP 99 100 GLU 100 101 CYS 101 102 PHE 102 103 PHE 103 104 PHE 104 105 GLU 105 106 ARG 106 107 LEU 107 108 GLU 108 109 SER 109 110 ASN 110 111 ASN 111 112 TYR 112 113 ASN 113 114 THR 114 115 TYR 115 116 ARG 116 117 SER 117 118 ARG 118 119 LYS 119 120 TYR 120 121 THR 121 122 SER 122 123 TRP 123 124 TYR 124 125 VAL 125 126 ALA 126 127 LEU 127 128 LYS 128 129 ARG 129 130 THR 130 131 GLY 131 132 GLN 132 133 TYR 133 134 LYS 134 135 LEU 135 136 GLY 136 137 SER 137 138 LYS 138 139 THR 139 140 GLY 140 141 PRO 141 142 GLY 142 143 GLN 143 144 LYS 144 145 ALA 145 146 ILE 146 147 LEU 147 148 PHE 148 149 LEU 149 150 PRO 150 151 MET 151 152 SER 152 153 ALA 153 154 LYS 154 155 SER 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 BMRB 18995 FGF2 81.82 126 100.00 100.00 3.24e-87 PDB 1BAS "Three-Dimensional Structures Of Acidic And Basic Fibroblast Growth Factors" 100.00 154 98.70 98.70 1.60e-107 PDB 1BFB "Basic Fibroblast Growth Factor Complexed With Heparin Tetramer Fragment" 95.45 147 100.00 100.00 1.40e-103 PDB 1BFC "Basic Fibroblast Growth Factor Complexed With Heparin Hexamer Fragment" 95.45 147 100.00 100.00 1.40e-103 PDB 1BFF "The 154 Amino Acid Form Of Human Basic Fibroblast Growth Factor" 83.77 129 98.45 98.45 1.30e-87 PDB 1BFG "Crystal Structure Of Basic Fibroblast Growth Factor At 1.6 Angstroms Resolution" 94.81 146 100.00 100.00 6.24e-103 PDB 1BLA "Basic Fibroblast Growth Factor (Fgf-2) Mutant With Cys 78 Replaced By Ser And Cys 96 Replaced By Ser, Nmr" 100.00 155 100.00 100.00 4.91e-109 PDB 1BLD "Basic Fibroblast Growth Factor (Fgf-2) Mutant With Cys 78 Replaced By Ser And Cys 96 Replaced By Ser, Nmr" 100.00 155 100.00 100.00 4.91e-109 PDB 1CVS "Crystal Structure Of A Dimeric Fgf2-Fgfr1 Complex" 85.71 132 100.00 100.00 6.85e-92 PDB 1EV2 "Crystal Structure Of Fgf2 In Complex With The Extracellular Ligand Binding Domain Of Fgf Receptor 2 (Fgfr2)" 85.71 132 100.00 100.00 6.85e-92 PDB 1FGA "Refinement Of The Structure Of Human Basic Fibroblast Growth Factor At 1.6 Angstroms Resolution And Analysis Of Presumed Hepari" 94.81 146 98.63 98.63 1.81e-101 PDB 1FQ9 "Crystal Structure Of A Ternary Fgf2-Fgfr1-Heparin Complex" 85.71 132 100.00 100.00 6.85e-92 PDB 1II4 "Crystal Structure Of Ser252trp Apert Mutant Fgf Receptor 2 (Fgfr2) In Complex With Fgf2" 100.00 155 98.70 98.70 1.42e-107 PDB 1IIL "Crystal Structure Of Pro253arg Apert Mutant Fgf Receptor 2 (Fgfr2) In Complex With Fgf2" 100.00 155 98.70 98.70 1.42e-107 PDB 2BFH "Crystal Structure Of Basic Fibroblast Growth Factor At 1.6 Angstroms Resolution" 83.12 128 98.44 98.44 6.59e-87 PDB 2FGF "Three-Dimensional Structure Of Human Basic Fibroblast Growth Factor, A Structural Homolog Of Interleukin 1beta" 94.81 146 98.63 98.63 1.81e-101 PDB 2M49 "Structural Insights Into Human S100b And Basic Fibroblast Growth Factor (fgf2) Interaction" 81.82 126 100.00 100.00 3.24e-87 PDB 4FGF "Refinement Of The Structure Of Human Basic Fibroblast Growth Factor At 1.6 Angstroms Resolution And Analysis Of Presumed Hepari" 94.81 146 98.63 98.63 1.81e-101 PDB 4OEE "Crystal Structure Analysis Of Fgf2-disaccharide (s3i2) Complex" 100.00 155 98.70 98.70 1.42e-107 PDB 4OEF "Crystal Structure Analysis Of Fgf2-disaccharide (s6i2) Complex" 100.00 155 98.70 98.70 1.42e-107 PDB 4OEG "Crystal Structure Analysis Of Fgf2-disaccharide (s9i2) Complex" 100.00 155 98.70 98.70 1.42e-107 DBJ BAG70135 "heparin-binding growth factor 2 precursor [Homo sapiens]" 100.00 155 97.40 97.40 4.80e-106 DBJ BAG70264 "heparin-binding growth factor 2 precursor [Homo sapiens]" 100.00 155 97.40 97.40 4.80e-106 EMBL CCO13911 "SP1-fibroblast growth factor 2 fusion protein [synthetic construct]" 94.81 170 98.63 98.63 1.06e-101 EMBL CCO13913 "truncated fibroblast growth factor 2, partial [synthetic construct]" 94.81 146 98.63 98.63 1.81e-101 GB AAA31248 "fibroblast growth factor, partial [Oryctolagus cuniculus]" 88.96 137 97.81 98.54 4.57e-94 GB AAA52448 "basic fibroblast growth factor [Homo sapiens]" 100.00 155 97.40 97.40 4.80e-106 GB AAA52531 "basic fibroblast growth factor (ctg start codon); putative [Homo sapiens]" 100.00 210 97.40 97.40 3.25e-105 GB AAA52532 "21 kd basic fibroblast growth factor (ctg start codon; put.); putative [Homo sapiens]" 100.00 196 97.40 97.40 1.35e-105 GB AAA52533 "18 kd basic fibroblast growth factor [Homo sapiens]" 100.00 155 97.40 97.40 4.80e-106 REF NP_001103711 "fibroblast growth factor 2 [Pan troglodytes]" 100.00 288 97.40 97.40 1.32e-104 REF NP_001997 "fibroblast growth factor 2 [Homo sapiens]" 100.00 288 97.40 97.40 1.49e-104 REF XP_001099284 "PREDICTED: heparin-binding growth factor 2 [Macaca mulatta]" 100.00 237 97.40 97.40 4.25e-105 REF XP_002815172 "PREDICTED: fibroblast growth factor 2, partial [Pongo abelii]" 100.00 322 97.40 97.40 2.03e-104 REF XP_003271404 "PREDICTED: LOW QUALITY PROTEIN: fibroblast growth factor 2 [Nomascus leucogenys]" 100.00 355 97.40 97.40 1.09e-103 SP P09038 "RecName: Full=Fibroblast growth factor 2; Short=FGF-2; AltName: Full=Basic fibroblast growth factor; Short=bFGF; AltName: Full=" 100.00 288 97.40 97.40 1.49e-104 SP P48799 "RecName: Full=Fibroblast growth factor 2; Short=FGF-2; AltName: Full=Basic fibroblast growth factor; Short=bFGF; AltName: Full=" 88.96 137 97.81 98.54 4.57e-94 SP Q5IS69 "RecName: Full=Fibroblast growth factor 2; Short=FGF-2; AltName: Full=Basic fibroblast growth factor; Short=bFGF; AltName: Full=" 100.00 288 97.40 97.40 1.32e-104 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FGF-2 Human . eucaryote Animalia 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 $FGF-2 'recombinant technology' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGF-2 1 mM [U-15N] DTT 10 mM . H2O 90 % . D2O 10 % . NaN3 2 mM . 'potassium phosphate' 50 mM . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGF-2 1 mM '[U-15N; U-13C]' DTT 10 mM . H2O 90 % . D2O 10 % . NaN3 2 mM . 'potassium phosphate' 50 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AM600 _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 TSP C 13 . ppm 0.00 external . . . . TSP H 1 . ppm 0.00 . . . . . 'liquid NH3' N 15 . ppm 0.00 external . . . . 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_chemical_shift_assignment _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name FGF-2 _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 ALA C C 173.4 . 1 2 . 1 ALA CA C 51.3 . 1 3 . 1 ALA HA H 4.05 . 1 4 . 1 ALA CB C 18.9 . 1 5 . 1 ALA HB H 1.46 . 1 6 . 2 GLU N N 118.4 . 1 7 . 2 GLU H H 8.73 . 1 8 . 2 GLU C C 176.4 . 1 9 . 2 GLU CA C 56.5 . 1 10 . 2 GLU HA H 4.24 . 1 11 . 2 GLU CB C 29.7 . 1 12 . 2 GLU HB2 H 2.03 . 2 13 . 2 GLU HB3 H 1.94 . 2 14 . 2 GLU CG C 35.7 . 1 15 . 2 GLU HG2 H 2.24 . 1 16 . 2 GLU HG3 H 2.24 . 1 17 . 3 GLY N N 108.5 . 1 18 . 3 GLY H H 8.57 . 1 19 . 3 GLY C C 173.5 . 1 20 . 3 GLY CA C 44.8 . 1 21 . 3 GLY HA2 H 3.87 . 1 22 . 3 GLY HA3 H 3.87 . 1 23 . 4 GLU N N 118.0 . 1 24 . 4 GLU H H 8.07 . 1 25 . 4 GLU C C 176.0 . 1 26 . 4 GLU CA C 55.8 . 1 27 . 4 GLU HA H 4.26 . 