data_4094 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13CO Assignments of Human Interleukin-4 Using Three Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy ; _BMRB_accession_number 4094 _BMRB_flat_file_name bmr4094.str _Entry_type original _Submission_date 1998-01-07 _Accession_date 1998-01-07 _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 Powers Robert . . 2 Garrett Daniel S. . 3 March Carl J. . 4 Frieden Eric A. . 5 Gronenborn Angela M. . 6 Clore G. Marius . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 811 "13C chemical shifts" 605 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1998-03-02 original author . stop_ _Original_release_date 1998-03-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Powers, R., Garrett, D. S., March, C. J., Frieden, E. A., Gronenborn A. M., and Clore G. M., "1H, 15N, and 13CO Assignments of Human Interleukin-4 Using Three Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy," Biochemistry 31, 4334-4346 (1992). ; _Citation_title ; 1H, 15N, and 13CO Assignments of Human Interleukin-4 Using Three Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 92232741 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Powers Robert . . 2 Garrett Daniel S. . 3 March Carl J. . 4 Frieden Eric A. . 5 Gronenborn Angela M. . 6 Clore G. Marius . stop_ _Journal_abbreviation Biochemistry _Journal_volume 31 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4334 _Page_last 4346 _Year 1992 _Details . loop_ _Keyword 'cytokine family' 'Interleukin 4' 'Nuclear Magnetic resonance' 'Three- and four-dimensional heteronuclear NMR' stop_ save_ ################################## # Molecular system description # ################################## save_system_IL-4 _Saveframe_category molecular_system _Mol_system_name 'human Interleukin 4' _Abbreviation_common IL-4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IL-4 $IL-4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'IL-4 plays a major role in the immune and inflammatory systems' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IL-4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human Interleukin 4' _Abbreviation_common IL-4 _Molecular_mass 15400 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; EAEAHKCDITLQEIIKTLNS LTEQKTLCTELTVTDIFAAS KDTTEKETFCRAATVLRQFY SHHEKDTRCLGATAQQFHRH KQLIRFLKRLDRNLWGLAGL NSCPVKEADQSTLENFLERL KTIMREKYSKCSS ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ALA 3 GLU 4 ALA 5 HIS 6 LYS 7 CYS 8 ASP 9 ILE 10 THR 11 LEU 12 GLN 13 GLU 14 ILE 15 ILE 16 LYS 17 THR 18 LEU 19 ASN 20 SER 21 LEU 22 THR 23 GLU 24 GLN 25 LYS 26 THR 27 LEU 28 CYS 29 THR 30 GLU 31 LEU 32 THR 33 VAL 34 THR 35 ASP 36 ILE 37 PHE 38 ALA 39 ALA 40 SER 41 LYS 42 ASP 43 THR 44 THR 45 GLU 46 LYS 47 GLU 48 THR 49 PHE 50 CYS 51 ARG 52 ALA 53 ALA 54 THR 55 VAL 56 LEU 57 ARG 58 GLN 59 PHE 60 TYR 61 SER 62 HIS 63 HIS 64 GLU 65 LYS 66 ASP 67 THR 68 ARG 69 CYS 70 LEU 71 GLY 72 ALA 73 THR 74 ALA 75 GLN 76 GLN 77 PHE 78 HIS 79 ARG 80 HIS 81 LYS 82 GLN 83 LEU 84 ILE 85 ARG 86 PHE 87 LEU 88 LYS 89 ARG 90 LEU 91 ASP 92 ARG 93 ASN 94 LEU 95 TRP 96 GLY 97 LEU 98 ALA 99 GLY 100 LEU 101 ASN 102 SER 103 CYS 104 PRO 105 VAL 106 LYS 107 GLU 108 ALA 109 ASP 110 GLN 111 SER 112 THR 113 LEU 114 GLU 115 ASN 116 PHE 117 LEU 118 GLU 119 ARG 120 LEU 121 LYS 122 THR 123 ILE 124 MET 125 ARG 126 GLU 127 LYS 128 TYR 129 SER 130 LYS 131 CYS 132 SER 133 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 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 2031 "interleukin 4" 96.99 130 97.67 99.22 3.21e-86 PDB 1BBN "Three-Dimensional Solution Structure Of Human Interleukin-4 By Multi- Dimensional Heteronuclear Magnetic Resonance Spectroscopy" 100.00 133 100.00 100.00 4.18e-91 PDB 1BCN "Three-Dimensional Solution Structure Of Human Interleukin-4 By Multi-Dimensional Heteronuclear Magnetic Resonance Spectroscopy" 100.00 133 100.00 100.00 4.18e-91 PDB 1CYL "Aspects Of Receptor Binding And Signalling Of Interleukin-4 Investigated By Site-Directed Mutagenesis And Nmr Spectroscopy" 96.99 129 98.45 100.00 5.13e-87 PDB 1HIJ "Interleukin-4 Mutant With Arg 88 Replaced With Gln (R88q)" 96.99 129 97.67 100.00 2.64e-86 PDB 1HIK "Interleukin-4 (Wild-Type)" 96.99 129 98.45 100.00 5.13e-87 PDB 1HZI "Interleukin-4 Mutant E9a" 96.99 129 97.67 99.22 3.14e-86 PDB 1IAR "Interleukin-4 RECEPTOR ALPHA CHAIN COMPLEX" 96.99 129 98.45 100.00 5.13e-87 PDB 1ITI "The High Resolution Three-Dimensional Solution Structure Of Human Interleukin-4 Determined By Multi-Dimensional Heteronuclear M" 100.00 133 100.00 100.00 4.18e-91 PDB 1ITL "Human Interleukin 4: The Solution Structure Of A Four-Helix- Bundle Protein" 96.99 130 98.45 100.00 3.42e-87 PDB 1ITM "Analysis Of The Solution Structure Of Human Interleukin 4 Determined By Heteronuclear Three-Dimensional Nuclear Magnetic Resona" 96.99 130 98.45 100.00 3.42e-87 PDB 1RCB "Crystal Structure Of Human Recombinant Interleukin-4 At 2.25 Angstroms Resolution" 96.99 129 98.45 100.00 5.13e-87 PDB 2B8U "Crystal Structure Of Wildtype Human Interleukin-4" 96.99 129 98.45 100.00 5.13e-87 PDB 2B8X "Crystal Stucture Of The Interleukin-4 Variant F82d" 96.99 129 97.67 99.22 1.74e-85 PDB 2B8Y "Crystal Structure Of The Interleukin-4 Variant T13df82d" 96.99 129 96.90 98.45 1.42e-84 PDB 2B8Z "Crystal Structure Of The Interleukin-4 Variant R85a" 96.99 129 97.67 99.22 4.17e-86 PDB 2B90 "Crystal Structure Of The Interleukin-4 Variant T13dr85a" 96.99 129 96.90 98.45 3.51e-85 PDB 2B91 "Crystal Structure Of The Interleukin-4 Variant F82dr85a" 96.99 129 96.90 98.45 1.24e-84 PDB 2CYK "Aspects Of Receptor Binding And Signalling Of Interleukin-4 Investigated By Site-Directed Mutagenesis And Nmr Spectroscopy" 96.99 129 98.45 100.00 5.13e-87 PDB 2D48 "Crystal Structure Of The Interleukin-4 Variant T13d" 96.99 129 97.67 99.22 3.86e-86 PDB 2INT "Crystal Structure Of Recombinant Human Interleukin-4" 96.99 129 98.45 100.00 5.13e-87 PDB 3BPL "Crystal Structure Of The Il4-Il4r-Common Gamma Ternary Complex" 96.99 129 98.45 100.00 5.13e-87 PDB 3BPN "Crystal Structure Of The Il4-Il4r-Il13ra Ternary Complex" 96.99 129 98.45 100.00 5.13e-87 PDB 4YDY "Crystal Structure Of Darpin 44c12v5 In Complex With Human Il-4" 96.99 130 98.45 100.00 3.42e-87 EMBL CAA34682 "alpha mating factor prepropropeptide/interleukin 4 [synthetic construct]" 96.99 136 98.45 100.00 4.45e-87 GB AAH67515 "Interleukin 4, isoform 1 precursor [Homo sapiens]" 97.74 153 96.92 98.46 1.22e-85 GB ABM53124 "interleukin 4 [Homo sapiens]" 74.44 99 97.98 100.00 6.83e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IL-4 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $IL-4 'recombinant technology' yeast Saccharomyces cerevisiae XV2181 plasmid pIXY157 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 $IL-4 2 mM '[U-95% 15N]' H2O 90 % . D2O 10 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IL-4 2 mM '[U-95% 15N; U-95% 13C]' D2O 99.996 % . 