1 28 . 4 GLU CB C 30.1 . 1 29 . 4 GLU HB2 H 1.93 . 1 30 . 4 GLU HB3 H 1.93 . 1 31 . 4 GLU CG C 35.7 . 1 32 . 4 GLU HG2 H 2.16 . 1 33 . 4 GLU HG3 H 2.16 . 1 34 . 5 ILE N N 120.4 . 1 35 . 5 ILE H H 8.34 . 1 36 . 5 ILE CA C 60.7 . 1 37 . 5 ILE HA H 4.19 . 1 38 . 5 ILE CB C 38.3 . 1 39 . 5 ILE HB H 1.82 . 1 40 . 5 ILE HG12 H 1.47 . 2 41 . 5 ILE HG13 H 1.15 . 2 42 . 5 ILE HG2 H 0.83 . 1 43 . 5 ILE CG1 C 26.8 . 1 44 . 5 ILE CG2 C 17.2 . 1 45 . 5 ILE HD1 H 0.83 . 1 46 . 5 ILE CD1 C 12.4 . 1 47 . 6 THR N N 116.8 . 1 48 . 6 THR H H 8.30 . 1 49 . 6 THR C C 174.0 . 1 50 . 6 THR CA C 61.3 . 1 51 . 6 THR HA H 4.36 . 1 52 . 6 THR CB C 69.4 . 1 53 . 6 THR HB H 4.14 . 1 54 . 6 THR HG2 H 1.13 . 1 55 . 6 THR CG2 C 21.0 . 1 56 . 7 THR N N 115.1 . 1 57 . 7 THR H H 8.11 . 1 58 . 7 THR C C 173.6 . 1 59 . 7 THR CA C 61.3 . 1 60 . 7 THR HA H 4.27 . 1 61 . 7 THR CB C 69.4 . 1 62 . 7 THR HB H 4.09 . 1 63 . 7 THR HG2 H 1.12 . 1 64 . 7 THR CG2 C 21.2 . 1 65 . 8 LEU N N 124.2 . 1 66 . 8 LEU H H 8.26 . 1 67 . 8 LEU C C 174.6 . 1 68 . 8 LEU CA C 52.6 . 1 69 . 8 LEU HA H 4.55 . 1 70 . 8 LEU CB C 41.34 . 1 71 . 8 LEU HB2 H 1.53 . 1 72 . 8 LEU HB3 H 1.53 . 1 73 . 8 LEU CG C 26.6 . 1 74 . 8 LEU HG H 1.62 . 1 75 . 8 LEU HD1 H 0.87 . 1 76 . 8 LEU HD2 H 0.87 . 1 77 . 8 LEU CD1 C 24.8 . 2 78 . 8 LEU CD2 C 22.8 . 2 79 . 9 PRO C C 175.7 . 1 80 . 9 PRO CA C 62.4 . 1 81 . 9 PRO HA H 4.32 . 1 82 . 9 PRO CB C 31.7 . 1 83 . 9 PRO HB2 H 2.20 . 2 84 . 9 PRO HB3 H 1.83 . 2 85 . 9 PRO CG C 26.9 . 1 86 . 9 PRO HG2 H 1.94 . 1 87 . 9 PRO HG3 H 1.94 . 1 88 . 9 PRO CD C 50.1 . 1 89 . 9 PRO HD2 H 3.78 . 2 90 . 9 PRO HD3 H 3.58 . 2 91 . 10 ALA N N 122.0 . 1 92 . 10 ALA H H 8.25 . 1 93 . 10 ALA C C 176.9 . 1 94 . 10 ALA CA C 51.6 . 1 95 . 10 ALA HA H 4.24 . 1 96 . 10 ALA CB C 18.9 . 1 97 . 10 ALA HB H 1.28 . 1 98 . 11 LEU N N 120.7 . 1 99 . 11 LEU H H 8.25 . 1 100 . 11 LEU C C 175.0 . 1 101 . 11 LEU CA C 52.4 . 1 102 . 11 LEU HA H 4.55 . 1 103 . 11 LEU CB C 41.3 . 1 104 . 11 LEU HB2 H 1.53 . 1 105 . 11 LEU HB3 H 1.53 . 1 106 . 11 LEU CG C 26.6 . 1 107 . 11 LEU HG H 1.62 . 1 108 . 11 LEU HD1 H 0.87 . 1 109 . 11 LEU HD2 H 0.87 . 1 110 . 11 LEU CD1 C 24.8 . 2 111 . 11 LEU CD2 C 22.8 . 2 112 . 12 PRO C C 177.2 . 1 113 . 12 PRO CA C 62.7 . 1 114 . 12 PRO HA H 4.32 . 1 115 . 12 PRO CB C 31.6 . 1 116 . 12 PRO HB2 H 2.22 . 2 117 . 12 PRO HB3 H 1.85 . 2 118 . 12 PRO CG C 27.0 . 1 119 . 12 PRO HG2 H 1.98 . 1 120 . 12 PRO HG3 H 1.98 . 1 121 . 12 PRO CD C 50.1 . 1 122 . 12 PRO HD2 H 3.77 . 2 123 . 12 PRO HD3 H 3.58 . 2 124 . 13 GLU N N 118.7 . 1 125 . 13 GLU H H 8.60 . 1 126 . 13 GLU C C 176.0 . 1 127 . 13 GLU CA C 56.4 . 1 128 . 13 GLU HA H 4.17 . 1 129 . 13 GLU CB C 29.6 . 1 130 . 13 GLU HB2 H 1.99 . 2 131 . 13 GLU HB3 H 1.89 . 2 132 . 13 GLU CG C 35.8 . 1 133 . 13 GLU HG2 H 2.21 . 1 134 . 13 GLU HG3 H 2.21 . 1 135 . 14 ASP N N 118.7 . 1 136 . 14 ASP H H 8.25 . 1 137 . 14 ASP C C 176.5 . 1 138 . 14 ASP CA C 53.8 . 1 139 . 14 ASP HA H 4.54 . 1 140 . 14 ASP CB C 40.9 . 1 141 . 14 ASP HB2 H 2.64 . 1 142 . 14 ASP HB3 H 2.64 . 1 143 . 15 GLY N N 107.2 . 1 144 . 15 GLY H H 8.34 . 1 145 . 15 GLY C C 174.6 . 1 146 . 15 GLY CA C 45.3 . 1 147 . 15 GLY HA2 H 4.55 . 2 148 . 15 GLY HA3 H 3.88 . 2 149 . 16 GLY N N 106.5 . 1 150 . 16 GLY H H 8.35 . 1 151 . 16 GLY C C 174.1 . 1 152 . 16 GLY CA C 45.0 . 1 153 . 16 GLY HA2 H 3.95 . 2 154 . 16 GLY HA3 H 3.65 . 2 155 . 17 SER N N 113.2 . 1 156 . 17 SER H H 8.27 . 1 157 . 17 SER C C 174.7 . 1 158 . 17 SER CA C 58.4 . 1 159 . 17 SER HA H 4.38 . 1 160 . 17 SER CB C 63.4 . 1 161 . 17 SER HB2 H 3.86 . 1 162 . 17 SER HB3 H 3.86 . 1 163 . 18 GLY N N 108.5 . 1 164 . 18 GLY H H 8.42 . 1 165 . 18 GLY C C 173.1 . 1 166 . 18 GLY CA C 44.9 . 1 167 . 18 GLY HA2 H 3.85 . 1 168 . 18 GLY HA3 H 3.85 . 1 169 . 19 ALA N N 120.8 . 1 170 . 19 ALA H H 7.89 . 1 171 . 19 ALA C C 176.5 . 1 172 . 19 ALA CA C 51.8 . 1 173 . 19 ALA HA H 4.19 . 1 174 . 19 ALA CB C 18.9 . 1 175 . 19 ALA HB H 1.15 . 1 176 . 20 PHE N N 117.0 . 1 177 . 20 PHE H H 8.09 . 1 178 . 20 PHE C C 172.9 . 1 179 . 20 PHE CA C 55.1 . 1 180 . 20 PHE HA H 4.71 . 1 181 . 20 PHE CB C 39.0 . 1 182 . 20 PHE HB2 H 2.81 . 2 183 . 20 PHE HB3 H 2.71 . 2 184 . 20 PHE HD1 H 7.09 . 3 185 . 20 PHE HD2 H 7.09 . 3 186 . 20 PHE CD1 C 131.7 . 1 187 . 20 PHE CD2 C 131.7 . 1 188 . 20 PHE CE1 C 129.0 . 1 189 . 20 PHE CE2 C 129.0 . 1 190 . 20 PHE HE1 H 7.20 . 3 191 . 20 PHE HE2 H 7.20 . 3 192 . 20 PHE HZ H 7.39 . 1 193 . 21 PRO C C 174.3 . 1 194 . 21 PRO CA C 61.2 . 1 195 . 21 PRO HA H 4.74 . 1 196 . 21 PRO CB C 30.4 . 1 197 . 21 PRO HB2 H 2.36 . 2 198 . 21 PRO HB3 H 1.92 . 2 199 . 21 PRO CG C 27.0 . 1 200 . 21 PRO HG2 H 1.99 . 1 201 . 21 PRO HG3 H 1.99 . 1 202 . 21 PRO CD C 50.2 . 1 203 . 21 PRO HD2 H 3.81 . 2 204 . 21 PRO HD3 H 3.5 . 2 205 . 22 PRO C C 177.9 . 1 206 . 22 PRO CA C 63.6 . 1 207 . 22 PRO HA H 4.44 . 1 208 . 22 PRO CB C 31.6 . 1 209 . 22 PRO HB2 H 2.33 . 2 210 . 22 PRO HB3 H 1.88 . 2 211 . 22 PRO CG C 27.3 . 1 212 . 22 PRO HG2 H 2.05 . 1 213 . 22 PRO HG3 H 2.05 . 1 214 . 22 PRO CD C 50.1 . 1 215 . 22 PRO HD2 H 3.83 . 2 216 . 22 PRO HD3 H 3.64 . 2 217 . 23 GLY N N 106.4 . 1 218 . 23 GLY H H 8.70 . 1 219 . 23 GLY C C 174.4 . 1 220 . 23 GLY CA C 45.3 . 1 221 . 23 GLY HA2 H 3.95 . 2 222 . 23 GLY HA3 H 3.81 . 2 223 . 24 HIS N N 117.2 . 1 224 . 24 HIS H H 8.09 . 1 225 . 24 HIS C C 174.0 . 1 226 . 24 HIS CA C 57.0 . 1 227 . 24 HIS HA H 4.25 . 1 228 . 24 HIS CB C 29.3 . 1 229 . 24 HIS HB2 H 3.08 . 2 230 . 24 HIS HB3 H 2.85 . 2 231 . 24 HIS HD2 H 6.08 . 1 232 . 24 HIS CD2 C 119.4 . 1 233 . 24 HIS CE1 C 136.2 . 1 234 . 24 HIS HE1 H 7.95 . 1 235 . 25 PHE N N 114.7 . 1 236 . 25 PHE H H 8.07 . 1 237 . 25 PHE C C 175.5 . 1 238 . 25 PHE CA C 57.2 . 1 239 . 25 PHE HA H 4.54 . 1 240 . 25 PHE CB C 39.1 . 1 241 . 25 PHE HB2 H 3.31 . 2 242 . 25 PHE HB3 H 2.88 . 2 243 . 25 PHE HD1 H 7.20 . 1 244 . 25 PHE HD2 H 7.20 . 1 245 . 25 PHE CD1 C 131.7 . 1 246 . 25 PHE CD2 C 131.7 . 1 247 . 25 PHE HE1 H 7.28 . 2 248 . 25 PHE HE2 H 7.28 . 2 249 . 26 LYS N N 118.1 . 1 250 . 26 LYS H H 7.96 . 1 251 . 26 LYS C C 175.7 . 1 252 . 26 LYS CA C 57.0 . 1 253 . 26 LYS HA H 4.14 . 1 254 . 26 LYS CB C 32.8 . 1 255 . 26 LYS HB2 H 1.74 . 1 256 . 26 LYS HB3 H 1.74 . 1 257 . 26 LYS CG C 24.4 . 1 258 . 26 LYS HG2 H 1.36 . 1 259 . 26 LYS HG3 H 1.36 . 1 260 . 26 LYS CD C 28.7 . 1 261 . 26 LYS HD2 H 1.68 . 1 262 . 26 LYS HD3 H 1.68 . 1 263 . 26 LYS CE C 41.7 . 1 264 . 26 LYS HE2 H 2.96 . 1 265 . 26 LYS HE3 H 2.96 . 1 266 . 27 ASP N N 117.2 . 1 267 . 27 ASP H H 7.94 . 1 268 . 27 ASP C C 173.5 . 1 269 . 27 ASP CA C 52.1 . 1 270 . 27 ASP HA H 4.95 . 1 271 . 27 ASP CB C 40.5 . 1 272 . 27 ASP HB2 H 2.70 . 2 273 . 27 ASP HB3 H 2.49 . 2 274 . 28 PRO C C 175.0 . 1 275 . 28 PRO CA C 62.5 . 1 276 . 28 PRO HA H 4.72 . 1 277 . 28 PRO CB C 32.1 . 1 278 . 28 PRO HB2 H 2.06 . 2 279 . 28 PRO HB3 H 1.65 . 2 280 . 28 PRO CG C 26.8 . 1 281 . 28 PRO HG2 H 1.98 . 2 282 . 28 PRO HG3 H 1.90 . 2 283 . 28 PRO CD C 50.1 . 1 284 . 28 PRO HD2 H 3.88 . 2 285 . 28 PRO HD3 H 3.65 . 2 286 . 29 LYS N N 117.0 . 1 287 . 29 LYS H H 9.32 . 1 288 . 29 LYS C C 175.0 . 1 289 . 29 LYS CA C 53.3 . 1 290 . 29 LYS HA H 5.13 . 1 291 . 29 LYS CB C 37.4 . 1 292 . 29 LYS HB2 H 1.73 . 2 293 . 29 LYS HB3 H 1.35 . 2 294 . 29 LYS CG C 24.4 . 1 295 . 29 LYS HG2 H 1.48 . 1 296 . 29 LYS HG3 H 1.48 . 1 297 . 29 LYS CD C 28.6 . 1 298 . 29 LYS HD2 H 1.61 . 1 299 . 29 LYS HD3 H 1.61 . 1 300 . 29 LYS CE C 42.3 . 1 301 . 29 LYS HE2 H 2.89 . 1 302 . 29 LYS HE3 H 2.89 . 1 303 . 30 ARG N N 115.0 . 1 304 . 30 ARG H H 8.80 . 1 305 . 30 ARG C C 174.7 . 1 306 . 30 ARG CA C 54.0 . 1 307 . 30 ARG HA H 4.86 . 1 308 . 30 ARG CB C 33.3 . 1 309 . 30 ARG HB2 H 1.85 . 2 310 . 30 ARG HB3 H 1.46 . 2 311 . 30 ARG CG C 27.6 . 1 312 . 30 ARG HG2 H 1.37 . 1 313 . 30 ARG HG3 H 1.37 . 1 314 . 30 ARG CD C 43.2 . 1 315 . 30 ARG HD2 H 2.46 . 1 316 . 30 ARG HD3 H 2.46 . 1 317 . 31 LEU N N 122.9 . 1 318 . 31 LEU H H 10.35 . 1 319 . 31 LEU C C 173.9 . 1 320 . 31 LEU CA C 53.8 . 1 321 . 31 LEU HA H 4.89 . 1 322 . 31 LEU CB C 43.0 . 1 323 . 31 LEU HB2 H 1.58 . 2 324 . 31 LEU HB3 H 1.33 . 2 325 . 31 LEU HD1 H 0.21 . 2 326 . 31 LEU HD2 H 0.57 . 2 327 . 31 LEU CD1 C 23.9 . 2 328 . 31 LEU CD2 C 22.7 . 2 329 . 32 TYR N N 124.6 . 1 330 . 32 TYR H H 8.60 . 1 331 . 32 TYR C C 173.2 . 1 332 . 32 TYR CA C 56.6 . 1 333 . 32 TYR HA H 4.28 . 1 334 . 32 TYR CB C 39.9 . 1 335 . 32 TYR HB2 H 3.28 . 2 336 . 32 TYR HB3 H 2.86 . 2 337 . 32 TYR HD1 H 6.30 . 1 338 . 32 TYR HD2 H 6.30 . 1 339 . 32 TYR CD1 C 133.0 . 1 340 . 32 TYR CD2 C 133.0 . 1 341 . 32 TYR CE1 C 117.3 . 1 342 . 32 TYR CE2 C 117.3 . 1 343 . 32 TYR HE1 H 6.47 . 1 344 . 32 TYR HE2 H 6.47 . 1 345 . 33 CYS N N 128.0 . 1 346 . 33 CYS H H 9.32 . 1 347 . 33 CYS C C 174.2 . 1 348 . 33 CYS CA C 57.4 . 1 349 . 33 CYS HA H 4.35 . 1 350 . 33 CYS CB C 29.2 . 1 351 . 33 CYS HB2 H 2.65 . 2 352 . 33 CYS HB3 H 2.30 . 2 353 . 34 LYS N N 126.4 . 1 354 . 34 LYS H H 8.35 . 1 355 . 34 LYS C C 176.2 . 1 356 . 34 LYS CA C 57.5 . 1 357 . 34 LYS HA H 3.70 . 1 358 . 34 LYS CB C 33.7 . 1 359 . 34 LYS HB2 H 1.67 . 2 360 . 34 LYS HB3 H 1.40 . 2 361 . 34 LYS CG C 25.3 . 1 362 . 34 LYS HG2 H 1.31 . 2 363 . 34 LYS HG3 H 1.21 . 2 364 . 34 LYS CD C 29.0 . 1 365 . 34 LYS HD2 H 1.19 . 2 366 . 34 LYS HD3 H 0.90 . 2 367 . 34 LYS CE C 41.4 . 1 368 . 34 LYS HE2 H 2.60 . 1 369 . 34 LYS HE3 H 2.60 . 1 370 . 35 ASN N N 116.1 . 1 371 . 35 ASN H H 7.69 . 1 372 . 35 ASN C C 172.1 . 1 373 . 35 ASN CA C 50.8 . 1 374 . 35 ASN HA H 4.49 . 1 375 . 35 ASN CB C 36.9 . 1 376 . 35 ASN HB2 H 3.19 . 2 377 . 35 ASN HB3 H 1.91 . 2 378 . 36 GLY N N 106.1 . 1 379 . 36 GLY H H 7.65 . 1 380 . 36 GLY C C 174.3 . 1 381 . 36 GLY CA C 44.4 . 1 382 . 36 GLY HA2 H 4.21 . 2 383 . 36 GLY HA3 H 3.45 . 2 384 . 37 GLY N N 106.0 . 1 385 . 37 GLY H H 7.02 . 1 386 . 37 GLY C C 172.4 . 1 387 . 37 GLY CA C 46.2 . 1 388 . 37 GLY HA2 H 3.31 . 2 389 . 37 GLY HA3 H 2.78 . 2 390 . 38 PHE N N 110.7 . 1 391 . 38 PHE H H 5.82 . 1 392 . 38 PHE C C 174.2 . 1 393 . 38 PHE CA C 56.6 . 1 394 . 38 PHE HA H 3.89 . 1 395 . 38 PHE CB C 42.1 . 1 396 . 38 PHE HB2 H 2.54 . 2 397 . 38 PHE HB3 H 2.27 . 2 398 . 38 PHE HD1 H 6.77 . 1 399 . 38 PHE HD2 H 6.77 . 1 400 . 38 PHE CD1 C 130.4 . 1 401 . 38 PHE CD2 C 130.4 . 1 402 . 38 PHE CE1 C 131.6 . 1 403 . 38 PHE CE2 C 131.6 . 1 404 . 38 PHE HE1 H 7.23 . 1 405 . 38 PHE HE2 H 7.23 . 1 406 . 38 PHE HZ H 7.00 . 1 407 . 38 PHE CZ C 129.7 . 1 408 . 39 PHE N N 118.3 . 1 409 . 39 PHE H H 9.33 . 1 410 . 39 PHE C C 176.2 . 1 411 . 39 PHE CA C 56.6 . 1 412 . 39 PHE HA H 5.52 . 1 413 . 39 PHE CB C 40.0 . 1 414 . 39 PHE HB2 H 3.29 . 2 415 . 39 PHE HB3 H 2.92 . 2 416 . 39 PHE HD1 H 7.19 . 1 417 . 39 PHE HD2 H 7.19 . 1 418 . 39 PHE CD1 C 131.7 . 1 419 . 39 PHE CD2 C 131.7 . 1 420 . 39 PHE CE1 C 131.2 . 1 421 . 39 PHE CE2 C 131.2 . 1 422 . 39 PHE HE1 H 7.40 . 1 423 . 39 PHE HE2 H 7.40 . 1 424 . 39 PHE HZ H 7.40 . 1 425 . 40 LEU N N 121.2 . 1 426 . 40 LEU H H 8.34 . 1 427 . 40 LEU C C 173.6 . 1 428 . 40 LEU CA C 56.3 . 1 429 . 40 LEU HA H 4.32 . 1 430 . 40 LEU CB C 43.1 . 1 431 . 40 LEU HB2 H 1.83 . 2 432 . 40 LEU HB3 H 1.27 . 2 433 . 40 LEU CG C 26.9 . 1 434 . 40 LEU HG H 1.38 . 1 435 . 40 LEU HD1 H 0.62 . 2 436 . 40 LEU HD2 H 0.35 . 2 437 . 40 LEU CD1 C 23.4 . 2 438 . 40 LEU CD2 C 25.2 . 2 439 . 41 ARG N N 126.4 . 1 440 . 41 ARG H H 9.60 . 1 441 . 41 ARG C C 173.0 . 1 442 . 41 ARG CA C 55.3 . 1 443 . 41 ARG HA H 4.49 . 1 444 . 41 ARG CB C 33.1 . 1 445 . 41 ARG HB2 H 2.52 . 2 446 . 41 ARG HB3 H 1.06 . 2 447 . 41 ARG CG C 25.5 . 1 448 . 41 ARG CD C 44.8 . 1 449 . 41 ARG HD2 H 3.00 . 2 450 . 41 ARG HD3 H 2.69 . 2 451 . 42 ILE N N 120.9 . 1 452 . 42 ILE H H 7.43 . 1 453 . 42 ILE C C 174.1 . 1 454 . 42 ILE CA C 59.8 . 1 455 . 42 ILE HA H 4.31 . 1 456 . 42 ILE CB C 39.4 . 1 457 . 42 ILE HB H 1.40 . 1 458 . 42 ILE HG2 H 0.46 . 1 459 . 42 ILE CG1 C 26.9 . 1 460 . 42 ILE HG12 H 0.78 . 1 461 . 42 ILE HG13 H 0.78 . 1 462 . 42 ILE CG2 C 16.8 . 1 463 . 42 ILE HD1 H 0.58 . 1 464 . 42 ILE CD1 C 13.5 . 1 465 . 43 HIS N N 122.7 . 1 466 . 43 HIS H H 8.75 . 1 467 . 43 HIS C C 175.5 . 1 468 . 43 HIS CA C 54.8 . 1 469 . 43 HIS HA H 4.13 . 1 470 . 43 HIS CB C 31.5 . 1 471 . 43 HIS HB2 H 3.10 . 2 472 . 43 HIS HB3 H 2.91 . 2 473 . 43 HIS HD2 H 6.50 . 1 474 . 43 HIS CD2 C 117.7 . 1 475 . 43 HIS CE1 C 136.0 . 1 476 . 43 HIS HE1 H 7.68 . 1 477 . 44 PRO C C 175.4 . 1 478 . 44 PRO CA C 64.5 . 1 479 . 44 PRO HA H 4.12 . 1 480 . 44 PRO CB C 31.5 . 1 481 . 44 PRO HB2 H 2.37 . 2 482 . 44 PRO HB3 H 2.00 . 2 483 . 44 PRO CG C 27.6 . 1 484 . 44 PRO HG2 H 2.02 . 2 485 . 44 PRO HG3 H 1.74 . 2 486 . 44 PRO CD C 49.6 . 1 487 . 44 PRO HD2 H 3.29 . 2 488 . 44 PRO HD3 H 2.72 . 2 489 . 45 ASP N N 112.1 . 1 490 . 45 ASP H H 7.89 . 1 491 . 45 ASP C C 177.1 . 1 492 . 45 ASP CA C 52.8 . 1 493 . 45 ASP HA H 4.48 . 1 494 . 45 ASP CB C 39.9 . 1 495 . 45 ASP HB2 H 2.98 . 2 496 . 45 ASP HB3 H 2.51 . 2 497 . 46 GLY N N 105.2 . 1 498 . 46 GLY H H 7.93 . 1 499 . 46 GLY C C 173.2 . 1 500 . 46 GLY CA C 45.1 . 1 501 . 46 GLY HA2 H 4.55 . 2 502 . 46 GLY HA3 H 3.61 . 2 503 . 47 ARG N N 117.5 . 1 504 . 47 ARG H H 7.70 . 1 505 . 47 ARG C C 174.7 . 1 506 . 47 ARG CA C 57.0 . 1 507 . 47 ARG HA H 4.37 . 1 508 . 47 ARG CB C 31.1 . 1 509 . 47 ARG HB2 H 1.58 . 2 510 . 47 ARG HB3 H 1.40 . 2 511 . 47 ARG CG C 28.0 . 1 512 . 47 ARG HG2 H 1.50 . 1 513 . 47 ARG HG3 H 1.50 . 1 514 . 47 ARG CD C 42.9 . 1 515 . 47 ARG HD2 H 3.08 . 2 516 . 47 ARG HD3 H 2.90 . 2 517 . 48 VAL N N 118.9 . 1 518 . 48 VAL H H 8.24 . 1 519 . 48 VAL C C 174.2 . 1 520 . 48 VAL CA C 60.5 . 1 521 . 48 VAL HA H 4.99 . 1 522 . 48 VAL CB C 34.5 . 1 523 . 48 VAL HB H 1.57 . 1 524 . 48 VAL HG1 H 0.82 . 2 525 . 48 VAL HG2 H 0.73 . 2 526 . 48 VAL CG1 C 20.9 . 1 527 . 48 VAL CG2 C 20.9 . 1 528 . 49 ASP N N 126.5 . 1 529 . 49 ASP H H 9.06 . 1 530 . 49 ASP C C 171.8 . 1 531 . 49 ASP CA C 53.1 . 1 532 . 49 ASP HA H 4.29 . 1 533 . 49 ASP CB C 40.3 . 1 534 . 49 ASP HB2 H 3.13 . 2 535 . 49 ASP HB3 H 3.00 . 2 536 . 50 GLY N N 101.5 . 1 537 . 50 GLY H H 8.09 . 1 538 . 50 GLY C C 171.7 . 1 539 . 50 GLY CA C 44.1 . 