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 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.7 . n/a temperature 309 . 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 0.00 ppm . . . . . . TSP H 1 0.00 ppm . . . . . . 'liquid NH3' N 15 0.00 ppm . 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 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name IL-4 _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 GLU HA H 4.08 . 1 2 . 1 GLU HB2 H 2.15 . 1 3 . 1 GLU HB3 H 2.15 . 1 4 . 1 GLU HG2 H 2.42 . 1 5 . 1 GLU HG3 H 2.42 . 1 6 . 1 GLU C C 172.3 . 1 7 . 1 GLU CA C 55.4 . 1 8 . 1 GLU CB C 30.1 . 1 9 . 1 GLU CG C 34.0 . 1 10 . 2 ALA HA H 4.38 . 1 11 . 2 ALA HB H 1.42 . 1 12 . 2 ALA C C 177.2 . 1 13 . 2 ALA CA C 52.5 . 1 14 . 2 ALA CB C 18.6 . 1 15 . 2 ALA N N 125.5 . 1 16 . 3 GLU H H 8.47 . 1 17 . 3 GLU HA H 4.25 . 1 18 . 3 GLU HB2 H 2.01 . 2 19 . 3 GLU HB3 H 1.95 . 2 20 . 3 GLU HG2 H 2.29 . 1 21 . 3 GLU HG3 H 2.29 . 1 22 . 3 GLU C C 176.1 . 1 23 . 3 GLU CA C 56.5 . 1 24 . 3 GLU CB C 30.1 . 1 25 . 3 GLU CG C 36.1 . 1 26 . 3 GLU N N 120.7 . 1 27 . 4 ALA H H 8.27 . 1 28 . 4 ALA HA H 4.30 . 1 29 . 4 ALA HB H 1.33 . 1 30 . 4 ALA C C 177.4 . 1 31 . 4 ALA CA C 52.4 . 1 32 . 4 ALA CB C 19.1 . 1 33 . 4 ALA N N 124.8 . 1 34 . 5 HIS H H 8.41 . 1 35 . 5 HIS HA H 4.73 . 1 36 . 5 HIS HB2 H 3.31 . 2 37 . 5 HIS HB3 H 3.19 . 2 38 . 5 HIS HD2 H 7.29 . 1 39 . 5 HIS HE1 H 8.55 . 1 40 . 5 HIS C C 174.2 . 1 41 . 5 HIS CA C 55.0 . 1 42 . 5 HIS CB C 29.0 . 1 43 . 5 HIS CD2 C 120.0 . 1 44 . 5 HIS CE1 C 136.2 . 1 45 . 5 HIS N N 117.4 . 1 46 . 6 LYS H H 8.22 . 1 47 . 6 LYS HA H 4.48 . 1 48 . 6 LYS HB2 H 1.88 . 2 49 . 6 LYS HB3 H 1.78 . 2 50 . 6 LYS HG2 H 1.46 . 1 51 . 6 LYS HG3 H 1.46 . 1 52 . 6 LYS HE2 H 3.17 . 2 53 . 6 LYS HE3 H 2.67 . 2 54 . 6 LYS C C 176.5 . 1 55 . 6 LYS CA C 56.3 . 1 56 . 6 LYS CB C 33.2 . 1 57 . 6 LYS CG C 24.6 . 1 58 . 6 LYS CE C 40.8 . 1 59 . 6 LYS N N 121.6 . 1 60 . 7 CYS H H 8.58 . 1 61 . 7 CYS HA H 4.70 . 1 62 . 7 CYS HB2 H 2.98 . 1 63 . 7 CYS HB3 H 3.15 . 1 64 . 7 CYS C C 174.2 . 1 65 . 7 CYS CA C 54.9 . 1 66 . 7 CYS CB C 41.6 . 1 67 . 7 CYS N N 120.1 . 1 68 . 8 ASP H H 8.41 . 1 69 . 8 ASP HA H 4.62 . 1 70 . 8 ASP HB2 H 2.81 . 2 71 . 8 ASP HB3 H 2.69 . 2 72 . 8 ASP C C 177.3 . 1 73 . 8 ASP CA C 54.6 . 1 74 . 8 ASP CB C 42.4 . 1 75 . 8 ASP N N 123.0 . 1 76 . 9 ILE H H 8.43 . 1 77 . 9 ILE HA H 4.06 . 1 78 . 9 ILE HB H 1.99 . 1 79 . 9 ILE HG12 H 1.54 . 2 80 . 9 ILE HG13 H 1.37 . 2 81 . 9 ILE HG2 H 1.01 . 1 82 . 9 ILE HD1 H 0.92 . 1 83 . 9 ILE C C 177.2 . 1 84 . 9 ILE CA C 63.6 . 1 85 . 9 ILE CB C 38.1 . 1 86 . 9 ILE CG1 C 28.1 . 1 87 . 9 ILE CG2 C 17.6 . 1 88 . 9 ILE CD1 C 13.3 . 1 89 . 9 ILE N N 123.3 . 1 90 . 10 THR H H 8.31 . 1 91 . 10 THR HA H 3.99 . 1 92 . 10 THR HB H 4.12 . 1 93 . 10 THR HG2 H 1.24 . 1 94 . 10 THR C C 176.6 . 1 95 . 10 THR CA C 65.6 . 1 96 . 10 THR CB C 68.3 . 1 97 . 10 THR CG2 C 22.3 . 1 98 . 10 THR N N 117.1 . 1 99 . 11 LEU H H 7.76 . 1 100 . 11 LEU HA H 3.96 . 1 101 . 11 LEU HB2 H 1.68 . 1 102 . 11 LEU HB3 H 1.85 . 1 103 . 11 LEU HG H 1.74 . 1 104 . 11 LEU HD1 H 0.94 . 1 105 . 11 LEU HD2 H 0.85 . 1 106 . 11 LEU C C 178.4 . 1 107 . 11 LEU CA C 57.9 . 1 108 . 11 LEU CB C 41.7 . 1 109 . 11 LEU CG C 27.8 . 1 110 . 11 LEU CD1 C 25.2 . 1 111 . 11 LEU CD2 C 24.9 . 1 112 . 11 LEU N N 121.2 . 1 113 . 12 GLN H H 7.86 . 1 114 . 12 GLN HA H 3.74 . 1 115 . 12 GLN HB2 H 2.17 . 1 116 . 12 GLN HB3 H 2.17 . 1 117 . 12 GLN HG2 H 2.42 . 2 118 . 12 GLN HG3 H 2.27 . 2 119 . 12 GLN HE21 H 7.17 . 2 120 . 12 GLN HE22 H 6.83 . 2 121 . 12 GLN C C 178.4 . 1 122 . 12 GLN CA C 59.4 . 1 123 . 12 GLN CB C 28.5 . 1 124 . 12 GLN CG C 34.2 . 1 125 . 12 GLN N N 116.5 . 1 126 . 12 GLN NE2 N 111.1 . 1 127 . 13 GLU H H 7.96 . 1 128 . 13 GLU HA H 4.02 . 1 129 . 13 GLU HB2 H 2.06 . 1 130 . 13 GLU HB3 H 2.15 . 1 131 . 13 GLU HG2 H 2.32 . 2 132 . 13 GLU HG3 H 2.27 . 2 133 . 13 GLU C C 179.9 . 1 134 . 13 GLU CA C 59.1 . 1 135 . 13 GLU CB C 29.2 . 1 136 . 13 GLU CG C 35.9 . 1 137 . 13 GLU N N 118.9 . 1 138 . 14 ILE H H 8.12 . 1 139 . 14 ILE HA H 3.57 . 1 140 . 14 ILE HB H 2.01 . 1 141 . 14 ILE HG12 H 1.91 . 2 142 . 14 ILE HG13 H 0.79 . 2 143 . 14 ILE HG2 H 0.80 . 1 144 . 14 ILE HD1 H 0.67 . 1 145 . 14 ILE C C 177.2 . 1 146 . 14 ILE CA C 66.0 . 1 147 . 14 ILE CB C 37.8 . 1 148 . 14 ILE CG1 C 30.3 . 1 149 . 14 ILE CG2 C 17.1 . 1 150 . 14 ILE CD1 C 14.5 . 1 151 . 14 ILE N N 122.2 . 1 152 . 15 ILE H H 7.98 . 1 153 . 15 ILE HA H 3.46 . 1 154 . 15 ILE HB H 1.74 . 1 155 . 15 ILE HG12 H 1.35 . 2 156 . 15 ILE HG13 H 0.95 . 2 157 . 15 ILE HG2 H 0.71 . 1 158 . 15 ILE HD1 H 0.57 . 1 159 . 15 ILE C C 177.6 . 1 160 . 15 ILE CA C 65.1 . 1 161 . 15 ILE CB C 37.2 . 1 162 . 15 ILE CG1 C 29.5 . 1 163 . 15 ILE CG2 C 16.5 . 1 164 . 15 ILE CD1 C 12.2 . 1 165 . 15 ILE N N 120.2 . 1 166 . 16 LYS H H 8.03 . 1 167 . 16 LYS HA H 3.99 . 1 168 . 16 LYS HB2 H 1.88 . 1 169 . 16 LYS HB3 H 1.88 . 1 170 . 16 LYS HG2 H 1.57 . 2 171 . 16 LYS HG3 H 1.41 . 2 172 . 16 LYS HD2 H 1.66 . 1 173 . 16 LYS HD3 H 1.66 . 1 174 . 16 LYS HE2 H 2.91 . 1 175 . 16 LYS HE3 H 2.91 . 1 176 . 16 LYS C C 179.7 . 1 177 . 16 LYS CA C 59.9 . 1 178 . 16 LYS CB C 32.2 . 1 179 . 16 LYS CG C 25.1 . 1 180 . 16 LYS CD C 29.2 . 1 181 . 16 LYS CE C 41.79 . 1 182 . 16 LYS N N 119.4 . 1 183 . 17 THR H H 8.13 . 1 184 . 17 THR HA H 3.65 . 1 185 . 17 THR HB H 4.25 . 1 186 . 17 THR HG2 H 1.14 . 1 187 . 17 THR C C 176.2 . 1 188 . 17 THR CA C 67.1 . 1 189 . 17 THR CB C 67.9 . 1 190 . 17 THR CG2 C 22.6 . 1 191 . 17 THR N N 116.8 . 1 192 . 18 LEU H H 8.55 . 1 193 . 18 LEU HA H 4.00 . 1 194 . 18 LEU HB2 H 2.04 . 1 195 . 18 LEU HB3 H 1.19 . 1 196 . 18 LEU HG H 1.80 . 1 197 . 18 LEU HD1 H 0.71 . 1 198 . 18 LEU HD2 H 0.94 . 1 199 . 18 LEU C C 179.0 . 1 200 . 18 LEU CA C 58.3 . 1 201 . 18 LEU CB C 41.8 . 1 202 . 18 LEU CG C 27.2 . 1 203 . 18 LEU CD1 C 26.3 . 1 204 . 18 LEU CD2 C 24.6 . 