1 540 . 50 GLY HA2 H 5.57 . 2 541 . 50 GLY HA3 H 3.01 . 2 542 . 51 VAL N N 113.5 . 1 543 . 51 VAL H H 8.85 . 1 544 . 51 VAL C C 174.3 . 1 545 . 51 VAL CA C 59.8 . 1 546 . 51 VAL HA H 4.96 . 1 547 . 51 VAL CB C 36.0 . 1 548 . 51 VAL HB H 2.08 . 1 549 . 51 VAL HG1 H 1.24 . 2 550 . 51 VAL HG2 H 1.00 . 2 551 . 51 VAL CG1 C 21.5 . 2 552 . 51 VAL CG2 C 21.1 . 2 553 . 52 ARG N N 122.9 . 1 554 . 52 ARG H H 9.28 . 1 555 . 52 ARG C C 175.8 . 1 556 . 52 ARG CA C 57.6 . 1 557 . 52 ARG HA H 4.48 . 1 558 . 52 ARG CB C 29.9 . 1 559 . 52 ARG HB2 H 1.85 . 2 560 . 52 ARG HB3 H 1.62 . 2 561 . 52 ARG CG C 28.3 . 1 562 . 52 ARG HG2 H 1.26 . 2 563 . 52 ARG HG3 H 0.94 . 2 564 . 52 ARG CD C 42.7 . 1 565 . 52 ARG HD2 H 2.86 . 2 566 . 52 ARG HD3 H 2.79 . 2 567 . 53 GLU N N 117.1 . 1 568 . 53 GLU H H 7.05 . 1 569 . 53 GLU C C 174.9 . 1 570 . 53 GLU CA C 56.3 . 1 571 . 53 GLU HA H 4.31 . 1 572 . 53 GLU CB C 29.6 . 1 573 . 53 GLU HB2 H 2.11 . 2 574 . 53 GLU HB3 H 2.04 . 2 575 . 53 GLU CG C 36.1 . 1 576 . 53 GLU HG2 H 2.43 . 1 577 . 53 GLU HG3 H 2.43 . 1 578 . 54 LYS N N 122.6 . 1 579 . 54 LYS H H 8.43 . 1 580 . 54 LYS C C 175.6 . 1 581 . 54 LYS CA C 57.6 . 1 582 . 54 LYS HA H 3.49 . 1 583 . 54 LYS CB C 32.1 . 1 584 . 54 LYS HB2 H 1.62 . 2 585 . 54 LYS HB3 H 1.71 . 2 586 . 54 LYS CG C 24.3 . 1 587 . 54 LYS HG2 H 1.20 . 1 588 . 54 LYS HG3 H 1.20 . 1 589 . 54 LYS CD C 29.3 . 1 590 . 54 LYS HD2 H 1.36 . 1 591 . 54 LYS HD3 H 1.36 . 1 592 . 54 LYS CE C 41.5 . 1 593 . 54 LYS HE2 H 2.92 . 1 594 . 54 LYS HE3 H 2.92 . 1 595 . 55 SER N N 109.9 . 1 596 . 55 SER H H 8.11 . 1 597 . 55 SER C C 173.7 . 1 598 . 55 SER CA C 57.5 . 1 599 . 55 SER HA H 4.23 . 1 600 . 55 SER CB C 63.1 . 1 601 . 55 SER HB2 H 3.96 . 2 602 . 55 SER HB3 H 3.71 . 2 603 . 56 ASP N N 123.4 . 1 604 . 56 ASP H H 7.01 . 1 605 . 56 ASP C C 177.1 . 1 606 . 56 ASP CA C 52.6 . 1 607 . 56 ASP HA H 4.49 . 1 608 . 56 ASP CB C 42.9 . 1 609 . 56 ASP HB2 H 2.65 . 2 610 . 56 ASP HB3 H 2.54 . 2 611 . 57 PRO C C 178.7 . 1 612 . 57 PRO CA C 64.0 . 1 613 . 57 PRO HA H 4.19 . 1 614 . 57 PRO CB C 31.7 . 1 615 . 57 PRO HB2 H 2.13 . 2 616 . 57 PRO HB3 H 1.32 . 2 617 . 57 PRO HG2 H 1.82 . 2 618 . 57 PRO HG3 H 1.28 . 2 619 . 57 PRO CD C 50.1 . 1 620 . 57 PRO CG C 26.2 . 1 621 . 57 PRO HD2 H 3.75 . 2 622 . 57 PRO HD3 H 3.55 . 2 623 . 58 HIS N N 116.0 . 1 624 . 58 HIS H H 9.45 . 1 625 . 58 HIS C C 173.3 . 1 626 . 58 HIS CA C 58.4 . 1 627 . 58 HIS HA H 4.65 . 1 628 . 58 HIS CB C 28.1 . 1 629 . 58 HIS HB2 H 3.61 . 2 630 . 58 HIS HB3 H 2.59 . 2 631 . 58 HIS HD2 H 6.85 . 1 632 . 58 HIS CD2 C 119.0 . 1 633 . 58 HIS CE1 C 137.1 . 1 634 . 58 HIS HE1 H 7.79 . 1 635 . 59 ILE N N 105.4 . 1 636 . 59 ILE H H 6.75 . 1 637 . 59 ILE C C 174.7 . 1 638 . 59 ILE CA C 59.7 . 1 639 . 59 ILE HA H 5.09 . 1 640 . 59 ILE CB C 37.2 . 1 641 . 59 ILE HB H 2.36 . 1 642 . 59 ILE HG2 H 0.68 . 1 643 . 59 ILE CG1 C 23.8 . 1 644 . 59 ILE HG12 H 1.70 . 2 645 . 59 ILE HG13 H 0.76 . 2 646 . 59 ILE CG2 C 16.6 . 1 647 . 59 ILE HD1 H 0.32 . 1 648 . 59 ILE CD1 C 14.9 . 1 649 . 60 LYS N N 117.9 . 1 650 . 60 LYS H H 6.55 . 1 651 . 60 LYS C C 174.7 . 1 652 . 60 LYS CA C 56.8 . 1 653 . 60 LYS HA H 4.18 . 1 654 . 60 LYS CB C 32.0 . 1 655 . 60 LYS HB2 H 1.76 . 2 656 . 60 LYS HB3 H 1.56 . 2 657 . 60 LYS CG C 25.6 . 1 658 . 60 LYS HG2 H 1.05 . 1 659 . 60 LYS HG3 H 1.05 . 1 660 . 60 LYS CD C 29.2 . 1 661 . 60 LYS HD2 H 1.26 . 1 662 . 60 LYS HD3 H 1.26 . 1 663 . 60 LYS CE C 41.7 . 1 664 . 60 LYS HE2 H 2.83 . 1 665 . 60 LYS HE3 H 2.83 . 1 666 . 61 LEU N N 127.5 . 1 667 . 61 LEU H H 9.68 . 1 668 . 61 LEU C C 174.9 . 1 669 . 61 LEU CA C 53.0 . 1 670 . 61 LEU HA H 5.38 . 1 671 . 61 LEU CB C 44.1 . 1 672 . 61 LEU HB2 H 1.45 . 2 673 . 61 LEU HB3 H 1.02 . 2 674 . 61 LEU CG C 25.8 . 1 675 . 61 LEU HG H 2.02 . 1 676 . 61 LEU HD1 H 0.67 . 2 677 . 61 LEU HD2 H 0.55 . 2 678 . 61 LEU CD1 C 26.5 . 2 679 . 61 LEU CD2 C 21.8 . 2 680 . 62 GLN N N 117.9 . 1 681 . 62 GLN H H 9.37 . 1 682 . 62 GLN C C 174.5 . 1 683 . 62 GLN CA C 53.8 . 1 684 . 62 GLN HA H 4.57 . 1 685 . 62 GLN CB C 31.2 . 1 686 . 62 GLN HB2 H 1.82 . 2 687 . 62 GLN HB3 H 1.67 . 2 688 . 62 GLN CG C 33.4 . 1 689 . 62 GLN HG2 H 2.06 . 1 690 . 62 GLN HG3 H 2.06 . 1 691 . 62 GLN HE21 H 7.46 . 2 692 . 62 GLN HE22 H 6.52 . 2 693 . 62 GLN NE2 N 110.1 . 1 694 . 63 LEU N N 129.7 . 1 695 . 63 LEU H H 9.12 . 1 696 . 63 LEU C C 175.7 . 1 697 . 63 LEU CA C 54.5 . 1 698 . 63 LEU HA H 5.23 . 1 699 . 63 LEU CB C 41.9 . 1 700 . 63 LEU HB2 H 1.63 . 2 701 . 63 LEU HB3 H 1.44 . 2 702 . 63 LEU CG C 29.6 . 1 703 . 63 LEU HG H 1.57 . 1 704 . 63 LEU HD1 H 0.77 . 2 705 . 63 LEU HD2 H 0.65 . 2 706 . 63 LEU CD1 C 26.0 . 2 707 . 63 LEU CD2 C 24.4 . 2 708 . 64 GLN N N 119.2 . 1 709 . 64 GLN H H 8.31 . 1 710 . 64 GLN C C 174.1 . 1 711 . 64 GLN CA C 54.3 . 1 712 . 64 GLN HA H 4.53 . 1 713 . 64 GLN CB C 31.3 . 1 714 . 64 GLN HB2 H 1.98 . 1 715 . 64 GLN HB3 H 1.98 . 1 716 . 64 GLN CG C 33.9 . 1 717 . 64 GLN HG2 H 2.18 . 1 718 . 64 GLN HG3 H 2.18 . 1 719 . 64 GLN HE21 H 7.73 . 2 720 . 64 GLN HE22 H 6.71 . 2 721 . 64 GLN NE2 N 110.0 . 1 722 . 65 ALA N N 126.2 . 1 723 . 65 ALA H H 8.45 . 1 724 . 65 ALA C C 177.1 . 1 725 . 65 ALA CA C 51.8 . 1 726 . 65 ALA HA H 4.70 . 1 727 . 65 ALA CB C 18.6 . 1 728 . 65 ALA HB H 1.09 . 1 729 . 66 GLU N N 124.5 . 1 730 . 66 GLU H H 8.40 . 1 731 . 66 GLU C C 175.7 . 1 732 . 66 GLU CA C 56.0 . 1 733 . 66 GLU HA H 4.42 . 1 734 . 66 GLU CB C 29.4 . 1 735 . 66 GLU HB2 H 1.82 . 2 736 . 66 GLU HB3 H 1.59 . 2 737 . 66 GLU CG C 34.0 . 1 738 . 66 GLU HG2 H 2.05 . 1 739 . 66 GLU HG3 H 2.05 . 1 740 . 67 GLU N N 117.3 . 1 741 . 67 GLU H H 8.53 . 1 742 . 67 GLU C C 174.6 . 1 743 . 67 GLU CA C 55.0 . 1 744 . 67 GLU HA H 4.25 . 1 745 . 67 GLU CB C 30.9 . 1 746 . 67 GLU HB2 H 2.07 . 2 747 . 67 GLU HB3 H 1.73 . 2 748 . 67 GLU CG C 36.0 . 1 749 . 67 GLU HG2 H 2.06 . 1 750 . 67 GLU HG3 H 2.06 . 1 751 . 68 ARG N N 118.1 . 1 752 . 68 ARG H H 8.59 . 1 753 . 68 ARG C C 177.6 . 1 754 . 68 ARG CA C 58.3 . 1 755 . 68 ARG HA H 4.08 . 1 756 . 68 ARG CB C 28.9 . 1 757 . 68 ARG HB2 H 1.80 . 1 758 . 68 ARG HB3 H 1.80 . 1 759 . 68 ARG CG C 26.5 . 1 760 . 68 ARG HG2 H 1.64 . 1 761 . 68 ARG HG3 H 1.64 . 1 762 . 68 ARG CD C 43.0 . 1 763 . 68 ARG HD2 H 3.19 . 1 764 . 68 ARG HD3 H 3.19 . 1 765 . 69 GLY N N 112.1 . 1 766 . 69 GLY H H 8.74 . 1 767 . 69 GLY C C 173.1 . 1 768 . 69 GLY CA C 45.8 . 1 769 . 69 GLY HA2 H 4.36 . 2 770 . 69 GLY HA3 H 4.10 . 2 771 . 70 VAL N N 119.6 . 1 772 . 70 VAL H H 8.32 . 1 773 . 70 VAL C C 175.5 . 1 774 . 70 VAL CA C 60.6 . 1 775 . 70 VAL HA H 5.09 . 1 776 . 70 VAL CB C 33.6 . 1 777 . 70 VAL HB H 1.77 . 1 778 . 70 VAL HG1 H 0.67 . 2 779 . 70 VAL HG2 H 0.68 . 2 780 . 70 VAL CG1 C 22.3 . 2 781 . 70 VAL CG2 C 21.5 . 2 782 . 71 VAL N N 117.5 . 1 783 . 71 VAL H H 9.71 . 1 784 . 71 VAL C C 175.3 . 1 785 . 71 VAL CA C 58.2 . 1 786 . 71 VAL HA H 5.83 . 1 787 . 71 VAL CB C 35.6 . 1 788 . 71 VAL HB H 2.36 . 1 789 . 71 VAL HG1 H 1.00 . 1 790 . 71 VAL HG2 H 1.00 . 1 791 . 71 VAL CG1 C 21.7 . 2 792 . 71 VAL CG2 C 18.7 . 2 793 . 72 SER N N 112.3 . 