1 205 . 18 LEU N N 121.5 . 1 206 . 19 ASN H H 8.45 . 1 207 . 19 ASN HA H 4.33 . 1 208 . 19 ASN HB2 H 2.94 . 1 209 . 19 ASN HB3 H 2.82 . 1 210 . 19 ASN HD21 H 7.48 . 2 211 . 19 ASN HD22 H 6.59 . 2 212 . 19 ASN C C 177.4 . 1 213 . 19 ASN CA C 55.7 . 1 214 . 19 ASN CB C 37.1 . 1 215 . 19 ASN N N 119.7 . 1 216 . 19 ASN ND2 N 110.2 . 1 217 . 20 SER H H 7.76 . 1 218 . 20 SER HA H 4.26 . 1 219 . 20 SER HB2 H 3.58 . 1 220 . 20 SER HB3 H 3.61 . 1 221 . 20 SER C C 176.4 . 1 222 . 20 SER CA C 61.8 . 1 223 . 20 SER CB C 62.9 . 1 224 . 20 SER N N 115.8 . 1 225 . 21 LEU H H 8.04 . 1 226 . 21 LEU HA H 4.07 . 1 227 . 21 LEU HB2 H 1.92 . 1 228 . 21 LEU HB3 H 1.51 . 1 229 . 21 LEU HG H 1.68 . 1 230 . 21 LEU HD1 H 0.86 . 1 231 . 21 LEU HD2 H 1.05 . 1 232 . 21 LEU C C 178.1 . 1 233 . 21 LEU CA C 57.2 . 1 234 . 21 LEU CB C 43.7 . 1 235 . 21 LEU CG C 27.5 . 1 236 . 21 LEU CD1 C 27.1 . 1 237 . 21 LEU CD2 C 25.4 . 1 238 . 21 LEU N N 120.3 . 1 239 . 22 THR H H 7.66 . 1 240 . 22 THR HA H 4.41 . 1 241 . 22 THR HB H 4.51 . 1 242 . 22 THR HG2 H 1.21 . 1 243 . 22 THR C C 175.2 . 1 244 . 22 THR CA C 62.7 . 1 245 . 22 THR CB C 69.2 . 1 246 . 22 THR CG2 C 21.8 . 1 247 . 22 THR N N 107.0 . 1 248 . 23 GLU H H 7.37 . 1 249 . 23 GLU HA H 4.28 . 1 250 . 23 GLU HB2 H 2.13 . 1 251 . 23 GLU HB3 H 2.13 . 1 252 . 23 GLU HG2 H 2.45 . 2 253 . 23 GLU HG3 H 2.36 . 2 254 . 23 GLU C C 176.3 . 1 255 . 23 GLU CA C 57.3 . 1 256 . 23 GLU CB C 30.0 . 1 257 . 23 GLU CG C 35.90 . 1 258 . 23 GLU N N 119.8 . 1 259 . 24 GLN H H 7.43 . 1 260 . 24 GLN HA H 4.53 . 1 261 . 24 GLN HB2 H 2.11 . 2 262 . 24 GLN HB3 H 1.99 . 2 263 . 24 GLN HG2 H 2.35 . 2 264 . 24 GLN HG3 H 2.29 . 2 265 . 24 GLN HE21 H 7.43 . 2 266 . 24 GLN HE22 H 6.58 . 2 267 . 24 GLN C C 174.5 . 1 268 . 24 GLN CA C 54.4 . 1 269 . 24 GLN CB C 29.8 . 1 270 . 24 GLN CG C 33.2 . 1 271 . 24 GLN N N 116.9 . 1 272 . 24 GLN NE2 N 110.6 . 1 273 . 25 LYS H H 8.14 . 1 274 . 25 LYS HA H 4.48 . 1 275 . 25 LYS HB2 H 1.77 . 1 276 . 25 LYS HB3 H 1.85 . 1 277 . 25 LYS HG2 H 1.38 . 1 278 . 25 LYS HG3 H 1.38 . 1 279 . 25 LYS HD2 H 1.67 . 1 280 . 25 LYS HD3 H 1.67 . 1 281 . 25 LYS HE2 H 3.00 . 1 282 . 25 LYS HE3 H 3.00 . 1 283 . 25 LYS C C 176.6 . 1 284 . 25 LYS CA C 56.3 . 1 285 . 25 LYS CB C 32.7 . 1 286 . 25 LYS CG C 24.6 . 1 287 . 25 LYS CD C 28.9 . 1 288 . 25 LYS CE C 41.8 . 1 289 . 25 LYS N N 122.6 . 1 290 . 26 THR H H 8.26 . 1 291 . 26 THR HA H 4.90 . 1 292 . 26 THR HB H 4.60 . 1 293 . 26 THR HG2 H 1.29 . 1 294 . 26 THR C C 175.1 . 1 295 . 26 THR CA C 59.7 . 1 296 . 26 THR CB C 71.6 . 1 297 . 26 THR CG2 C 21.9 . 1 298 . 26 THR N N 114.9 . 1 299 . 27 LEU H H 8.46 . 1 300 . 27 LEU HA H 4.28 . 1 301 . 27 LEU HB2 H 1.90 . 2 302 . 27 LEU HB3 H 1.69 . 2 303 . 27 LEU HG H 1.82 . 1 304 . 27 LEU HD1 H 0.97 . 1 305 . 27 LEU HD2 H 0.97 . 1 306 . 27 LEU C C 178.7 . 1 307 . 27 LEU CA C 57.6 . 1 308 . 27 LEU CB C 42.3 . 1 309 . 27 LEU CG C 27.4 . 1 310 . 27 LEU CD1 C 24.9 . 2 311 . 27 LEU CD2 C 23.6 . 2 312 . 27 LEU N N 121.4 . 1 313 . 28 CYS H H 8.42 . 1 314 . 28 CYS HA H 4.57 . 1 315 . 28 CYS HB2 H 3.63 . 1 316 . 28 CYS HB3 H 3.14 . 1 317 . 28 CYS C C 175.7 . 1 318 . 28 CYS CA C 57.3 . 1 319 . 28 CYS CB C 40.7 . 1 320 . 28 CYS N N 114.2 . 1 321 . 29 THR H H 7.76 . 1 322 . 29 THR HA H 4.24 . 1 323 . 29 THR HB H 4.51 . 1 324 . 29 THR HG2 H 1.35 . 1 325 . 29 THR C C 174.0 . 1 326 . 29 THR CA C 64.3 . 1 327 . 29 THR CB C 67.9 . 1 328 . 29 THR CG2 C 22.3 . 1 329 . 29 THR N N 107.7 . 1 330 . 30 GLU HA H 4.54 . 1 331 . 30 GLU HB2 H 2.29 . 2 332 . 30 GLU HB3 H 2.06 . 2 333 . 30 GLU HG2 H 2.44 . 2 334 . 30 GLU HG3 H 2.34 . 2 335 . 30 GLU C C 176.8 . 1 336 . 30 GLU CA C 55.9 . 1 337 . 30 GLU CB C 29.5 . 1 338 . 30 GLU CG C 35.9 . 1 339 . 30 GLU N N 117.4 . 1 340 . 31 LEU H H 7.05 . 1 341 . 31 LEU HA H 4.48 . 1 342 . 31 LEU HB2 H 2.05 . 1 343 . 31 LEU HB3 H 1.62 . 1 344 . 31 LEU HG H 1.84 . 1 345 . 31 LEU HD1 H 0.63 . 1 346 . 31 LEU HD2 H 0.86 . 1 347 . 31 LEU C C 176.5 . 1 348 . 31 LEU CA C 54.9 . 1 349 . 31 LEU CB C 41.1 . 1 350 . 31 LEU CG C 27.2 . 1 351 . 31 LEU CD1 C 25.2 . 1 352 . 31 LEU CD2 C 21.9 . 1 353 . 31 LEU N N 118.6 . 1 354 . 32 THR H H 7.77 . 1 355 . 32 THR HA H 5.09 . 1 356 . 32 THR HB H 4.22 . 1 357 . 32 THR HG2 H 1.12 . 1 358 . 32 THR C C 174.8 . 1 359 . 32 THR CA C 61.2 . 1 360 . 32 THR CB C 71.5 . 1 361 . 32 THR CG2 C 21.3 . 1 362 . 32 THR N N 107.5 . 1 363 . 33 VAL H H 8.98 . 1 364 . 33 VAL HA H 4.67 . 1 365 . 33 VAL HB H 1.89 . 1 366 . 33 VAL HG1 H 0.70 . 1 367 . 33 VAL HG2 H 0.28 . 1 368 . 33 VAL C C 174.5 . 1 369 . 33 VAL CA C 58.6 . 1 370 . 33 VAL CB C 35.9 . 1 371 . 33 VAL CG1 C 23.3 . 1 372 . 33 VAL CG2 C 18.4 . 1 373 . 33 VAL N N 113.3 . 1 374 . 34 THR H H 7.81 . 1 375 . 34 THR HA H 4.16 . 1 376 . 34 THR HB H 3.83 . 1 377 . 34 THR HG2 H 1.10 . 1 378 . 34 THR C C 173.2 . 1 379 . 34 THR CA C 64.1 . 1 380 . 34 THR CB C 69.2 . 1 381 . 34 THR CG2 C 22.6 . 1 382 . 34 THR N N 118.3 . 1 383 . 35 ASP H H 8.66 . 1 384 . 35 ASP HA H 4.72 . 1 385 . 35 ASP HB2 H 2.35 . 1 386 . 35 ASP HB3 H 2.85 . 1 387 . 35 ASP C C 177.4 . 1 388 . 35 ASP CA C 52.8 . 1 389 . 35 ASP CB C 39.9 . 1 390 . 35 ASP N N 123.8 . 1 391 . 36 ILE H H 7.02 . 1 392 . 36 ILE HA H 4.15 . 1 393 . 36 ILE HB H 1.96 . 1 394 . 36 ILE HG12 H 0.72 . 2 395 . 36 ILE HG13 H 0.48 . 2 396 . 36 ILE HG2 H 0.91 . 1 397 . 36 ILE HD1 H 0.34 . 1 398 . 36 ILE C C 176.4 . 1 399 . 36 ILE CA C 61.4 . 1 400 . 36 ILE CB C 37.6 . 1 401 . 36 ILE CG1 C 25.9 . 1 402 . 36 ILE CG2 C 21.6 . 1 403 . 36 ILE CD1 C 14.9 . 1 404 . 36 ILE N N 116.6 . 1 405 . 37 PHE H H 8.15 . 1 406 . 37 PHE HA H 4.48 . 1 407 . 37 PHE HB2 H 3.12 . 1 408 . 37 PHE HB3 H 3.25 . 1 409 . 37 PHE HD1 H 7.27 . 1 410 . 37 PHE HD2 H 7.27 . 1 411 . 37 PHE HE1 H 6.65 . 1 412 . 37 PHE HE2 H 6.65 . 1 413 . 37 PHE HZ H 6.55 . 1 414 . 37 PHE C C 176.9 . 1 415 . 37 PHE CA C 59.4 . 1 416 . 37 PHE CB C 37.9 . 1 417 . 37 PHE CD1 C 131.7 . 1 418 . 37 PHE CD2 C 131.7 . 1 419 . 37 PHE CE1 C 131.0 . 1 420 . 37 PHE CE2 C 131.0 . 1 421 . 37 PHE CZ C 127.9 . 1 422 . 37 PHE N N 119.9 . 1 423 . 38 ALA H H 7.46 . 1 424 . 38 ALA HA H 4.26 . 1 425 . 38 ALA HB H 1.44 . 1 426 . 38 ALA C C 177.8 . 1 427 . 38 ALA CA C 53.6 . 1 428 . 38 ALA CB C 18.3 . 1 429 . 38 ALA N N 123.7 . 1 430 . 39 ALA H H 7.68 . 1 431 . 39 ALA HA H 4.51 . 1 432 . 39 ALA HB H 1.38 . 1 433 . 39 ALA C C 177.5 . 1 434 . 39 ALA CA C 52.0 . 1 435 . 39 ALA CB C 19.0 . 1 436 . 39 ALA N N 120.3 . 1 437 . 40 SER H H 7.77 . 1 438 . 40 SER HA H 4.41 . 1 439 . 40 SER HB2 H 3.97 . 2 440 . 40 SER HB3 H 3.90 . 2 441 . 40 SER C C 175.1 . 1 442 . 40 SER CA C 58.6 . 1 443 . 40 SER CB C 63.6 . 1 444 . 40 SER N N 113.9 . 1 445 . 41 LYS H H 8.22 . 1 446 . 41 LYS HA H 4.33 . 1 447 . 41 LYS HB2 H 1.81 . 1 448 . 41 LYS HB3 H 1.81 . 1 449 . 41 LYS HG2 H 1.44 . 1 450 . 41 LYS HG3 H 1.44 . 1 451 . 41 LYS HD2 H 1.86 . 2 452 . 41 LYS HD3 H 1.70 . 2 453 . 41 LYS HE2 H 3.04 . 1 454 . 41 LYS HE3 H 3.04 . 1 455 . 41 LYS C C 176.3 . 1 456 . 41 LYS CA C 56.9 . 1 457 . 41 LYS CB C 32.4 . 1 458 . 41 LYS CG C 24.6 . 1 459 . 41 LYS CD C 28.7 . 1 460 . 41 LYS CE C 41.5 . 1 461 . 41 LYS N N 122.7 . 1 462 . 42 ASP H H 8.26 . 1 463 . 42 ASP HA H 4.68 . 1 464 . 42 ASP HB2 H 2.79 . 2 465 . 42 ASP HB3 H 2.61 . 2 466 . 42 ASP C C 175.8 . 1 467 . 42 ASP CA C 54.4 . 1 468 . 42 ASP CB C 40.7 . 1 469 . 42 ASP N N 119.3 . 1 470 . 43 THR H H 7.77 . 1 471 . 43 THR HA H 4.54 . 1 472 . 43 THR HB H 4.13 . 1 473 . 43 THR HG2 H 1.20 . 1 474 . 43 THR C C 174.6 . 1 475 . 43 THR CA C 61.4 . 1 476 . 43 THR CB C 70.1 . 1 477 . 43 THR CG2 C 21.1 . 1 478 . 43 THR N N 114.4 . 1 479 . 44 THR H H 8.36 . 1 480 . 44 THR HA H 4.53 . 1 481 . 44 THR HB H 4.59 . 1 482 . 44 THR HG2 H 1.34 . 1 483 . 44 THR C C 175.6 . 1 484 . 44 THR CA C 60.7 . 1 485 . 44 THR CB C 71.1 . 1 486 . 44 THR CG2 C 21.7 . 1 487 . 44 THR N N 114.4 . 1 488 . 45 GLU H H 8.72 . 1 489 . 45 GLU HA H 3.74 . 1 490 . 45 GLU HB2 H 1.86 . 1 491 . 45 GLU HB3 H 1.86 . 1 492 . 45 GLU HG2 H 1.94 . 2 493 . 45 GLU HG3 H 1.86 . 2 494 . 45 GLU C C 177.1 . 1 495 . 45 GLU CA C 59.5 . 1 496 . 45 GLU CB C 29.3 . 1 497 . 45 GLU CG C 36.7 . 1 498 . 45 GLU N N 122.7 . 1 499 . 46 LYS H H 7.98 . 1 500 . 46 LYS HA H 3.88 . 1 501 . 46 LYS HB2 H 1.85 . 1 502 . 46 LYS HB3 H 2.01 . 1 503 . 46 LYS HG2 H 1.72 . 2 504 . 46 LYS HG3 H 1.62 . 2 505 . 46 LYS HD2 H 1.85 . 1 506 . 46 LYS HD3 H 1.85 . 1 507 . 46 LYS HE2 H 3.12 . 1 508 . 46 LYS HE3 H 3.12 . 1 509 . 46 LYS C C 178.5 . 1 510 . 46 LYS CA C 60.5 . 1 511 . 46 LYS CB C 32.1 . 1 512 . 46 LYS CG C 26.0 . 1 513 . 46 LYS CD C 29.1 . 1 514 . 46 LYS CE C 41.8 . 1 515 . 46 LYS N N 116.1 . 1 516 . 47 GLU H H 7.53 . 1 517 . 47 GLU HA H 3.89 . 1 518 . 47 GLU HB2 H 2.20 . 1 519 . 47 GLU HB3 H 1.95 . 1 520 . 47 GLU HG2 H 2.24 . 1 521 . 47 GLU HG3 H 2.24 . 1 522 . 47 GLU C C 178.6 . 1 523 . 47 GLU CA C 59.8 . 1 524 . 47 GLU CB C 29.5 . 1 525 . 47 GLU CG C 37.2 . 1 526 . 47 GLU N N 117.7 . 1 527 . 48 THR H H 8.03 . 1 528 . 48 THR HA H 3.78 . 1 529 . 48 THR HB H 4.11 . 1 530 . 48 THR HG2 H 1.11 . 1 531 . 48 THR CA C 67.2 . 1 532 . 48 THR CB C 67.6 . 1 533 . 48 THR CG2 C 21.4 . 1 534 . 48 THR N N 117.9 . 1 535 . 49 PHE H H 8.30 . 1 536 . 49 PHE HA H 4.54 . 1 537 . 49 PHE HB2 H 3.20 . 1 538 . 49 PHE HB3 H 3.33 . 1 539 . 49 PHE HD1 H 6.93 . 1 540 . 49 PHE HD2 H 6.93 . 1 541 . 49 PHE HE1 H 7.25 . 1 542 . 49 PHE HE2 H 7.25 . 1 543 . 49 PHE HZ H 7.08 . 1 544 . 49 PHE C C 177.0 . 1 545 . 49 PHE CA C 58.5 . 1 546 . 49 PHE CB C 36.9 . 1 547 . 49 PHE CD1 C 129.8 . 1 548 . 49 PHE CD2 C 129.8 . 1 549 . 49 PHE CE1 C 131.1 . 1 550 . 49 PHE CE2 C 131.1 . 1 551 . 49 PHE CZ C 129.1 . 1 552 . 49 PHE N N 119.8 . 1 553 . 50 CYS H H 8.14 . 1 554 . 50 CYS HA H 4.02 . 1 555 . 50 CYS HB2 H 3.05 . 1 556 . 50 CYS HB3 H 3.31 . 1 557 . 50 CYS C C 177.7 . 1 558 . 50 CYS CA C 60.4 . 1 559 . 50 CYS CB C 40.7 . 1 560 . 50 CYS N N 119.2 . 1 561 . 51 ARG H H 9.01 . 1 562 . 51 ARG HA H 3.92 . 1 563 . 51 ARG HB2 H 1.70 . 1 564 . 51 ARG HB3 H 1.98 . 1 565 . 51 ARG HG2 H 2.10 . 1 566 . 51 ARG HG3 H 2.10 . 1 567 . 51 ARG HD2 H 3.24 . 2 568 . 51 ARG HD3 H 3.07 . 2 569 . 51 ARG C C 178.3 . 1 570 . 51 ARG CA C 60.1 . 1 571 . 51 ARG CB C 30.4 . 1 572 . 51 ARG CG C 28.6 . 1 573 . 51 ARG CD C 44.0 . 1 574 . 51 ARG N N 123.7 . 1 575 . 52 ALA H H 8.80 . 1 576 . 52 ALA HA H 4.25 . 1 577 . 52 ALA HB H 1.67 . 1 578 . 52 ALA C C 178.4 . 1 579 . 52 ALA CA C 55.3 . 1 580 . 52 ALA CB C 18.3 . 1 581 . 52 ALA N N 121.3 . 1 582 . 53 ALA H H 8.19 . 1 583 . 53 ALA HA H 4.04 . 1 584 . 53 ALA HB H 1.68 . 1 585 . 53 ALA C C 179.0 . 1 586 . 53 ALA CA C 55.7 . 1 587 . 53 ALA CB C 17.3 . 1 588 . 53 ALA N N 120.2 . 1 589 . 54 THR H H 8.18 . 1 590 . 54 THR HA H 3.85 . 1 591 . 54 THR HB H 4.58 . 1 592 . 54 THR HG2 H 1.30 . 1 593 . 54 THR C C 176.8 . 1 594 . 54 THR CA C 67.4 . 1 595 . 54 THR CB C 68.8 . 1 596 . 54 THR CG2 C 21.3 . 1 597 . 54 THR N N 113.8 . 1 598 . 55 VAL H H 8.24 . 1 599 . 55 VAL HA H 3.88 . 1 600 . 55 VAL HB H 2.26 . 1 601 . 55 VAL HG1 H 1.12 . 1 602 . 55 VAL HG2 H 0.82 . 1 603 . 55 VAL C C 179.1 . 1 604 . 55 VAL CA C 66.3 . 1 605 . 55 VAL CB C 31.6 . 1 606 . 55 VAL CG1 C 22.6 . 1 607 . 55 VAL CG2 C 21.6 . 1 608 . 55 VAL N N 120.5 . 1 609 . 56 LEU H H 8.15 . 1 610 . 56 LEU HA H 4.04 . 1 611 . 56 LEU HB2 H 2.27 . 1 612 . 56 LEU HB3 H 1.47 . 1 613 . 56 LEU HG H 2.20 . 1 614 . 56 LEU HD1 H 0.97 . 1 615 . 56 LEU HD2 H 0.85 . 1 616 . 56 LEU C C 177.4 . 1 617 . 56 LEU CA C 58.1 . 1 618 . 56 LEU CB C 41.5 . 1 619 . 56 LEU CG C 26.3 . 1 620 . 56 LEU CD1 C 26.6 . 1 621 . 56 LEU CD2 C 23.5 . 1 622 . 56 LEU N N 121.0 . 1 623 . 57 ARG H H 8.32 . 1 624 . 57 ARG HA H 3.17 . 1 625 . 57 ARG HB2 H 2.11 . 2 626 . 57 ARG HB3 H 1.80 . 2 627 . 57 ARG HG2 H 1.53 . 2 628 . 57 ARG HG3 H 1.34 . 2 629 . 57 ARG HD2 H 3.25 . 2 630 . 57 ARG HD3 H 3.07 . 2 631 . 57 ARG C C 179.9 . 1 632 . 57 ARG CA C 58.4 . 1 633 . 57 ARG CB C 29.8 . 1 634 . 57 ARG CG C 25.6 . 1 635 . 57 ARG CD C 44.0 . 1 636 . 57 ARG N N 120.2 . 1 637 . 58 GLN H H 8.09 . 1 638 . 58 GLN HA H 3.87 . 1 639 . 58 GLN HB2 H 2.11 . 1 640 . 58 GLN HB3 H 2.33 . 1 641 . 58 GLN HG2 H 2.33 . 2 642 . 58 GLN HG3 H 2.11 . 2 643 . 58 GLN HE21 H 7.25 . 2 644 . 58 GLN HE22 H 6.76 . 2 645 . 58 GLN C C 178.0 . 1 646 . 58 GLN CA C 58.8 . 1 647 . 58 GLN CB C 27.9 . 1 648 . 58 GLN CG C 33.6 . 1 649 . 58 GLN N N 120.6 . 1 650 . 58 GLN NE2 N 110.2 . 1 651 . 59 PHE H H 8.04 . 1 652 . 59 PHE HA H 4.37 . 1 653 . 59 PHE HB2 H 3.19 . 1 654 . 59 PHE HB3 H 3.49 . 1 655 . 59 PHE HD1 H 7.15 . 1 656 . 59 PHE HD2 H 7.15 . 1 657 . 59 PHE HE1 H 6.99 . 1 658 . 59 PHE HE2 H 6.99 . 1 659 . 59 PHE HZ H 7.35 . 1 660 . 59 PHE C C 179.1 . 1 661 . 59 PHE CA C 62.7 . 1 662 . 59 PHE CB C 38.7 . 1 663 . 59 PHE CD1 C 132.1 . 1 664 . 59 PHE CD2 C 132.1 . 1 665 . 59 PHE CE1 C 131.0 . 1 666 . 59 PHE CE2 C 131.0 . 1 667 . 59 PHE CZ C 118.7 . 1 668 . 59 PHE N N 119.2 . 1 669 . 