1 794 . 72 SER H H 8.73 . 1 795 . 72 SER C C 173.3 . 1 796 . 72 SER CA C 56.6 . 1 797 . 72 SER HA H 5.14 . 1 798 . 72 SER CB C 66.1 . 1 799 . 72 SER HB2 H 3.96 . 2 800 . 72 SER HB3 H 3.55 . 2 801 . 73 ILE N N 120.4 . 1 802 . 73 ILE H H 10.47 . 1 803 . 73 ILE C C 172.2 . 1 804 . 73 ILE CA C 61.4 . 1 805 . 73 ILE HA H 4.30 . 1 806 . 73 ILE CB C 40.2 . 1 807 . 73 ILE HB H 1.50 . 1 808 . 73 ILE CG1 C 26.9 . 1 809 . 73 ILE HG12 H 1.28 . 2 810 . 73 ILE HG13 H 0.48 . 2 811 . 73 ILE HG2 H 0.37 . 1 812 . 73 ILE CG2 C 18.0 . 1 813 . 73 ILE HD1 H -.19 . 1 814 . 73 ILE CD1 C 11.7 . 1 815 . 74 LYS N N 125.2 . 1 816 . 74 LYS H H 8.76 . 1 817 . 74 LYS C C 177.0 . 1 818 . 74 LYS CA C 53.4 . 1 819 . 74 LYS HA H 4.58 . 1 820 . 74 LYS CB C 35.8 . 1 821 . 74 LYS HB2 H 1.59 . 2 822 . 74 LYS HB3 H 1.48 . 2 823 . 74 LYS CG C 24.6 . 1 824 . 74 LYS HG2 H 0.57 . 2 825 . 74 LYS HG3 H -.11 . 2 826 . 74 LYS CD C 29.1 . 1 827 . 74 LYS HD2 H 1.25 . 1 828 . 74 LYS HD3 H 1.25 . 1 829 . 74 LYS CE C 42.0 . 1 830 . 74 LYS HE2 H 2.58 . 2 831 . 74 LYS HE3 H 2.38 . 2 832 . 75 GLY N N 111.7 . 1 833 . 75 GLY H H 9.17 . 1 834 . 75 GLY C C 173.9 . 1 835 . 75 GLY CA C 46.5 . 1 836 . 75 GLY HA2 H 4.20 . 2 837 . 75 GLY HA3 H 3.34 . 2 838 . 76 VAL N N 125.8 . 1 839 . 76 VAL H H 7.89 . 1 840 . 76 VAL C C 177.7 . 1 841 . 76 VAL CA C 66.8 . 1 842 . 76 VAL HA H 3.29 . 1 843 . 76 VAL CB C 31.4 . 1 844 . 76 VAL HB H 1.78 . 1 845 . 76 VAL HG1 H 0.53 . 2 846 . 76 VAL HG2 H 0.82 . 2 847 . 76 VAL CG1 C 22.1 . 2 848 . 76 VAL CG2 C 20.5 . 2 849 . 77 SER N N 113.4 . 1 850 . 77 SER H H 9.32 . 1 851 . 77 SER C C 176.3 . 1 852 . 77 SER CA C 60.9 . 1 853 . 77 SER HA H 4.18 . 1 854 . 77 SER CB C 61.8 . 1 855 . 77 SER HB2 H 3.71 . 1 856 . 77 SER HB3 H 3.71 . 1 857 . 78 ALA N N 117.6 . 1 858 . 78 ALA H H 8.59 . 1 859 . 78 ALA C C 176.3 . 1 860 . 78 ALA CA C 52.8 . 1 861 . 78 ALA HA H 3.85 . 1 862 . 78 ALA CB C 19.0 . 1 863 . 78 ALA HB H 0.97 . 1 864 . 79 ASN N N 113.1 . 1 865 . 79 ASN H H 8.11 . 1 866 . 79 ASN C C 173.8 . 1 867 . 79 ASN CA C 52.9 . 1 868 . 79 ASN HA H 3.98 . 1 869 . 79 ASN CB C 36.9 . 1 870 . 79 ASN HB2 H 3.27 . 2 871 . 79 ASN HB3 H 2.37 . 2 872 . 79 ASN HD21 H 7.43 . 2 873 . 79 ASN HD22 H 6.69 . 2 874 . 79 ASN ND2 N 108.2 . 1 875 . 80 ARG N N 109.9 . 1 876 . 80 ARG H H 6.63 . 1 877 . 80 ARG C C 172.9 . 1 878 . 80 ARG CA C 53.3 . 1 879 . 80 ARG HA H 4.66 . 1 880 . 80 ARG CB C 37.6 . 1 881 . 80 ARG HB2 H 1.26 . 2 882 . 80 ARG HB3 H 0.78 . 2 883 . 80 ARG CG C 28.3 . 1 884 . 80 ARG HG2 H 1.65 . 2 885 . 80 ARG HG3 H 1.15 . 2 886 . 80 ARG CD C 43.0 . 1 887 . 80 ARG HD2 H 2.80 . 1 888 . 80 ARG HD3 H 2.80 . 1 889 . 81 TYR N N 118.2 . 1 890 . 81 TYR H H 9.49 . 1 891 . 81 TYR C C 175.3 . 1 892 . 81 TYR CA C 56.9 . 1 893 . 81 TYR HA H 4.87 . 1 894 . 81 TYR CB C 40.2 . 1 895 . 81 TYR HB2 H 3.05 . 2 896 . 81 TYR HB3 H 2.65 . 2 897 . 81 TYR HD1 H 6.83 . 1 898 . 81 TYR HD2 H 6.83 . 1 899 . 81 TYR CD1 C 132.8 . 1 900 . 81 TYR CD2 C 132.8 . 1 901 . 81 TYR CE1 C 117.7 . 1 902 . 81 TYR CE2 C 117.7 . 1 903 . 81 TYR HE1 H 6.69 . 1 904 . 81 TYR HE2 H 6.69 . 1 905 . 82 LEU N N 122.0 . 1 906 . 82 LEU H H 9.08 . 1 907 . 82 LEU C C 173.8 . 1 908 . 82 LEU CA C 55.9 . 1 909 . 82 LEU HA H 4.04 . 1 910 . 82 LEU CB C 42.8 . 1 911 . 82 LEU HB2 H 1.90 . 2 912 . 82 LEU HB3 H 1.05 . 2 913 . 82 LEU HD1 H 0.31 . 2 914 . 82 LEU HD2 H 0.78 . 2 915 . 82 LEU CD1 C 26.7 . 2 916 . 82 LEU CD2 C 25.5 . 2 917 . 83 ALA N N 125.1 . 1 918 . 83 ALA H H 9.01 . 1 919 . 83 ALA C C 174.7 . 1 920 . 83 ALA CA C 50.1 . 1 921 . 83 ALA HA H 5.11 . 1 922 . 83 ALA CB C 22.3 . 1 923 . 83 ALA HB H 1.20 . 1 924 . 84 MET N N 116.9 . 1 925 . 84 MET H H 7.63 . 1 926 . 84 MET C C 174.6 . 1 927 . 84 MET CA C 53.3 . 1 928 . 84 MET HA H 5.36 . 1 929 . 84 MET CB C 35.4 . 1 930 . 84 MET HB2 H 2.43 . 2 931 . 84 MET HB3 H 2.07 . 2 932 . 84 MET CG C 30.5 . 1 933 . 84 MET HG2 H 3.02 . 2 934 . 84 MET HG3 H 2.61 . 2 935 . 84 MET CE C 15.7 . 1 936 . 84 MET HE H 2.13 . 1 937 . 85 LYS N N 119.6 . 1 938 . 85 LYS H H 8.40 . 1 939 . 85 LYS C C 175.8 . 1 940 . 85 LYS CA C 52.8 . 1 941 . 85 LYS HA H 4.79 . 1 942 . 85 LYS CB C 31.5 . 1 943 . 85 LYS HB2 H 2.09 . 2 944 . 85 LYS HB3 H 1.93 . 2 945 . 85 LYS CG C 23.3 . 1 946 . 85 LYS HG2 H 1.27 . 2 947 . 85 LYS HG3 H 1.47 . 2 948 . 85 LYS CD C 24.9 . 1 949 . 85 LYS HD2 H 1.56 . 1 950 . 85 LYS HD3 H 1.56 . 1 951 . 85 LYS CE C 40.3 . 1 952 . 85 LYS HE2 H 3.31 . 2 953 . 85 LYS HE3 H 2.77 . 2 954 . 86 GLU N N 115.7 . 1 955 . 86 GLU H H 8.66 . 1 956 . 86 GLU C C 175.0 . 1 957 . 86 GLU CA C 58.1 . 1 958 . 86 GLU CB C 28.6 . 1 959 . 86 GLU HB2 H 1.25 . 1 960 . 86 GLU HB3 H 1.25 . 1 961 . 86 GLU CG C 34.9 . 1 962 . 86 GLU HG2 H 2.20 . 1 963 . 86 GLU HG3 H 2.20 . 1 964 . 87 ASP N N 114.1 . 1 965 . 87 ASP H H 7.81 . 1 966 . 87 ASP C C 176.6 . 1 967 . 87 ASP CA C 51.9 . 1 968 . 87 ASP HA H 4.57 . 1 969 . 87 ASP CB C 39.9 . 1 970 . 87 ASP HB2 H 2.99 . 2 971 . 87 ASP HB3 H 2.54 . 2 972 . 88 GLY N N 106.9 . 1 973 . 88 GLY H H 8.53 . 1 974 . 88 GLY C C 173.6 . 1 975 . 88 GLY CA C 44.2 . 1 976 . 88 GLY HA2 H 3.62 . 2 977 . 88 GLY HA3 H 3.39 . 2 978 . 89 ARG N N 116.4 . 1 979 . 89 ARG H H 7.41 . 1 980 . 89 ARG C C 173.7 . 1 981 . 89 ARG CA C 56.6 . 1 982 . 89 ARG HA H 3.98 . 1 983 . 89 ARG CB C 30.5 . 1 984 . 89 ARG HB2 H 1.68 . 2 985 . 89 ARG HB3 H 1.39 . 2 986 . 89 ARG CG C 27.1 . 1 987 . 89 ARG HG2 H 1.70 . 1 988 . 89 ARG HG3 H 1.70 . 1 989 . 89 ARG CD C 43.2 . 1 990 . 89 ARG HD2 H 3.28 . 2 991 . 89 ARG HD3 H 3.08 . 2 992 . 90 LEU C C 174.9 . 1 993 . 90 LEU CA C 52.3 . 1 994 . 90 LEU HA H 5.23 . 1 995 . 90 LEU CB C 43.0 . 1 996 . 90 LEU HB2 H 0.92 . 1 997 . 90 LEU HB3 H 0.92 . 1 998 . 90 LEU HG H 1.48 . 1 999 . 90 LEU HD1 H 0.93 . 2 1000 . 90 LEU HD2 H 0.91 . 2 1001 . 90 LEU CD1 C 25.9 . 2 1002 . 90 LEU CD2 C 23.1 . 2 1003 . 91 LEU N N 118.7 . 1 1004 . 91 LEU H H 8.64 . 1 1005 . 91 LEU C C 173.4 . 1 1006 . 91 LEU CA C 54.0 . 1 1007 . 91 LEU HA H 4.49 . 1 1008 . 91 LEU CB C 44.5 . 1 1009 . 91 LEU HB2 H 1.71 . 2 1010 . 91 LEU HB3 H 1.42 . 2 1011 . 91 LEU HG H 1.40 . 1 1012 . 91 LEU HD1 H 0.78 . 1 1013 . 91 LEU HD2 H 0.78 . 1 1014 . 91 LEU CD1 C 25.6 . 2 1015 . 91 LEU CD2 C 23.9 . 2 1016 . 92 ALA N N 120.6 . 1 1017 . 92 ALA H H 8.76 . 1 1018 . 92 ALA C C 176.4 . 1 1019 . 92 ALA CA C 49.8 . 1 1020 . 92 ALA HA H 5.31 . 1 1021 . 92 ALA CB C 21.9 . 1 1022 . 92 ALA HB H 0.93 . 1 1023 . 93 SER N N 119.3 . 1 1024 . 93 SER H H 9.74 . 1 1025 . 93 SER C C 175.1 . 1 1026 . 93 SER CA C 56.0 . 1 1027 . 93 SER HA H 4.67 . 1 1028 . 93 SER CB C 65.3 . 1 1029 . 93 SER HB2 H 3.79 . 1 1030 . 93 SER HB3 H 3.79 . 1 1031 . 94 LYS N N 124.00 . 1 1032 . 94 LYS H H 9.37 . 1 1033 . 94 LYS C C 175.7 . 1 1034 . 94 LYS CA C 59.4 . 1 1035 . 94 LYS HA H 4.24 . 1 1036 . 94 LYS CB C 32.6 . 1 1037 . 94 LYS HB2 H 1.96 . 2 1038 . 94 LYS HB3 H 1.82 . 2 1039 . 94 LYS CG C 25.2 . 1 1040 . 94 LYS HG2 H 1.58 . 2 1041 . 94 LYS HG3 H 1.5 . 2 1042 . 94 LYS CD C 29.00 . 1 1043 . 94 LYS HD2 H 1.75 . 1 1044 . 94 LYS HD3 H 1.75 . 1 1045 . 94 LYS CE C 41.5 . 1 1046 . 