60 TYR H H 9.24 . 1 670 . 60 TYR HA H 4.31 . 1 671 . 60 TYR HB2 H 2.95 . 1 672 . 60 TYR HB3 H 3.51 . 1 673 . 60 TYR HD1 H 6.98 . 1 674 . 60 TYR HD2 H 6.98 . 1 675 . 60 TYR HE1 H 6.86 . 1 676 . 60 TYR HE2 H 6.86 . 1 677 . 60 TYR C C 177.6 . 1 678 . 60 TYR CA C 60.8 . 1 679 . 60 TYR CB C 37.7 . 1 680 . 60 TYR CD1 C 135.0 . 1 681 . 60 TYR CD2 C 135.0 . 1 682 . 60 TYR CE1 C 118.3 . 1 683 . 60 TYR CE2 C 118.3 . 1 684 . 60 TYR N N 117.1 . 1 685 . 61 SER H H 7.97 . 1 686 . 61 SER HA H 4.46 . 1 687 . 61 SER HB2 H 3.84 . 1 688 . 61 SER HB3 H 3.77 . 1 689 . 61 SER C C 176.1 . 1 690 . 61 SER CA C 61.5 . 1 691 . 61 SER CB C 62.5 . 1 692 . 61 SER N N 118.9 . 1 693 . 62 HIS H H 7.55 . 1 694 . 62 HIS HA H 4.61 . 1 695 . 62 HIS HB2 H 2.81 . 2 696 . 62 HIS HB3 H 2.72 . 2 697 . 62 HIS HD2 H 7.10 . 1 698 . 62 HIS HE1 H 8.41 . 1 699 . 62 HIS C C 176.4 . 1 700 . 62 HIS CA C 56.5 . 1 701 . 62 HIS CB C 29.5 . 1 702 . 62 HIS CD2 C 119.3 . 1 703 . 62 HIS CE1 C 136.2 . 1 704 . 62 HIS N N 117.4 . 1 705 . 63 HIS H H 7.92 . 1 706 . 63 HIS HA H 5.08 . 1 707 . 63 HIS HB2 H 2.29 . 1 708 . 63 HIS HB3 H 3.47 . 1 709 . 63 HIS HD2 H 6.07 . 1 710 . 63 HIS HE1 H 8.50 . 1 711 . 63 HIS C C 175.1 . 1 712 . 63 HIS CA C 55.3 . 1 713 . 63 HIS CB C 28.5 . 1 714 . 63 HIS CD2 C 122.2 . 1 715 . 63 HIS CE1 C 137.5 . 1 716 . 63 HIS N N 111.4 . 1 717 . 64 GLU H H 8.09 . 1 718 . 64 GLU HA H 4.00 . 1 719 . 64 GLU HB2 H 2.60 . 2 720 . 64 GLU HB3 H 2.15 . 2 721 . 64 GLU HG2 H 2.30 . 1 722 . 64 GLU HG3 H 2.30 . 1 723 . 64 GLU C C 176.9 . 1 724 . 64 GLU CA C 61.2 . 1 725 . 64 GLU CB C 28.8 . 1 726 . 64 GLU CG C 36.0 . 1 727 . 64 GLU N N 124.3 . 1 728 . 65 LYS H H 8.59 . 1 729 . 65 LYS HA H 4.54 . 1 730 . 65 LYS HB2 H 2.12 . 2 731 . 65 LYS HB3 H 1.63 . 2 732 . 65 LYS HG2 H 1.37 . 1 733 . 65 LYS HG3 H 1.37 . 1 734 . 65 LYS HD2 H 1.73 . 1 735 . 65 LYS HD3 H 1.73 . 1 736 . 65 LYS HE2 H 3.00 . 1 737 . 65 LYS HE3 H 3.00 . 1 738 . 65 LYS C C 174.9 . 1 739 . 65 LYS CA C 54.3 . 1 740 . 65 LYS CB C 31.5 . 1 741 . 65 LYS CG C 25.1 . 1 742 . 65 LYS CD C 29.1 . 1 743 . 65 LYS CE C 41.8 . 1 744 . 65 LYS N N 116.3 . 1 745 . 66 ASP H H 6.61 . 1 746 . 66 ASP HA H 4.64 . 1 747 . 66 ASP HB2 H 2.73 . 1 748 . 66 ASP HB3 H 3.02 . 1 749 . 66 ASP C C 177.7 . 1 750 . 66 ASP CA C 53.4 . 1 751 . 66 ASP CB C 42.4 . 1 752 . 66 ASP N N 119.2 . 1 753 . 67 THR H H 8.80 . 1 754 . 67 THR HA H 3.93 . 1 755 . 67 THR HB H 4.30 . 1 756 . 67 THR HG2 H 1.37 . 1 757 . 67 THR C C 176.7 . 1 758 . 67 THR CA C 65.3 . 1 759 . 67 THR CB C 68.5 . 1 760 . 67 THR CG2 C 21.9 . 1 761 . 67 THR N N 122.5 . 1 762 . 68 ARG H H 8.50 . 1 763 . 68 ARG HA H 4.13 . 1 764 . 68 ARG HB2 H 1.89 . 1 765 . 68 ARG HB3 H 1.89 . 1 766 . 68 ARG HG2 H 1.75 . 2 767 . 68 ARG HG3 H 1.73 . 2 768 . 68 ARG HD2 H 3.31 . 2 769 . 68 ARG HD3 H 3.22 . 2 770 . 68 ARG C C 177.6 . 1 771 . 68 ARG CA C 58.5 . 1 772 . 68 ARG CB C 29.9 . 1 773 . 68 ARG CG C 26.9 . 1 774 . 68 ARG CD C 43.3 . 1 775 . 68 ARG N N 121.5 . 1 776 . 69 CYS H H 7.46 . 1 777 . 69 CYS HA H 4.40 . 1 778 . 69 CYS HB2 H 3.11 . 1 779 . 69 CYS HB3 H 3.11 . 1 780 . 69 CYS C C 174.6 . 1 781 . 69 CYS CA C 56.5 . 1 782 . 69 CYS N N 113.3 . 1 783 . 70 LEU H H 7.37 . 1 784 . 70 LEU HA H 3.79 . 1 785 . 70 LEU HB2 H 1.49 . 1 786 . 70 LEU HB3 H 1.65 . 1 787 . 70 LEU HG H 1.49 . 1 788 . 70 LEU HD1 H 0.76 . 1 789 . 70 LEU HD2 H 0.76 . 1 790 . 70 LEU C C 176.3 . 1 791 . 70 LEU CA C 57.2 . 1 792 . 70 LEU CB C 42.6 . 1 793 . 70 LEU CG C 26.8 . 1 794 . 70 LEU CD1 C 25.1 . 1 795 . 70 LEU CD2 C 23.9 . 1 796 . 70 LEU N N 119.2 . 1 797 . 71 GLY H H 7.09 . 1 798 . 71 GLY HA2 H 3.98 . 2 799 . 71 GLY HA3 H 3.72 . 2 800 . 71 GLY C C 173.8 . 1 801 . 71 GLY CA C 45.2 . 1 802 . 71 GLY N N 99.1 . 1 803 . 72 ALA H H 8.40 . 1 804 . 72 ALA HA H 4.75 . 1 805 . 72 ALA HB H 1.48 . 1 806 . 72 ALA C C 177.7 . 1 807 . 72 ALA CA C 52.1 . 1 808 . 72 ALA CB C 21.2 . 1 809 . 72 ALA N N 120.7 . 1 810 . 73 THR H H 7.58 . 1 811 . 73 THR HA H 4.75 . 1 812 . 73 THR HB H 4.70 . 1 813 . 73 THR HG2 H 1.28 . 1 814 . 73 THR C C 174.8 . 1 815 . 73 THR CA C 58.8 . 1 816 . 73 THR CB C 72.4 . 1 817 . 73 THR CG2 C 21.4 . 1 818 . 73 THR N N 107.1 . 1 819 . 74 ALA H H 7.87 . 1 820 . 74 ALA HA H 4.17 . 1 821 . 74 ALA HB H 1.50 . 1 822 . 74 ALA C C 180.2 . 1 823 . 74 ALA CA C 55.0 . 1 824 . 74 ALA CB C 17.8 . 1 825 . 74 ALA N N 124.6 . 1 826 . 75 GLN H H 8.52 . 1 827 . 75 GLN HA H 4.26 . 1 828 . 75 GLN HB2 H 2.20 . 1 829 . 75 GLN HB3 H 2.10 . 1 830 . 75 GLN HG2 H 2.51 . 1 831 . 75 GLN HG3 H 2.51 . 1 832 . 75 GLN HE21 H 7.53 . 2 833 . 75 GLN HE22 H 6.93 . 2 834 . 75 GLN C C 178.9 . 1 835 . 75 GLN CA C 59.3 . 1 836 . 75 GLN CB C 28.3 . 1 837 . 75 GLN CG C 34.1 . 1 838 . 75 GLN N N 117.0 . 1 839 . 75 GLN NE2 N 111.6 . 1 840 . 76 GLN H H 7.81 . 1 841 . 76 GLN HA H 4.17 . 1 842 . 76 GLN HB2 H 2.35 . 1 843 . 76 GLN HB3 H 2.35 . 1 844 . 76 GLN HG2 H 2.55 . 1 845 . 76 GLN HG3 H 2.55 . 1 846 . 76 GLN HE21 H 7.56 . 2 847 . 76 GLN HE22 H 7.07 . 2 848 . 76 GLN C C 178.7 . 1 849 . 76 GLN CA C 59.1 . 1 850 . 76 GLN CB C 28.4 . 1 851 . 76 GLN CG C 34.6 . 1 852 . 76 GLN N N 119.5 . 1 853 . 76 GLN NE2 N 112.5 . 1 854 . 77 PHE H H 8.42 . 1 855 . 77 PHE HA H 4.61 . 1 856 . 77 PHE HB2 H 3.51 . 1 857 . 77 PHE HB3 H 3.29 . 1 858 . 77 PHE HD1 H 7.20 . 1 859 . 77 PHE HD2 H 7.20 . 1 860 . 77 PHE HE1 H 7.37 . 1 861 . 77 PHE HE2 H 7.37 . 1 862 . 77 PHE HZ H 7.32 . 1 863 . 77 PHE C C 178.1 . 1 864 . 77 PHE CA C 60.4 . 1 865 . 77 PHE CB C 38.5 . 1 866 . 77 PHE CD1 C 128.5 . 1 867 . 77 PHE CD2 C 128.5 . 1 868 . 77 PHE N N 123.0 . 1 869 . 78 HIS H H 8.45 . 1 870 . 78 HIS HA H 4.30 . 1 871 . 78 HIS HB2 H 3.36 . 1 872 . 78 HIS HB3 H 3.36 . 1 873 . 78 HIS HD2 H 7.18 . 1 874 . 78 HIS HE1 H 8.14 . 1 875 . 78 HIS C C 177.9 . 1 876 . 78 HIS CA C 59.6 . 1 877 . 78 HIS CB C 29.6 . 1 878 . 78 HIS CD2 C 119.6 . 1 879 . 78 HIS CE1 C 137.8 . 1 880 . 78 HIS N N 117.7 . 1 881 . 79 ARG H H 8.19 . 1 882 . 79 ARG HA H 4.09 . 1 883 . 79 ARG HB2 H 2.12 . 1 884 . 79 ARG HB3 H 2.12 . 1 885 . 79 ARG HG2 H 2.03 . 2 886 . 79 ARG HG3 H 1.82 . 2 887 . 79 ARG HD2 H 3.31 . 1 888 . 79 ARG HD3 H 3.31 . 1 889 . 79 ARG C C 179.2 . 1 890 . 79 ARG CA C 59.5 . 1 891 . 79 ARG CG C 27.9 . 1 892 . 79 ARG CD C 43.6 . 1 893 . 79 ARG N N 118.8 . 1 894 . 80 HIS H H 8.31 . 1 895 . 80 HIS HA H 4.64 . 1 896 . 80 HIS HB2 H 3.35 . 1 897 . 80 HIS HB3 H 3.24 . 1 898 . 80 HIS HD2 H 6.93 . 1 899 . 80 HIS HE1 H 7.72 . 1 900 . 80 HIS C C 176.8 . 1 901 . 80 HIS CA C 59.8 . 1 902 . 80 HIS CB C 30.7 . 1 903 . 80 HIS CD2 C 117.7 . 1 904 . 80 HIS CE1 C 137.5 . 1 905 . 80 HIS N N 120.5 . 1 906 . 81 LYS H H 8.13 . 1 907 . 81 LYS HA H 3.68 . 1 908 . 81 LYS HB2 H 1.86 . 1 909 . 81 LYS HB3 H 1.70 . 1 910 . 81 LYS HG2 H 1.42 . 2 911 . 81 LYS HG3 H 1.26 . 2 912 . 81 LYS HD2 H 1.56 . 1 913 . 81 LYS HD3 H 1.56 . 1 914 . 81 LYS HE2 H 2.85 . 2 915 . 81 LYS HE3 H 2.74 . 2 916 . 81 LYS C C 179.9 . 1 917 . 81 LYS CA C 59.4 . 1 918 . 81 LYS CB C 31.4 . 1 919 . 81 LYS CG C 24.8 . 1 920 . 81 LYS CD C 28.7 . 1 921 . 81 LYS CE C 41.7 . 1 922 . 81 LYS N N 117.3 . 1 923 . 82 GLN H H 7.91 . 1 924 . 82 GLN HA H 3.79 . 1 925 . 82 GLN HB2 H 2.01 . 2 926 . 82 GLN HB3 H 1.93 . 2 927 . 82 GLN HG2 H 1.98 . 1 928 . 82 GLN HG3 H 1.98 . 1 929 . 82 GLN HE21 H 7.07 . 2 930 . 82 GLN HE22 H 6.81 . 2 931 . 82 GLN C C 176.6 . 1 932 . 82 GLN CA C 58.5 . 1 933 . 82 GLN CB C 28.7 . 1 934 . 82 GLN CG C 33.9 . 1 935 . 82 GLN N N 118.3 . 1 936 . 82 GLN NE2 N 111.8 . 1 937 . 83 LEU H H 7.92 . 1 938 . 83 LEU HA H 4.08 . 1 939 . 83 LEU HB2 H 1.76 . 1 940 . 83 LEU HB3 H 2.23 . 1 941 . 83 LEU HG H 1.53 . 1 942 . 83 LEU HD1 H 1.02 . 1 943 . 83 LEU HD2 H 0.94 . 1 944 . 83 LEU C C 178.5 . 1 945 . 83 LEU CA C 58.9 . 1 946 . 83 LEU CB C 40.8 . 1 947 . 83 LEU CG C 27.5 . 1 948 . 83 LEU CD1 C 25.7 . 1 949 . 83 LEU CD2 C 24.2 . 1 950 . 83 LEU N N 121.5 . 1 951 . 84 ILE H H 8.10 . 1 952 . 84 ILE HA H 3.60 . 1 953 . 84 ILE HB H 2.09 . 1 954 . 84 ILE HG12 H 1.40 . 2 955 . 84 ILE HG13 H 1.08 . 2 956 . 84 ILE HG2 H 0.79 . 1 957 . 84 ILE HD1 H 0.74 . 1 958 . 84 ILE C C 177.4 . 1 959 . 84 ILE CA C 62.0 . 1 960 . 84 ILE CB C 34.5 . 1 961 . 84 ILE CG2 C 17.5 . 1 962 . 84 ILE CD1 C 8.00 . 1 963 . 84 ILE N N 116.4 . 1 964 . 85 ARG H H 7.84 . 1 965 . 85 ARG HA H 3.82 . 1 966 . 85 ARG HB2 H 1.80 . 1 967 . 85 ARG HB3 H 1.80 . 1 968 . 85 ARG HG2 H 1.68 . 2 969 . 85 ARG HG3 H 1.41 . 2 970 . 85 ARG HD2 H 3.09 . 1 971 . 85 ARG HD3 H 3.09 . 1 972 . 85 ARG C C 179.8 . 1 973 . 85 ARG CA C 59.9 . 1 974 . 85 ARG CB C 29.8 . 1 975 . 85 ARG CG C 27.4 . 1 976 . 85 ARG CD C 43.5 . 1 977 . 85 ARG N N 119.2 . 1 978 . 86 PHE H H 8.50 . 1 979 . 86 PHE HA H 4.50 . 1 980 . 86 PHE HB2 H 3.45 . 1 981 . 86 PHE HB3 H 3.01 . 1 982 . 86 PHE HD1 H 7.20 . 1 983 . 86 PHE HD2 H 7.20 . 1 984 . 86 PHE HE1 H 7.37 . 1 985 . 86 PHE HE2 H 7.37 . 1 986 . 86 PHE HZ H 7.35 . 1 987 . 86 PHE C C 178.3 . 1 988 . 86 PHE CA C 59.5 . 1 989 . 86 PHE CB C 38.1 . 1 990 . 86 PHE CD1 C 130.8 . 1 991 . 86 PHE CD2 C 130.8 . 1 992 . 86 PHE CE1 C 131.7 . 1 993 . 86 PHE CE2 C 131.7 . 1 994 . 86 PHE CZ C 130.0 . 1 995 . 86 PHE N N 118.8 . 1 996 . 87 LEU H H 8.79 . 1 997 . 87 LEU HA H 4.16 . 1 998 . 87 LEU HB2 H 2.29 . 1 999 . 87 LEU HB3 H 1.62 . 1 1000 . 87 LEU HG H 2.37 . 1 1001 . 87 LEU HD1 H 1.10 . 1 1002 . 87 LEU HD2 H 1.02 . 1 1003 . 87 LEU C C 179.0 . 1 1004 . 87 LEU CA C 58.4 . 1 1005 . 87 LEU CB C 42.6 . 1 1006 . 87 LEU CG C 26.3 . 1 1007 . 87 LEU CD1 C 27.5 . 1 1008 . 87 LEU CD2 C 23.5 . 1 1009 . 87 LEU N N 120.1 . 1 1010 . 88 LYS H H 8.18 . 1 1011 . 88 LYS HA H 3.84 . 1 1012 . 88 LYS HB2 H 1.63 . 1 1013 . 88 LYS HB3 H 1.63 . 1 1014 . 88 LYS HG2 H 0.80 . 2 1015 . 88 LYS HG3 H 0.18 . 2 1016 . 88 LYS HD2 H 1.38 . 2 1017 . 88 LYS HD3 H 1.31 . 2 1018 . 88 LYS HE2 H 2.62 . 2 1019 . 88 LYS HE3 H 2.36 . 2 1020 . 88 LYS C C 179.3 . 1 1021 . 88 LYS CA C 60.2 . 1 1022 . 88 LYS CB C 32.3 . 1 1023 . 88 LYS CG C 25.2 . 1 1024 . 88 LYS CD C 29.5 . 1 1025 . 88 LYS CE C 41.8 . 1 1026 . 88 LYS N N 118.8 . 1 1027 . 89 ARG H H 7.64 . 1 1028 . 89 ARG HA H 4.06 . 1 1029 . 89 ARG HB2 H 2.03 . 1 1030 . 89 ARG HB3 H 2.03 . 1 1031 . 89 ARG HG2 H 1.80 . 2 1032 . 89 ARG HG3 H 1.67 . 2 1033 . 89 ARG HD2 H 3.17 . 1 1034 . 89 ARG HD3 H 3.17 . 1 1035 . 89 ARG C C 178.4 . 1 1036 . 89 ARG CA C 58.9 . 1 1037 . 89 ARG CB C 30.3 . 1 1038 . 89 ARG CG C 26.7 . 1 1039 . 89 ARG CD C 43.6 . 1 1040 . 89 ARG N N 120.3 . 1 1041 . 90 LEU H H 8.51 . 1 1042 . 90 LEU HA H 4.14 . 1 1043 . 90 LEU HB2 H 1.84 . 1 1044 . 90 LEU HB3 H 1.75 . 1 1045 . 90 LEU HG H 1.72 . 1 1046 . 90 LEU HD1 H 0.89 . 2 1047 . 90 LEU HD2 H 0.84 . 2 1048 . 90 LEU C C 177.8 . 1 1049 . 90 LEU CA C 58.0 . 1 1050 . 90 LEU CB C 42.2 . 1 1051 . 90 LEU CG C 26.5 . 1 1052 . 90 LEU CD1 C 26.8 . 2 1053 . 90 LEU CD2 C 24.9 . 2 1054 . 90 LEU N N 120.2 . 1 1055 . 91 ASP H H 8.35 . 1 1056 . 91 ASP HA H 4.33 . 1 1057 . 91 ASP HB2 H 3.33 . 2 1058 . 91 ASP HB3 H 3.19 . 2 1059 . 91 ASP C C 175.7 . 1 1060 . 91 ASP CA C 57.6 . 1 1061 . 91 ASP CB C 41.8 . 1 1062 . 91 ASP N N 117.3 . 1 1063 . 92 ARG H H 7.57 . 1 1064 . 92 ARG HA H 4.10 . 1 1065 . 92 ARG HB2 H 1.99 . 1 1066 . 92 ARG HB3 H 2.03 . 1 1067 . 92 ARG HG2 H 1.81 . 2 1068 . 92 ARG HG3 H 1.78 . 2 1069 . 92 ARG HD2 H 3.24 . 1 1070 . 92 ARG HD3 H 3.24 . 1 1071 . 92 ARG C C 179.9 . 1 1072 . 92 ARG CA C 59.3 . 1 1073 . 92 ARG CB C 29.7 . 1 1074 . 92 ARG CG C 27.2 . 1 1075 . 92 ARG CD C 43.1 . 1 1076 . 92 ARG N N 114.9 . 1 1077 . 93 ASN H H 8.24 . 1 1078 . 93 ASN HA H 4.62 . 1 1079 . 93 ASN HB2 H 2.75 . 1 1080 . 93 ASN HB3 H 2.49 . 1 1081 . 93 ASN HD21 H 7.21 . 2 1082 . 93 ASN HD22 H 6.85 . 2 1083 . 93 ASN C C 177.5 . 1 1084 . 93 ASN CA C 56.2 . 1 1085 . 93 ASN CB C 39.5 . 1 1086 . 93 ASN N N 116.8 . 1 1087 . 93 ASN ND2 N 112.5 . 1 1088 . 94 LEU H H 8.83 . 1 1089 . 94 LEU HA H 3.88 . 1 1090 . 94 LEU HB2 H 2.19 . 1 1091 . 94 LEU HB3 H 1.63 . 1 1092 . 94 LEU HG H 1.79 . 1 1093 . 94 LEU HD1 H 0.88 . 1 1094 . 94 LEU HD2 H 0.69 . 1 1095 . 94 LEU C C 178.4 . 1 1096 . 94 LEU CA C 58.3 . 1 1097 . 94 LEU CB C 42.4 . 1 1098 . 94 LEU CG C 27.3 . 1 1099 . 94 LEU CD1 C 26.4 . 1 1100 . 94 LEU CD2 C 23.5 . 1 1101 . 94 LEU N N 121.8 . 1 1102 . 95 TRP H H 9.15 . 1 1103 . 95 TRP HA H 4.29 . 1 1104 . 95 TRP HB2 H 3.43 . 2 1105 . 95 TRP HB3 H 3.39 . 2 1106 . 95 TRP HD1 H 7.28 . 1 1107 . 95 TRP HE1 H 9.97 . 1 1108 . 95 TRP HE3 H 7.60 . 1 1109 . 95 TRP HZ2 H 7.44 . 3 1110 . 95 TRP HZ3 H 7.27 . 3 1111 . 95 TRP HH2 H 7.20 . 1 1112 . 95 TRP C C 180.2 . 1 1113 . 95 TRP CA C 60.5 . 1 1114 . 95 TRP CB C 29.1 . 1 1115 . 95 TRP CD1 C 127.5 . 1 1116 . 95 TRP CE3 C 120.2 . 1 1117 . 95 TRP CZ2 C 114.9 . 1 1118 . 95 TRP CZ3 C 123.0 . 1 1119 . 95 TRP CH2 C 124.8 . 1 1120 . 95 TRP N N 119.2 . 1 1121 . 95 TRP NE1 N 129.3 . 1 1122 . 96 GLY H H 8.06 . 1 1123 . 96 GLY HA2 H 4.03 . 2 1124 . 96 GLY HA3 H 3.85 . 2 1125 . 96 GLY C C 175.8 . 1 1126 . 96 GLY CA C 46.6 . 1 1127 . 96 GLY N N 105.7 . 