94 LYS HE2 H 2.99 . 1 1047 . 94 LYS HE3 H 2.99 . 1 1048 . 95 SER N N 108.5 . 1 1049 . 95 SER H H 7.68 . 1 1050 . 95 SER C C 172.5 . 1 1051 . 95 SER CA C 55.8 . 1 1052 . 95 SER HA H 4.72 . 1 1053 . 95 SER CB C 64.8 . 1 1054 . 95 SER HB2 H 3.68 . 2 1055 . 95 SER HB3 H 3.59 . 2 1056 . 96 VAL N N 120.8 . 1 1057 . 96 VAL H H 8.35 . 1 1058 . 96 VAL C C 175.3 . 1 1059 . 96 VAL CA C 62.8 . 1 1060 . 96 VAL HA H 3.60 . 1 1061 . 96 VAL CB C 30.6 . 1 1062 . 96 VAL HB H 1.27 . 1 1063 . 96 VAL HG1 H 0.44 . 2 1064 . 96 VAL HG2 H -.06 . 2 1065 . 96 VAL CG1 C 21.1 . 2 1066 . 96 VAL CG2 C 20.3 . 2 1067 . 97 THR N N 117.4 . 1 1068 . 97 THR H H 7.24 . 1 1069 . 97 THR C C 173.9 . 1 1070 . 97 THR CA C 58.7 . 1 1071 . 97 THR HA H 4.65 . 1 1072 . 97 THR CB C 71.9 . 1 1073 . 97 THR HB H 4.50 . 1 1074 . 97 THR HG2 H 0.99 . 1 1075 . 97 THR CG2 C 20.7 . 1 1076 . 98 ASP N N 115.4 . 1 1077 . 98 ASP H H 8.77 . 1 1078 . 98 ASP C C 177.1 . 1 1079 . 98 ASP CA C 55.6 . 1 1080 . 98 ASP HA H 4.25 . 1 1081 . 98 ASP CB C 38.9 . 1 1082 . 98 ASP HB2 H 2.67 . 1 1083 . 98 ASP HB3 H 2.67 . 1 1084 . 99 GLU N N 117.1 . 1 1085 . 99 GLU H H 7.69 . 1 1086 . 99 GLU C C 176.7 . 1 1087 . 99 GLU CA C 57.1 . 1 1088 . 99 GLU HA H 4.09 . 1 1089 . 99 GLU CB C 29.9 . 1 1090 . 99 GLU HB2 H 2.90 . 2 1091 . 99 GLU HB3 H 1.67 . 2 1092 . 99 GLU CG C 38.4 . 1 1093 . 99 GLU HG2 H 2.51 . 2 1094 . 99 GLU HG3 H 2.30 . 2 1095 . 100 CYS N N 113.4 . 1 1096 . 100 CYS H H 7.66 . 1 1097 . 100 CYS C C 172.6 . 1 1098 . 100 CYS CA C 57.6 . 1 1099 . 100 CYS HA H 5.22 . 1 1100 . 100 CYS CB C 27.4 . 1 1101 . 100 CYS HB2 H 3.07 . 2 1102 . 100 CYS HB3 H 2.52 . 2 1103 . 101 PHE N N 113.1 . 1 1104 . 101 PHE H H 6.39 . 1 1105 . 101 PHE C C 174.6 . 1 1106 . 101 PHE CA C 56.1 . 1 1107 . 101 PHE HA H 5.09 . 1 1108 . 101 PHE CB C 41.1 . 1 1109 . 101 PHE HB2 H 2.35 . 2 1110 . 101 PHE HB3 H 2.21 . 2 1111 . 101 PHE HD1 H 6.76 . 2 1112 . 101 PHE HD2 H 6.76 . 2 1113 . 101 PHE CD1 C 130.2 . 1 1114 . 101 PHE CD2 C 130.2 . 1 1115 . 101 PHE CE1 C 131.2 . 1 1116 . 101 PHE CE2 C 131.2 . 1 1117 . 101 PHE HE1 H 6.97 . 2 1118 . 101 PHE HE2 H 6.97 . 2 1119 . 101 PHE CZ C 129.6 . 1 1120 . 101 PHE HZ H 6.95 . 1 1121 . 102 PHE N N 119.00 . 1 1122 . 102 PHE H H 9.38 . 1 1123 . 102 PHE C C 174.6 . 1 1124 . 102 PHE CA C 56.2 . 1 1125 . 102 PHE HA H 4.98 . 1 1126 . 102 PHE CB C 42.8 . 1 1127 . 102 PHE HB2 H 2.89 . 2 1128 . 102 PHE HB3 H 2.63 . 2 1129 . 102 PHE HD1 H 6.90 . 1 1130 . 102 PHE HD2 H 6.90 . 1 1131 . 102 PHE CD1 C 131.3 . 1 1132 . 102 PHE CD2 C 131.3 . 1 1133 . 102 PHE CE1 C 130.1 . 1 1134 . 102 PHE CE2 C 130.1 . 1 1135 . 102 PHE HE1 H 7.14 . 1 1136 . 102 PHE HE2 H 7.14 . 1 1137 . 102 PHE CZ C 128.8 . 1 1138 . 102 PHE HZ H 6.97 . 1 1139 . 103 PHE N N 120.0 . 1 1140 . 103 PHE H H 10.23 . 1 1141 . 103 PHE C C 175.6 . 1 1142 . 103 PHE CA C 57.2 . 1 1143 . 103 PHE HA H 5.27 . 1 1144 . 103 PHE CB C 39.3 . 1 1145 . 103 PHE HB2 H 3.07 . 2 1146 . 103 PHE HB3 H 2.86 . 2 1147 . 103 PHE HD1 H 7.08 . 1 1148 . 103 PHE HD2 H 7.08 . 1 1149 . 103 PHE CD1 C 131.7 . 1 1150 . 103 PHE CD2 C 131.7 . 1 1151 . 103 PHE CE1 C 130.6 . 1 1152 . 103 PHE CE2 C 130.6 . 1 1153 . 103 PHE HE1 H 7.26 . 1 1154 . 103 PHE HE2 H 7.26 . 1 1155 . 103 PHE CZ C 130.8 . 1 1156 . 103 PHE HZ H 7.39 . 1 1157 . 104 GLU N N 126.9 . 1 1158 . 104 GLU H H 8.65 . 1 1159 . 104 GLU C C 174.9 . 1 1160 . 104 GLU CA C 54.1 . 1 1161 . 104 GLU HA H 4.97 . 1 1162 . 104 GLU CB C 32.1 . 1 1163 . 104 GLU HB2 H 2.18 . 2 1164 . 104 GLU HB3 H 1.85 . 2 1165 . 104 GLU CG C 37.2 . 1 1166 . 104 GLU HG2 H 1.78 . 1 1167 . 104 GLU HG3 H 1.78 . 1 1168 . 105 ARG N N 127.5 . 1 1169 . 105 ARG H H 8.50 . 1 1170 . 105 ARG C C 173.3 . 1 1171 . 105 ARG CA C 54.0 . 1 1172 . 105 ARG HA H 4.73 . 1 1173 . 105 ARG CB C 33.6 . 1 1174 . 105 ARG HB2 H 1.83 . 2 1175 . 105 ARG HB3 H 1.57 . 2 1176 . 105 ARG CG C 27.2 . 1 1177 . 105 ARG HG2 H 1.60 . 2 1178 . 105 ARG HG3 H 1.43 . 2 1179 . 105 ARG CD C 43.1 . 1 1180 . 105 ARG HD2 H 3.17 . 1 1181 . 105 ARG HD3 H 3.17 . 1 1182 . 106 LEU N N 124.9 . 1 1183 . 106 LEU H H 8.32 . 1 1184 . 106 LEU C C 176.3 . 1 1185 . 106 LEU CA C 54.9 . 1 1186 . 106 LEU HA H 4.76 . 1 1187 . 106 LEU CB C 42.2 . 1 1188 . 106 LEU HB2 H 1.69 . 2 1189 . 106 LEU HB3 H 1.38 . 2 1190 . 106 LEU CG C 25.6 . 1 1191 . 106 LEU HG H 1.58 . 1 1192 . 106 LEU HD1 H 0.84 . 1 1193 . 106 LEU HD2 H 0.84 . 1 1194 . 106 LEU CD1 C 23.3 . 1 1195 . 106 LEU CD2 C 23.3 . 1 1196 . 107 GLU N N 126.2 . 1 1197 . 107 GLU H H 9.36 . 1 1198 . 107 GLU C C 176.2 . 1 1199 . 107 GLU CA C 55.0 . 1 1200 . 107 GLU HA H 4.64 . 1 1201 . 107 GLU CB C 29.9 . 1 1202 . 107 GLU HB2 H 2.12 . 2 1203 . 107 GLU HB3 H 1.89 . 2 1204 . 107 GLU CG C 35.3 . 1 1205 . 107 GLU HG2 H 2.25 . 1 1206 . 107 GLU HG3 H 2.25 . 1 1207 . 108 SER N N 111.3 . 1 1208 . 108 SER H H 8.31 . 1 1209 . 108 SER C C 174.2 . 1 1210 . 108 SER CA C 58.9 . 1 1211 . 108 SER HA H 4.33 . 1 1212 . 108 SER CB C 63.2 . 1 1213 . 108 SER HB2 H 3.87 . 1 1214 . 108 SER HB3 H 3.87 . 1 1215 . 109 ASN N N 116.6 . 1 1216 . 109 ASN H H 8.69 . 1 1217 . 109 ASN C C 173.6 . 1 1218 . 109 ASN CA C 53.8 . 1 1219 . 109 ASN HA H 4.43 . 1 1220 . 109 ASN CB C 37.2 . 1 1221 . 109 ASN HB2 H 2.99 . 1 1222 . 109 ASN HB3 H 2.99 . 1 1223 . 109 ASN HD21 H 7.55 . 2 1224 . 109 ASN HD22 H 6.45 . 2 1225 . 109 ASN ND2 N 109.2 . 1 1226 . 110 ASN N N 106.3 . 1 1227 . 110 ASN H H 8.38 . 1 1228 . 110 ASN C C 173.2 . 1 1229 . 110 ASN CA C 55.2 . 1 1230 . 110 ASN HA H 4.21 . 1 1231 . 110 ASN CB C 37.1 . 1 1232 . 110 ASN HB2 H 3.00 . 2 1233 . 110 ASN HB3 H 2.88 . 2 1234 . 110 ASN HD21 H 7.33 . 2 1235 . 110 ASN HD22 H 6.84 . 2 1236 . 110 ASN ND2 N 110.6 . 1 1237 . 111 TYR N N 116.0 . 1 1238 . 111 TYR H H 7.77 . 1 1239 . 111 TYR C C 173.7 . 1 1240 . 111 TYR CA C 58.7 . 1 1241 . 111 TYR HA H 4.50 . 1 1242 . 111 TYR CB C 40.2 . 1 1243 . 111 TYR HB2 H 3.14 . 2 1244 . 111 TYR HB3 H 2.77 . 2 1245 . 111 TYR HD1 H 7.07 . 3 1246 . 111 TYR HD2 H 7.07 . 3 1247 . 111 TYR CD1 C 133.6 . 1 1248 . 111 TYR CD2 C 133.6 . 1 1249 . 111 TYR CE1 C 118.0 . 1 1250 . 111 TYR CE2 C 118.0 . 1 1251 . 111 TYR HE1 H 6.81 . 3 1252 . 111 TYR HE2 H 6.81 . 3 1253 . 112 ASN N N 116.9 . 1 1254 . 112 ASN H H 9.72 . 1 1255 . 112 ASN C C 174.8 . 1 1256 . 112 ASN CA C 51.1 . 1 1257 . 112 ASN HA H 5.97 . 1 1258 . 112 ASN CB C 42.2 . 1 1259 . 112 ASN HB2 H 2.78 . 2 1260 . 112 ASN HB3 H 2.38 . 2 1261 . 112 ASN HD21 H 6.71 . 2 1262 . 112 ASN HD22 H 6.21 . 2 1263 . 112 ASN ND2 N 104.7 . 1 1264 . 113 THR N N 104.9 . 1 1265 . 113 THR H H 8.69 . 1 1266 . 113 THR C C 173.0 . 1 1267 . 113 THR CA C 59.1 . 1 1268 . 113 THR HA H 5.12 . 1 1269 . 113 THR CB C 72.7 . 1 1270 . 113 THR HB H 4.54 . 1 1271 . 113 THR HG2 H 1.23 . 1 1272 . 113 THR CG2 C 21.8 . 1 1273 . 114 TYR N N 117.7 . 1 1274 . 114 TYR H H 10.62 . 1 1275 . 114 TYR C C 173.0 . 1 1276 . 114 TYR CA C 57.6 . 1 1277 . 114 TYR HA H 5.19 . 1 1278 . 114 TYR CB C 39.5 . 1 1279 . 114 TYR HB2 H 2.46 . 2 1280 . 114 TYR HB3 H 2.26 . 2 1281 . 114 TYR HD1 H 6.65 . 2 1282 . 114 TYR HD2 H 6.65 . 2 1283 . 114 TYR CD1 C 131.5 . 