1 1128 . 97 LEU H H 7.69 . 1 1129 . 97 LEU HA H 4.20 . 1 1130 . 97 LEU HB2 H 1.58 . 1 1131 . 97 LEU HB3 H 1.65 . 1 1132 . 97 LEU HG H 1.67 . 1 1133 . 97 LEU HD1 H 0.58 . 1 1134 . 97 LEU HD2 H 0.58 . 1 1135 . 97 LEU C C 178.6 . 1 1136 . 97 LEU CA C 56.6 . 1 1137 . 97 LEU CB C 42.7 . 1 1138 . 97 LEU CG C 26.5 . 1 1139 . 97 LEU CD1 C 24.2 . 1 1140 . 97 LEU CD2 C 24.8 . 1 1141 . 97 LEU N N 121.2 . 1 1142 . 98 ALA H H 7.95 . 1 1143 . 98 ALA HA H 4.26 . 1 1144 . 98 ALA HB H 1.61 . 1 1145 . 98 ALA C C 178.0 . 1 1146 . 98 ALA CA C 54.1 . 1 1147 . 98 ALA CB C 20.1 . 1 1148 . 98 ALA N N 119.6 . 1 1149 . 99 GLY H H 7.57 . 1 1150 . 99 GLY HA2 H 3.82 . 2 1151 . 99 GLY HA3 H 3.70 . 2 1152 . 99 GLY C C 174.0 . 1 1153 . 99 GLY CA C 46.2 . 1 1154 . 99 GLY N N 101.7 . 1 1155 . 100 LEU H H 7.54 . 1 1156 . 100 LEU HA H 4.41 . 1 1157 . 100 LEU HB2 H 1.45 . 1 1158 . 100 LEU HB3 H 1.45 . 1 1159 . 100 LEU HG H 1.49 . 1 1160 . 100 LEU HD1 H 0.85 . 1 1161 . 100 LEU HD2 H 0.85 . 1 1162 . 100 LEU C C 176.1 . 1 1163 . 100 LEU CA C 53.6 . 1 1164 . 100 LEU CB C 44.2 . 1 1165 . 100 LEU CG C 26.8 . 1 1166 . 100 LEU CD1 C 24.8 . 2 1167 . 100 LEU CD2 C 23.4 . 2 1168 . 100 LEU N N 118.4 . 1 1169 . 101 ASN H H 8.43 . 1 1170 . 101 ASN HA H 4.88 . 1 1171 . 101 ASN HB2 H 2.74 . 1 1172 . 101 ASN HB3 H 2.74 . 1 1173 . 101 ASN HD21 H 7.21 . 2 1174 . 101 ASN HD22 H 6.95 . 2 1175 . 101 ASN C C 175.2 . 1 1176 . 101 ASN CA C 53.7 . 1 1177 . 101 ASN CB C 39.6 . 1 1178 . 101 ASN N N 116.9 . 1 1179 . 101 ASN ND2 N 108.5 . 1 1180 . 102 SER H H 7.50 . 1 1181 . 102 SER HA H 4.67 . 1 1182 . 102 SER HB2 H 3.83 . 1 1183 . 102 SER HB3 H 3.83 . 1 1184 . 102 SER C C 173.1 . 1 1185 . 102 SER CA C 57.4 . 1 1186 . 102 SER CB C 63.8 . 1 1187 . 102 SER N N 111.8 . 1 1188 . 103 CYS H H 8.92 . 1 1189 . 103 CYS HA H 5.00 . 1 1190 . 103 CYS HB2 H 3.52 . 2 1191 . 103 CYS HB3 H 3.10 . 2 1192 . 103 CYS C C 170.5 . 1 1193 . 103 CYS CA C 54.4 . 1 1194 . 103 CYS CB C 47.3 . 1 1195 . 103 CYS N N 118.7 . 1 1196 . 104 PRO HA H 4.34 . 1 1197 . 104 PRO HB2 H 1.81 . 1 1198 . 104 PRO HB3 H 2.26 . 1 1199 . 104 PRO HG2 H 2.04 . 2 1200 . 104 PRO HG3 H 1.95 . 2 1201 . 104 PRO HD2 H 3.70 . 2 1202 . 104 PRO HD3 H 3.61 . 2 1203 . 104 PRO C C 176.7 . 1 1204 . 104 PRO CA C 63.2 . 1 1205 . 104 PRO CB C 32.1 . 1 1206 . 104 PRO CG C 27.4 . 1 1207 . 104 PRO CD C 50.1 . 1 1208 . 104 PRO N N 106.0 . 1 1209 . 105 VAL H H 8.39 . 1 1210 . 105 VAL HA H 4.15 . 1 1211 . 105 VAL HB H 1.96 . 1 1212 . 105 VAL HG1 H 1.01 . 2 1213 . 105 VAL HG2 H 0.84 . 2 1214 . 105 VAL C C 175.4 . 1 1215 . 105 VAL CA C 61.4 . 1 1216 . 105 VAL CB C 34.0 . 1 1217 . 105 VAL CG1 C 21.3 . 2 1218 . 105 VAL CG2 C 21.5 . 2 1219 . 105 VAL N N 122.7 . 1 1220 . 106 LYS H H 8.43 . 1 1221 . 106 LYS HA H 4.40 . 1 1222 . 106 LYS HB2 H 1.81 . 2 1223 . 106 LYS HB3 H 1.69 . 2 1224 . 106 LYS HG2 H 1.38 . 1 1225 . 106 LYS HG3 H 1.38 . 1 1226 . 106 LYS HD2 H 1.67 . 1 1227 . 106 LYS HD3 H 1.67 . 1 1228 . 106 LYS HE2 H 3.00 . 1 1229 . 106 LYS HE3 H 3.00 . 1 1230 . 106 LYS C C 175.8 . 1 1231 . 106 LYS CA C 55.4 . 1 1232 . 106 LYS CB C 33.0 . 1 1233 . 106 LYS CG C 24.6 . 1 1234 . 106 LYS CD C 28.9 . 1 1235 . 106 LYS CE C 41.8 . 1 1236 . 106 LYS N N 128.1 . 1 1237 . 107 GLU H H 8.39 . 1 1238 . 107 GLU HA H 4.18 . 1 1239 . 107 GLU HB2 H 1.90 . 1 1240 . 107 GLU HB3 H 1.99 . 1 1241 . 107 GLU HG2 H 2.28 . 1 1242 . 107 GLU HG3 H 2.28 . 1 1243 . 107 GLU C C 175.6 . 1 1244 . 107 GLU CA C 57.3 . 1 1245 . 107 GLU CB C 29.7 . 1 1246 . 107 GLU CG C 36.1 . 1 1247 . 107 GLU N N 123.3 . 1 1248 . 108 ALA H H 7.95 . 1 1249 . 108 ALA HA H 4.49 . 1 1250 . 108 ALA HB H 1.40 . 1 1251 . 108 ALA C C 176.7 . 1 1252 . 108 ALA CA C 51.8 . 1 1253 . 108 ALA CB C 20.1 . 1 1254 . 108 ALA N N 125.3 . 1 1255 . 109 ASP H H 8.03 . 1 1256 . 109 ASP HA H 4.63 . 1 1257 . 109 ASP HB2 H 2.65 . 1 1258 . 109 ASP HB3 H 2.83 . 1 1259 . 109 ASP C C 175.3 . 1 1260 . 109 ASP CA C 55.0 . 1 1261 . 109 ASP CB C 41.4 . 1 1262 . 109 ASP N N 119.8 . 1 1263 . 110 GLN H H 8.71 . 1 1264 . 110 GLN HA H 5.10 . 1 1265 . 110 GLN HB2 H 2.04 . 1 1266 . 110 GLN HB3 H 2.04 . 1 1267 . 110 GLN HG2 H 2.37 . 1 1268 . 110 GLN HG3 H 2.37 . 1 1269 . 110 GLN HE21 H 7.33 . 2 1270 . 110 GLN HE22 H 6.60 . 2 1271 . 110 GLN C C 176.1 . 1 1272 . 110 GLN CA C 54.7 . 1 1273 . 110 GLN CB C 32.4 . 1 1274 . 110 GLN CG C 33.9 . 1 1275 . 110 GLN N N 118.7 . 1 1276 . 110 GLN NE2 N 113.7 . 1 1277 . 111 SER H H 9.12 . 1 1278 . 111 SER HA H 5.05 . 1 1279 . 111 SER HB2 H 3.72 . 1 1280 . 111 SER HB3 H 4.00 . 1 1281 . 111 SER C C 174.2 . 1 1282 . 111 SER CA C 55.9 . 1 1283 . 111 SER CB C 66.7 . 1 1284 . 111 SER N N 115.9 . 1 1285 . 112 THR H H 8.93 . 1 1286 . 112 THR HA H 4.46 . 1 1287 . 112 THR HB H 4.75 . 1 1288 . 112 THR HG2 H 1.42 . 1 1289 . 112 THR C C 176.7 . 1 1290 . 112 THR CA C 62.1 . 1 1291 . 112 THR CB C 70.4 . 1 1292 . 112 THR CG2 C 22.2 . 1 1293 . 112 THR N N 113.6 . 1 1294 . 113 LEU H H 8.90 . 1 1295 . 113 LEU HA H 4.00 . 1 1296 . 113 LEU HB2 H 0.97 . 1 1297 . 113 LEU HB3 H 1.80 . 1 1298 . 113 LEU HG H 1.37 . 1 1299 . 113 LEU HD1 H 0.35 . 1 1300 . 113 LEU HD2 H 0.18 . 1 1301 . 113 LEU C C 178.4 . 1 1302 . 113 LEU CA C 58.2 . 1 1303 . 113 LEU CB C 39.5 . 1 1304 . 113 LEU CG C 26.2 . 1 1305 . 113 LEU CD1 C 22.6 . 1 1306 . 113 LEU CD2 C 25.5 . 1 1307 . 113 LEU N N 125.3 . 1 1308 . 114 GLU H H 8.52 . 1 1309 . 114 GLU HA H 3.97 . 1 1310 . 114 GLU HB2 H 2.10 . 1 1311 . 114 GLU HB3 H 1.97 . 1 1312 . 114 GLU HG2 H 2.37 . 1 1313 . 114 GLU HG3 H 2.37 . 1 1314 . 114 GLU C C 177.6 . 1 1315 . 114 GLU CA C 59.8 . 1 1316 . 114 GLU CB C 29.0 . 1 1317 . 114 GLU CG C 34.6 . 1 1318 . 114 GLU N N 117.0 . 1 1319 . 115 ASN H H 7.90 . 1 1320 . 115 ASN HA H 4.46 . 1 1321 . 115 ASN HB2 H 2.81 . 1 1322 . 115 ASN HB3 H 2.89 . 1 1323 . 115 ASN HD21 H 7.69 . 2 1324 . 115 ASN HD22 H 6.92 . 2 1325 . 115 ASN C C 177.5 . 1 1326 . 115 ASN CA C 56.2 . 1 1327 . 115 ASN CB C 38.5 . 1 1328 . 115 ASN N N 117.8 . 1 1329 . 115 ASN ND2 N 112.3 . 1 1330 . 116 PHE H H 8.41 . 1 1331 . 116 PHE HA H 4.43 . 1 1332 . 116 PHE HB2 H 3.00 . 1 1333 . 116 PHE HB3 H 3.49 . 1 1334 . 116 PHE HD1 H 7.23 . 1 1335 . 116 PHE HD2 H 7.23 . 1 1336 . 116 PHE HE1 H 7.23 . 1 1337 . 116 PHE HE2 H 7.23 . 1 1338 . 116 PHE HZ H 7.20 . 1 1339 . 116 PHE C C 177.1 . 1 1340 . 116 PHE CA C 61.1 . 1 1341 . 116 PHE CB C 40.0 . 1 1342 . 116 PHE CD1 C 132.3 . 1 1343 . 116 PHE CD2 C 132.3 . 1 1344 . 116 PHE CE1 C 130.8 . 1 1345 . 116 PHE CE2 C 130.8 . 1 1346 . 116 PHE CZ C 128.5 . 1 1347 . 116 PHE N N 123.0 . 1 1348 . 117 LEU H H 8.91 . 1 1349 . 117 LEU HA H 3.93 . 1 1350 . 117 LEU HB2 H 2.10 . 1 1351 . 117 LEU HB3 H 1.18 . 1 1352 . 117 LEU HG H 2.12 . 1 1353 . 117 LEU HD1 H 0.81 . 1 1354 . 117 LEU HD2 H 0.83 . 1 1355 . 117 LEU C C 179.0 . 1 1356 . 117 LEU CA C 57.6 . 1 1357 . 117 LEU CB C 41.5 . 1 1358 . 117 LEU CG C 26.5 . 1 1359 . 117 LEU CD1 C 26.3 . 1 1360 . 117 LEU CD2 C 22.4 . 1 1361 . 117 LEU N N 117.9 . 1 1362 . 118 GLU H H 7.96 . 1 1363 . 118 GLU HA H 4.02 . 1 1364 . 118 GLU HB2 H 2.17 . 2 1365 . 118 GLU HB3 H 2.12 . 2 1366 . 118 GLU HG2 H 2.41 . 1 1367 . 118 GLU HG3 H 2.41 . 1 1368 . 118 GLU C C 179.4 . 1 1369 . 118 GLU CA C 59.2 . 1 1370 . 118 GLU CB C 28.8 . 1 1371 . 118 GLU CG C 35.0 . 1 1372 . 118 GLU N N 118.8 . 1 1373 . 119 ARG H H 7.95 . 1 1374 . 119 ARG HA H 3.90 . 1 1375 . 119 ARG HB2 H 1.22 . 1 1376 . 119 ARG HB3 H 1.60 . 1 1377 . 119 ARG HG2 H 1.23 . 1 1378 . 119 ARG HG3 H 1.23 . 1 1379 . 119 ARG HD2 H 3.06 . 2 1380 . 119 ARG HD3 H 2.98 . 2 1381 . 119 ARG C C 178.8 . 1 1382 . 119 ARG CA C 58.5 . 1 1383 . 119 ARG CB C 28.7 . 1 1384 . 119 ARG CG C 26.7 . 1 1385 . 119 ARG CD C 42.7 . 1 1386 . 119 ARG N N 121.0 . 1 1387 . 120 LEU H H 8.10 . 1 1388 . 120 LEU HA H 3.83 . 1 1389 . 120 LEU HB2 H 1.49 . 1 1390 . 120 LEU HB3 H 1.78 . 1 1391 . 120 LEU HG H 1.60 . 1 1392 . 120 LEU HD1 H 0.95 . 1 1393 . 120 LEU HD2 H 0.95 . 1 1394 . 120 LEU C C 177.9 . 1 1395 . 120 LEU CA C 57.3 . 1 1396 . 120 LEU CB C 41.7 . 1 1397 . 120 LEU CG C 26.7 . 1 1398 . 120 LEU CD1 C 23.3 . 1 1399 . 120 LEU CD2 C 25.8 . 1 1400 . 120 LEU N N 119.6 . 1 1401 . 121 LYS H H 8.49 . 1 1402 . 121 LYS HA H 3.67 . 1 1403 . 121 LYS HB2 H 1.81 . 1 1404 . 121 LYS HB3 H 2.12 . 1 1405 . 121 LYS HG2 H 1.45 . 2 1406 . 121 LYS HG3 H 1.33 . 2 1407 . 121 LYS HD2 H 1.75 . 2 1408 . 121 LYS HD3 H 1.60 . 2 1409 . 121 LYS HE2 H 2.88 . 1 1410 . 121 LYS HE3 H 2.88 . 1 1411 . 121 LYS C C 177.8 . 1 1412 . 121 LYS CA C 60.5 . 1 1413 . 121 LYS CB C 32.0 . 1 1414 . 121 LYS CG C 25.2 . 1 1415 . 121 LYS CD C 29.6 . 1 1416 . 121 LYS CE C 41.4 . 1 1417 . 121 LYS N N 119.6 . 1 1418 . 122 THR H H 7.93 . 1 1419 . 122 THR HA H 3.84 . 1 1420 . 122 THR HB H 4.29 . 1 1421 . 122 THR HG2 H 1.22 . 1 1422 . 122 THR C C 176.4 . 1 1423 . 122 THR CA C 67.0 . 1 1424 . 122 THR CB C 68.6 . 1 1425 . 122 THR CG2 C 21.5 . 1 1426 . 122 THR N N 116.2 . 1 1427 . 123 ILE H H 7.73 . 1 1428 . 123 ILE HA H 3.87 . 1 1429 . 123 ILE HB H 1.92 . 1 1430 . 123 ILE HG12 H 1.59 . 2 1431 . 123 ILE HG13 H 1.15 . 2 1432 . 123 ILE HG2 H 1.04 . 1 1433 . 123 ILE HD1 H 0.69 . 1 1434 . 123 ILE C C 178.9 . 1 1435 . 123 ILE CA C 64.9 . 1 1436 . 123 ILE CB C 38.4 . 1 1437 . 123 ILE CG1 C 28.9 . 1 1438 . 123 ILE CG2 C 16.7 . 1 1439 . 123 ILE CD1 C 14.2 . 1 1440 . 123 ILE N N 121.4 . 1 1441 . 124 MET H H 8.42 . 1 1442 . 124 MET HA H 4.46 . 1 1443 . 124 MET HB2 H 2.08 . 1 1444 . 124 MET HB3 H 1.78 . 1 1445 . 124 MET HG2 H 2.74 . 2 1446 . 124 MET HG3 H 2.35 . 2 1447 . 124 MET HE H 1.55 . 1 1448 . 124 MET C C 178.6 . 1 1449 . 124 MET CA C 56.7 . 1 1450 . 124 MET CB C 30.4 . 1 1451 . 124 MET CG C 32.6 . 1 1452 . 124 MET CE C 17.4 . 1 1453 . 124 MET N N 117.9 . 1 1454 . 125 ARG H H 8.60 . 1 1455 . 125 ARG HA H 4.02 . 1 1456 . 125 ARG HB2 H 1.98 . 1 1457 . 125 ARG HB3 H 1.98 . 1 1458 . 125 ARG HG2 H 1.82 . 2 1459 . 125 ARG HG3 H 1.64 . 2 1460 . 125 ARG HD2 H 3.22 . 1 1461 . 125 ARG HD3 H 3.22 . 1 1462 . 125 ARG C C 179.1 . 1 1463 . 125 ARG CA C 59.7 . 1 1464 . 125 ARG CB C 29.8 . 1 1465 . 125 ARG CG C 27.8 . 1 1466 . 125 ARG CD C 43.3 . 1 1467 . 125 ARG N N 119.9 . 1 1468 . 126 GLU H H 7.88 . 1 1469 . 126 GLU HA H 4.15 . 1 1470 . 126 GLU HB2 H 2.21 . 2 1471 . 126 GLU HB3 H 2.15 . 2 1472 . 126 GLU HG2 H 2.47 . 1 1473 . 126 GLU HG3 H 2.47 . 1 1474 . 126 GLU C C 178.8 . 1 1475 . 126 GLU CA C 59.3 . 1 1476 . 126 GLU CB C 29.0 . 1 1477 . 126 GLU CG C 36.0 . 1 1478 . 126 GLU N N 119.7 . 1 1479 . 127 LYS H H 7.92 . 1 1480 . 127 LYS HA H 4.16 . 1 1481 . 127 LYS HB2 H 1.99 . 2 1482 . 127 LYS HB3 H 1.89 . 2 1483 . 127 LYS HG2 H 1.67 . 2 1484 . 127 LYS HG3 H 1.46 . 2 1485 . 127 LYS HD2 H 1.67 . 1 1486 . 127 LYS HD3 H 1.67 . 1 1487 . 127 LYS HE2 H 3.04 . 1 1488 . 127 LYS HE3 H 3.04 . 1 1489 . 127 LYS C C 178.7 . 1 1490 . 127 LYS CA C 58.8 . 1 1491 . 127 LYS CB C 32.5 . 1 1492 . 127 LYS CG C 24.6 . 1 1493 . 127 LYS CD C 28.8 . 1 1494 . 127 LYS CE C 41.8 . 1 1495 . 127 LYS N N 118.8 . 1 1496 . 128 TYR H H 8.50 . 1 1497 . 128 TYR HA H 4.60 . 1 1498 . 128 TYR HB2 H 3.00 . 1 1499 . 128 TYR HB3 H 3.14 . 1 1500 . 128 TYR HD1 H 7.08 . 1 1501 . 128 TYR HD2 H 7.08 . 1 1502 . 128 TYR HE1 H 6.79 . 1 1503 . 128 TYR HE2 H 6.79 . 1 1504 . 128 TYR C C 177.4 . 1 1505 . 128 TYR CA C 59.2 . 1 1506 . 128 TYR CB C 38.8 . 1 1507 . 128 TYR CD1 C 133.2 . 1 1508 . 128 TYR CD2 C 133.2 . 1 1509 . 128 TYR CE1 C 118.0 . 1 1510 . 128 TYR CE2 C 118.0 . 1 1511 . 128 TYR N N 119.5 . 1 1512 . 129 SER H H 8.08 . 1 1513 . 129 SER HA H 4.21 . 1 1514 . 129 SER HB2 H 4.06 . 1 1515 . 129 SER HB3 H 4.06 . 1 1516 . 129 SER C C 175.6 . 1 1517 . 129 SER CA C 61.1 . 1 1518 . 129 SER CB C 63.0 . 1 1519 . 129 SER N N 115.0 . 1 1520 . 130 LYS H H 7.60 . 1 1521 . 130 LYS HA H 4.35 . 1 1522 . 130 LYS HB2 H 1.98 . 2 1523 . 130 LYS HB3 H 1.87 . 2 1524 . 130 LYS HG2 H 1.59 . 2 1525 . 130 LYS HG3 H 1.49 . 2 1526 . 130 LYS HD2 H 1.69 . 1 1527 . 130 LYS HD3 H 1.69 . 1 1528 . 130 LYS HE2 H 3.01 . 1 1529 . 130 LYS HE3 H 3.01 . 1 1530 . 130 LYS C C 177.1 . 1 1531 . 130 LYS CA C 56.9 . 1 1532 . 130 LYS CB C 32.2 . 1 1533 . 130 LYS CG C 24.9 . 1 1534 . 130 LYS CD C 28.8 . 1 1535 . 130 LYS CE C 41.8 . 1 1536 . 130 LYS N N 118.9 . 1 1537 . 131 CYS H H 7.75 . 1 1538 . 131 CYS HA H 4.77 . 1 1539 . 131 CYS HB2 H 3.15 . 2 1540 . 131 CYS HB3 H 3.11 . 2 1541 . 131 CYS C C 174.2 . 1 1542 . 131 CYS CA C 55.6 . 1 1543 . 131 CYS CB C 41.7 . 1 1544 . 131 CYS N N 115.8 . 1 1545 . 132 SER H H 7.94 . 1 1546 . 132 SER HA H 4.47 . 1 1547 . 132 SER HB2 H 3.82 . 2 1548 . 132 SER HB3 H 3.67 . 2 1549 . 132 SER C C 173.5 . 1 1550 . 132 SER CA C 58.3 . 1 1551 . 132 SER CB C 63.9 . 1 1552 . 132 SER N N 116.0 . 1 1553 . 133 SER H H 7.76 . 1 1554 . 133 SER HA H 4.31 . 1 1555 . 133 SER HB2 H 3.87 . 1 1556 . 133 SER HB3 H 3.87 . 1 1557 . 133 SER C C 178.5 . 1 1558 . 133 SER CA C 60.1 . 1 1559 . 133 SER CB C 64.8 . 1 1560 . 133 SER N N 123.0 . 1 stop_ save_