1 1284 . 114 TYR CD2 C 131.5 . 1 1285 . 114 TYR CE1 C 117.7 . 1 1286 . 114 TYR CE2 C 117.7 . 1 1287 . 114 TYR HE1 H 6.55 . 2 1288 . 114 TYR HE2 H 6.55 . 2 1289 . 115 ARG N N 124.3 . 1 1290 . 115 ARG H H 8.72 . 1 1291 . 115 ARG C C 176.0 . 1 1292 . 115 ARG CA C 53.8 . 1 1293 . 115 ARG HA H 4.85 . 1 1294 . 115 ARG CB C 34.7 . 1 1295 . 115 ARG HB2 H 1.89 . 2 1296 . 115 ARG HB3 H 1.58 . 2 1297 . 115 ARG CG C 26.0 . 1 1298 . 115 ARG CD C 42.8 . 1 1299 . 116 SER N N 118.6 . 1 1300 . 116 SER H H 8.79 . 1 1301 . 116 SER C C 173.0 . 1 1302 . 116 SER CA C 59.1 . 1 1303 . 116 SER HA H 3.90 . 1 1304 . 116 SER CB C 62.2 . 1 1305 . 116 SER HB2 H 4.60 . 2 1306 . 116 SER HB3 H 4.15 . 2 1307 . 117 ARG N N 121.5 . 1 1308 . 117 ARG H H 7.43 . 1 1309 . 117 ARG C C 174.9 . 1 1310 . 117 ARG CA C 56.7 . 1 1311 . 117 ARG HA H 3.93 . 1 1312 . 117 ARG CB C 30.8 . 1 1313 . 117 ARG HB2 H 1.36 . 2 1314 . 117 ARG HB3 H 0.41 . 2 1315 . 117 ARG CG C 26.2 . 1 1316 . 117 ARG HG2 H 1.37 . 2 1317 . 117 ARG HG3 H 1.30 . 2 1318 . 117 ARG CD C 43.7 . 1 1319 . 117 ARG HD2 H 2.83 . 2 1320 . 117 ARG HD3 H 2.31 . 2 1321 . 118 LYS N N 116.5 . 1 1322 . 118 LYS H H 7.50 . 1 1323 . 118 LYS C C 175.7 . 1 1324 . 118 LYS CA C 56.7 . 1 1325 . 118 LYS HA H 3.84 . 1 1326 . 118 LYS CB C 34.1 . 1 1327 . 118 LYS HB2 H 1.09 . 2 1328 . 118 LYS HB3 H 0.75 . 2 1329 . 118 LYS CG C 24.8 . 1 1330 . 118 LYS HG2 H 0.53 . 2 1331 . 118 LYS HG3 H 0.32 . 2 1332 . 118 LYS CD C 29.2 . 1 1333 . 118 LYS HD2 H 1.13 . 1 1334 . 118 LYS HD3 H 1.13 . 1 1335 . 118 LYS CE C 42.0 . 1 1336 . 118 LYS HE2 H 2.80 . 2 1337 . 118 LYS HE3 H 2.72 . 2 1338 . 119 TYR N N 121.0 . 1 1339 . 119 TYR H H 7.97 . 1 1340 . 119 TYR C C 176.1 . 1 1341 . 119 TYR CA C 54.9 . 1 1342 . 119 TYR HA H 4.40 . 1 1343 . 119 TYR CB C 36.5 . 1 1344 . 119 TYR HB2 H 2.70 . 2 1345 . 119 TYR HB3 H 1.96 . 2 1346 . 119 TYR HD1 H 6.75 . 1 1347 . 119 TYR HD2 H 6.75 . 1 1348 . 119 TYR CD1 C 133.1 . 1 1349 . 119 TYR CD2 C 133.1 . 1 1350 . 119 TYR CE1 C 117.1 . 1 1351 . 119 TYR CE2 C 117.1 . 1 1352 . 119 TYR HE1 H 6.95 . 1 1353 . 119 TYR HE2 H 6.95 . 1 1354 . 120 THR N N 102.2 . 1 1355 . 120 THR H H 6.69 . 1 1356 . 120 THR C C 176.0 . 1 1357 . 120 THR CA C 64.2 . 1 1358 . 120 THR HA H 4.59 . 1 1359 . 120 THR CB C 69.1 . 1 1360 . 120 THR HB H 4.24 . 1 1361 . 120 THR HG2 H 1.19 . 1 1362 . 120 THR CG2 C 22.0 . 1 1363 . 121 SER N N 114.3 . 1 1364 . 121 SER H H 8.1 . 1 1365 . 121 SER C C 172.6 . 1 1366 . 121 SER CA C 57.9 . 1 1367 . 121 SER HA H 4.68 . 1 1368 . 121 SER CB C 63.4 . 1 1369 . 121 SER HB2 H 4.01 . 2 1370 . 121 SER HB3 H 3.76 . 2 1371 . 122 TRP N N 119.9 . 1 1372 . 122 TRP H H 8.27 . 1 1373 . 122 TRP C C 173.9 . 1 1374 . 122 TRP CA C 54.1 . 1 1375 . 122 TRP HA H 5.18 . 1 1376 . 122 TRP CB C 33.1 . 1 1377 . 122 TRP HB2 H 3.7 . 2 1378 . 122 TRP HB3 H 2.86 . 2 1379 . 122 TRP HD1 H 6.78 . 1 1380 . 122 TRP CD1 C 124.1 . 1 1381 . 122 TRP HE1 H 10.06 . 1 1382 . 122 TRP HH2 H 7.05 . 1 1383 . 122 TRP CH2 C 124.3 . 1 1384 . 122 TRP HZ3 H 6.6 . 1 1385 . 122 TRP NE1 N 125.3 . 1 1386 . 122 TRP CZ2 C 113.5 . 1 1387 . 122 TRP HZ2 H 7.35 . 1 1388 . 123 TYR N N 117.6 . 1 1389 . 123 TYR H H 8.29 . 1 1390 . 123 TYR C C 176.3 . 1 1391 . 123 TYR CA C 56.6 . 1 1392 . 123 TYR HA H 5.36 . 1 1393 . 123 TYR CB C 41.4 . 1 1394 . 123 TYR HB2 H 3.48 . 2 1395 . 123 TYR HB3 H 2.52 . 2 1396 . 123 TYR HD1 H 7.28 . 1 1397 . 123 TYR HD2 H 7.28 . 1 1398 . 123 TYR CD1 C 133.6 . 1 1399 . 123 TYR CD2 C 133.6 . 1 1400 . 123 TYR CE1 C 117.2 . 1 1401 . 123 TYR CE2 C 117.2 . 1 1402 . 123 TYR HE1 H 6.75 . 1 1403 . 123 TYR HE2 H 6.75 . 1 1404 . 124 VAL N N 120.0 . 1 1405 . 124 VAL H H 8.66 . 1 1406 . 124 VAL C C 176.3 . 1 1407 . 124 VAL CA C 63.7 . 1 1408 . 124 VAL HA H 3.69 . 1 1409 . 124 VAL CB C 32.2 . 1 1410 . 124 VAL HB H 1.85 . 1 1411 . 124 VAL HG1 H 0.29 . 2 1412 . 124 VAL HG2 H 0.43 . 2 1413 . 124 VAL CG1 C 23.4 . 2 1414 . 124 VAL CG2 C 20.3 . 2 1415 . 125 ALA N N 127.0 . 1 1416 . 125 ALA H H 8.77 . 1 1417 . 125 ALA C C 175.4 . 1 1418 . 125 ALA CA C 51.6 . 1 1419 . 125 ALA HA H 5.34 . 1 1420 . 125 ALA CB C 25.7 . 1 1421 . 125 ALA HB H 1.24 . 1 1422 . 126 LEU N N 114.7 . 1 1423 . 126 LEU H H 7.81 . 1 1424 . 126 LEU C C 175.8 . 1 1425 . 126 LEU CA C 53.1 . 1 1426 . 126 LEU HA H 4.82 . 1 1427 . 126 LEU CB C 44.7 . 1 1428 . 126 LEU HB2 H 2.16 . 2 1429 . 126 LEU HB3 H 1.02 . 2 1430 . 126 LEU HG H 1.64 . 1 1431 . 126 LEU HD1 H 0.72 . 2 1432 . 126 LEU HD2 H 0.6 . 2 1433 . 126 LEU CD1 C 26.9 . 2 1434 . 126 LEU CD2 C 20.9 . 2 1435 . 127 LYS N N 115.1 . 1 1436 . 127 LYS H H 8.52 . 1 1437 . 127 LYS C C 177.6 . 1 1438 . 127 LYS CA C 55.6 . 1 1439 . 127 LYS HA H 4.19 . 1 1440 . 127 LYS CB C 35.0 . 1 1441 . 127 LYS HB2 H 2.00 . 2 1442 . 127 LYS HB3 H 1.63 . 2 1443 . 127 LYS CG C 25.2 . 1 1444 . 128 ARG N N 117.00 . 1 1445 . 128 ARG H H 9.15 . 1 1446 . 128 ARG C C 175.4 . 1 1447 . 128 ARG CA C 57.6 . 1 1448 . 128 ARG HA H 4.07 . 1 1449 . 128 ARG CB C 28.9 . 1 1450 . 128 ARG HB2 H 1.80 . 1 1451 . 128 ARG HB3 H 1.80 . 1 1452 . 128 ARG CG C 26.4 . 1 1453 . 128 ARG HG2 H 1.56 . 1 1454 . 128 ARG HG3 H 1.56 . 1 1455 . 128 ARG CD C 43.1 . 1 1456 . 128 ARG HD2 H 3.12 . 1 1457 . 128 ARG HD3 H 3.12 . 1 1458 . 129 THR N N 102.3 . 1 1459 . 129 THR H H 6.71 . 1 1460 . 129 THR C C 175.9 . 1 1461 . 129 THR CA C 60.6 . 1 1462 . 129 THR HA H 4.17 . 1 1463 . 129 THR CB C 69.6 . 1 1464 . 129 THR HB H 4.39 . 1 1465 . 129 THR HG2 H 1.15 . 1 1466 . 129 THR CG2 C 21.9 . 1 1467 . 130 GLY N N 110.7 . 1 1468 . 130 GLY H H 7.70 . 1 1469 . 130 GLY C C 171.4 . 1 1470 . 130 GLY CA C 43.8 . 1 1471 . 130 GLY HA2 H 3.09 . 2 1472 . 130 GLY HA3 H 1.73 . 2 1473 . 131 GLN N N 113.0 . 1 1474 . 131 GLN H H 6.49 . 1 1475 . 131 GLN C C 175.5 . 1 1476 . 131 GLN CA C 53.0 . 1 1477 . 131 GLN HA H 4.60 . 1 1478 . 131 GLN CB C 29.7 . 1 1479 . 131 GLN HB2 H 1.90 . 2 1480 . 131 GLN HB3 H 1.31 . 2 1481 . 131 GLN CG C 33.2 . 1 1482 . 131 GLN HG2 H 2.18 . 1 1483 . 131 GLN HG3 H 2.18 . 1 1484 . 131 GLN HE21 H 7.55 . 2 1485 . 131 GLN HE22 H 6.95 . 2 1486 . 131 GLN NE2 N 112.5 . 1 1487 . 132 TYR N N 115.6 . 1 1488 . 132 TYR H H 8.51 . 1 1489 . 132 TYR C C 172.5 . 1 1490 . 132 TYR CA C 57.9 . 1 1491 . 132 TYR HA H 4.85 . 1 1492 . 132 TYR CB C 38.1 . 1 1493 . 132 TYR HB2 H 3.38 . 2 1494 . 132 TYR HB3 H 2.59 . 2 1495 . 132 TYR HD1 H 7.13 . 1 1496 . 132 TYR HD2 H 7.13 . 1 1497 . 132 TYR CD1 C 133.9 . 1 1498 . 132 TYR CD2 C 133.9 . 1 1499 . 132 TYR CE1 C 117.6 . 1 1500 . 132 TYR CE2 C 117.6 . 1 1501 . 132 TYR HE1 H 6.92 . 1 1502 . 132 TYR HE2 H 6.92 . 1 1503 . 133 LYS N N 121.2 . 1 1504 . 133 LYS H H 8.11 . 1 1505 . 133 LYS C C 173.9 . 1 1506 . 133 LYS CA C 53.6 . 1 1507 . 133 LYS HA H 4.19 . 1 1508 . 133 LYS CB C 35.0 . 1 1509 . 133 LYS HB2 H 1.54 . 2 1510 . 133 LYS HB3 H 1.08 . 2 1511 . 133 LYS CG C 25.2 . 1 1512 . 133 LYS HG2 H 1.29 . 1 1513 . 133 LYS HG3 H 1.29 . 1 1514 . 133 LYS CD C 30.5 . 1 1515 . 133 LYS HD2 H 1.29 . 2 1516 . 133 LYS HD3 H 1.17 . 2 1517 . 133 LYS HE2 H 2.75 . 1 1518 . 133 LYS HE3 H 2.75 . 1 1519 . 134 LEU N N 125.1 . 1 1520 . 134 LEU H H 8.56 . 1 1521 . 134 LEU C C 179.8 . 1 1522 . 134 LEU CA C 55.3 . 1 1523 . 134 LEU HA H 3.98 . 1 1524 . 134 LEU CB C 42.6 . 1 1525 . 134 LEU HB2 H 1.41 . 2 1526 . 134 LEU HB3 H 1.22 . 2 1527 . 134 LEU CG C 27.3 . 1 1528 . 134 LEU HG H 1.57 . 1 1529 . 134 LEU HD1 H 0.82 . 1 1530 . 134 LEU HD2 H 0.82 . 1 1531 . 134 LEU CD1 C 24.2 . 2 1532 . 134 LEU CD2 C 23.9 . 2 1533 . 135 GLY N N 108.1 . 1 1534 . 135 GLY H H 9.71 . 1 1535 . 135 GLY C C 174.7 . 1 1536 . 135 GLY CA C 46.5 . 1 1537 . 135 GLY HA2 H 3.86 . 2 1538 . 135 GLY HA3 H 3.60 . 2 1539 . 136 SER N N 108.2 . 1 1540 . 136 SER H H 6.31 . 1 1541 . 136 SER C C 174.6 . 1 1542 . 136 SER CA C 58.00 . 1 1543 . 136 SER HA H 3.18 . 1 1544 . 136 SER CB C 61.8 . 1 1545 . 136 SER HB2 H 3.74 . 2 1546 . 136 SER HB3 H 2.78 . 2 1547 . 137 LYS N N 118.1 . 1 1548 . 137 LYS H H 7.73 . 1 1549 . 137 LYS C C 176.5 . 1 1550 . 137 LYS CA C 54.3 . 1 1551 . 137 LYS HA H 4.57 . 1 1552 . 137 LYS CB C 31.9 . 1 1553 . 137 LYS HB2 H 2.04 . 2 1554 . 137 LYS HB3 H 1.65 . 2 1555 . 137 LYS CG C 24.6 . 1 1556 . 137 LYS HG2 H 1.37 . 2 1557 . 137 LYS HG3 H 1.25 . 2 1558 . 137 LYS CD C 27.9 . 1 1559 . 137 LYS HD2 H 1.58 . 1 1560 . 137 LYS HD3 H 1.58 . 1 1561 . 137 LYS CE C 41.8 . 1 1562 . 137 LYS HE2 H 2.89 . 2 1563 . 137 LYS HE3 H 2.82 . 2 1564 . 138 THR N N 108.1 . 1 1565 . 138 THR H H 7.39 . 1 1566 . 138 THR C C 173.5 . 1 1567 . 138 THR CA C 60.8 . 1 1568 . 138 THR HA H 4.88 . 1 1569 . 138 THR CB C 72.7 . 1 1570 . 138 THR HB H 4.11 . 1 1571 . 138 THR HG2 H 1.34 . 1 1572 . 138 THR CG2 C 22.4 . 1 1573 . 139 GLY N N 128.7 . 1 1574 . 139 GLY H H 6.57 . 1 1575 . 139 GLY C C 168.5 . 1 1576 . 139 GLY CA C 44.9 . 1 1577 . 139 GLY HA2 H 4.34 . 1 1578 . 139 GLY HA3 H 4.34 . 1 1579 . 140 PRO C C 177.4 . 1 1580 . 140 PRO CA C 62.7 . 1 1581 . 140 PRO HA H 4.02 . 1 1582 . 140 PRO CB C 31.8 . 1 1583 . 140 PRO HB2 H 2.27 . 2 1584 . 140 PRO HB3 H 1.88 . 2 1585 . 140 PRO CG C 27.0 . 1 1586 . 140 PRO HG2 H 2.07 . 1 1587 . 140 PRO HG3 H 2.07 . 1 1588 . 140 PRO CD C 49.3 . 1 1589 . 140 PRO HD2 H 3.85 . 1 1590 . 140 PRO HD3 H 3.85 . 1 1591 . 141 GLY N N 107.8 . 1 1592 . 141 GLY H H 8.57 . 1 1593 . 141 GLY C C 173.8 . 1 1594 . 141 GLY CA C 45.0 . 1 1595 . 141 GLY HA2 H 3.96 . 2 1596 . 141 GLY HA3 H 3.59 . 2 1597 . 142 GLN N N 115.5 . 1 1598 . 142 GLN H H 6.68 . 1 1599 . 142 GLN C C 176.6 . 1 1600 . 142 GLN CA C 54.8 . 1 1601 . 142 GLN HA H 4.22 . 1 1602 . 142 GLN CB C 28.7 . 1 1603 . 142 GLN HB2 H 2.21 . 2 1604 . 142 GLN HB3 H 1.82 . 2 1605 . 142 GLN CG C 32.8 . 1 1606 . 142 GLN HG2 H 2.35 . 1 1607 . 142 GLN HG3 H 2.35 . 1 1608 . 143 LYS N N 122.1 . 1 1609 . 143 LYS H H 8.88 . 1 1610 . 143 LYS C C 177.2 . 1 1611 . 143 LYS CA C 59.1 . 1 1612 . 143 LYS HA H 3.70 . 1 1613 . 143 LYS CB C 32.0 . 1 1614 . 143 LYS HB2 H 1.57 . 2 1615 . 143 LYS HB3 H 1.24 . 2 1616 . 143 LYS CG C 25.5 . 1 1617 . 143 LYS HG2 H 1.57 . 2 1618 . 143 LYS HG3 H 1.41 . 2 1619 . 143 LYS CD C 29.1 . 1 1620 . 143 LYS HD2 H 1.50 . 1 1621 . 143 LYS HD3 H 1.50 . 1 1622 . 143 LYS CE C 41.2 . 1 1623 . 143 LYS HE2 H 2.90 . 1 1624 . 143 LYS HE3 H 2.90 . 1 1625 . 144 ALA N N 112.2 . 1 1626 . 144 ALA H H 7.74 . 1 1627 . 144 ALA C C 175.0 . 1 1628 . 144 ALA CA C 54.0 . 1 1629 . 144 ALA HA H 3.96 . 1 1630 . 144 ALA CB C 20.9 . 1 1631 . 144 ALA HB H 1.33 . 1 1632 . 145 ILE N N 99.0 . 1 1633 . 145 ILE H H 6.12 . 1 1634 . 145 ILE C C 175.0 . 1 1635 . 145 ILE CA C 59.3 . 1 1636 . 145 ILE HA H 5.07 . 1 1637 . 145 ILE CB C 38.1 . 1 1638 . 145 ILE HB H 2.33 . 1 1639 . 145 ILE HG2 H 0.73 . 1 1640 . 145 ILE CG1 C 24.3 . 1 1641 . 145 ILE HG12 H 1.37 . 1 1642 . 145 ILE HG13 H 1.37 . 1 1643 . 145 ILE CG2 C 17.3 . 1 1644 . 145 ILE HD1 H 0.17 . 1 1645 . 145 ILE CD1 C 13.5 . 1 1646 . 146 LEU N N 119.7 . 1 1647 . 146 LEU H H 6.97 . 1 1648 . 146 LEU C C 175.42 . 1 1649 . 146 LEU CA C 53.7 . 1 1650 . 146 LEU HA H 4.73 . 1 1651 . 146 LEU CB C 42.2 . 1 1652 . 146 LEU HB2 H 1.68 . 2 1653 . 146 LEU HB3 H 0.88 . 2 1654 . 146 LEU HG H 0.88 . 1 1655 . 146 LEU HD1 H 0.66 . 2 1656 . 146 LEU HD2 H 0.53 . 2 1657 . 146 LEU CD1 C 22.0 . 2 1658 . 146 LEU CD2 C 26.3 . 2 1659 . 147 PHE N N 118.7 . 1 1660 . 147 PHE H H 9.77 . 1 1661 . 147 PHE C C 174.1 . 1 1662 . 147 PHE CA C 56.2 . 1 1663 . 147 PHE HA H 5.56 . 1 1664 . 147 PHE CB C 43.9 . 1 1665 . 147 PHE HB2 H 3.09 . 2 1666 . 147 PHE HB3 H 2.65 . 2 1667 . 147 PHE HD1 H 7.19 . 1 1668 . 147 PHE HD2 H 7.19 . 1 1669 . 147 PHE CD1 C 131.6 . 1 1670 . 147 PHE CD2 C 131.6 . 1 1671 . 147 PHE CE1 C 130.6 . 1 1672 . 147 PHE CE2 C 130.6 . 1 1673 . 147 PHE HE1 H 7.32 . 1 1674 . 147 PHE HE2 H 7.32 . 1 1675 . 147 PHE CZ C 128.8 . 1 1676 . 147 PHE HZ H 6.95 . 1 1677 . 148 LEU N N 126.4 . 1 1678 . 148 LEU H H 10.24 . 1 1679 . 148 LEU C C 174.9 . 1 1680 . 148 LEU CA C 51.0 . 1 1681 . 148 LEU HA H 4.96 . 1 1682 . 148 LEU CB C 44.4 . 1 1683 . 148 LEU HB2 H 1.92 . 2 1684 . 148 LEU HB3 H 0.87 . 2 1685 . 148 LEU CG C 26.5 . 1 1686 . 148 LEU HG H 1.23 . 1 1687 . 148 LEU HD1 H 0.62 . 2 1688 . 148 LEU HD2 H 0.56 . 2 1689 . 148 LEU CD1 C 25.4 . 2 1690 . 148 LEU CD2 C 23.8 . 2 1691 . 149 PRO C C 176.00 . 1 1692 . 149 PRO CA C 61.3 . 1 1693 . 149 PRO HA H 5.19 . 1 1694 . 149 PRO CB C 30.4 . 1 1695 . 149 PRO HB2 H 1.95 . 1 1696 . 149 PRO HB3 H 1.95 . 1 1697 . 149 PRO CG C 27.7 . 1 1698 . 149 PRO HG2 H 2.22 . 2 1699 . 149 PRO HG3 H 1.97 . 2 1700 . 149 PRO CD C 51.1 . 1 1701 . 149 PRO HD2 H 4.40 . 2 1702 . 149 PRO HD3 H 3.85 . 2 1703 . 150 MET N N 123.1 . 1 1704 . 150 MET H H 9.44 . 1 1705 . 150 MET C C 174.9 . 1 1706 . 150 MET CA C 54.2 . 1 1707 . 150 MET HA H 4.67 . 1 1708 . 150 MET CB C 36.2 . 1 1709 . 150 MET HB2 H 2.27 . 2 1710 . 150 MET HB3 H 1.82 . 2 1711 . 150 MET CG C 31.7 . 1 1712 . 150 MET HG2 H 2.68 . 2 1713 . 150 MET HG3 H 2.42 . 2 1714 . 150 MET CE C 16.7 . 1 1715 . 150 MET HE H 1.88 . 1 1716 . 151 SER N N 113.5 . 1 1717 . 151 SER H H 8.73 . 1 1718 . 151 SER C C 174.7 . 1 1719 . 151 SER CA C 58.9 . 1 1720 . 151 SER HA H 4.33 . 1 1721 . 151 SER CB C 63.2 . 1 1722 . 151 SER HB2 H 3.97 . 2 1723 . 151 SER HB3 H 3.79 . 2 1724 . 152 ALA N N 125.0 . 1 1725 . 152 ALA H H 8.46 . 1 1726 . 152 ALA C C 175.6 . 1 1727 . 152 ALA CA C 51.0 . 1 1728 . 152 ALA HA H 4.36 . 1 1729 . 152 ALA CB C 18.7 . 1 1730 . 152 ALA HB H 1.10 . 1 1731 . 153 LYS N N 117.6 . 1 1732 . 153 LYS H H 8.01 . 1 1733 . 153 LYS C C 175.4 . 1 1734 . 153 LYS CA C 56.4 . 1 1735 . 153 LYS HA H 4.17 . 1 1736 . 153 LYS CB C 32.8 . 1 1737 . 153 LYS HB2 H 1.77 . 2 1738 . 153 LYS HB3 H 1.64 . 2 1739 . 153 LYS CG C 24.4 . 1 1740 . 153 LYS HG2 H 1.36 . 1 1741 . 153 LYS HG3 H 1.36 . 1 1742 . 153 LYS CD C 28.7 . 1 1743 . 153 LYS HD2 H 2.22 . 1 1744 . 153 LYS HD3 H 2.22 . 1 1745 . 153 LYS CE C 41.6 . 1 1746 . 153 LYS HE2 H 2.92 . 1 1747 . 153 LYS HE3 H 2.92 . 1 1748 . 154 SER N N 119.7 . 1 1749 . 154 SER H H 7.82 . 1 1750 . 154 SER C C 178.2 . 1 1751 . 154 SER CA C 59.7 . 1 1752 . 154 SER HA H 4.11 . 1 1753 . 154 SER CB C 64.3 . 1 1754 . 154 SER HB2 H 3.75 . 1 1755 . 154 SER HB3 H 3.75 . 1 stop_ save_