data_1061 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the Side-Chain 1H and 13C Resonances of Interleukin-1beta Using Double- and Triple-Resonance Heteronuclear Three-Dimensional NMR Spectroscopy ; _BMRB_accession_number 1061 _BMRB_flat_file_name bmr1061.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _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 Clore G. Marius . 2 Bax Ad . . 3 Driscoll Paul C. . 4 Wingfield Paul . . 5 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 753 "13C chemical shifts" 532 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-14 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Clore, G. Marius, Bax, Ad, Driscoll, Paul C., Wingfield, Paul, Gronenborn, Angela M., "Assignment of the Side-Chain 1H and 13C Resonances of Interleukin-1beta Using Double- and Triple-Resonance Heteronuclear Three-Dimensional NMR Spectroscopy," Biochemistry 29, 8172-8184 (1990). ; _Citation_title ; Assignment of the Side-Chain 1H and 13C Resonances of Interleukin-1beta Using Double- and Triple-Resonance Heteronuclear Three-Dimensional 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 Clore G. Marius . 2 Bax Ad . . 3 Driscoll Paul C. . 4 Wingfield Paul . . 5 Gronenborn Angela M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 29 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8172 _Page_last 8184 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_interleukin_1-beta _Saveframe_category molecular_system _Mol_system_name 'interleukin 1-beta' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'interleukin 1-beta' $interleukin_1-beta stop_ _System_molecular_weight . _System_oligomer_state monomer _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_interleukin_1-beta _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'interleukin 1-beta' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; APVRSLNCTLRDSQQKSLVM SGPYELKALHLQGQDMEQQV VFSMSFVQGEESNDKIPVAL GLKEKNLYLSCVLKDDKPTL QLESVDPKNYPKKKMEKRFV FNKIEINNKLEFESAQFPNW YISTSQAENMPVFLGGTKGG QDITDFTMQFVSS ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PRO 3 VAL 4 ARG 5 SER 6 LEU 7 ASN 8 CYS 9 THR 10 LEU 11 ARG 12 ASP 13 SER 14 GLN 15 GLN 16 LYS 17 SER 18 LEU 19 VAL 20 MET 21 SER 22 GLY 23 PRO 24 TYR 25 GLU 26 LEU 27 LYS 28 ALA 29 LEU 30 HIS 31 LEU 32 GLN 33 GLY 34 GLN 35 ASP 36 MET 37 GLU 38 GLN 39 GLN 40 VAL 41 VAL 42 PHE 43 SER 44 MET 45 SER 46 PHE 47 VAL 48 GLN 49 GLY 50 GLU 51 GLU 52 SER 53 ASN 54 ASP 55 LYS 56 ILE 57 PRO 58 VAL 59 ALA 60 LEU 61 GLY 62 LEU 63 LYS 64 GLU 65 LYS 66 ASN 67 LEU 68 TYR 69 LEU 70 SER 71 CYS 72 VAL 73 LEU 74 LYS 75 ASP 76 ASP 77 LYS 78 PRO 79 THR 80 LEU 81 GLN 82 LEU 83 GLU 84 SER 85 VAL 86 ASP 87 PRO 88 LYS 89 ASN 90 TYR 91 PRO 92 LYS 93 LYS 94 LYS 95 MET 96 GLU 97 LYS 98 ARG 99 PHE 100 VAL 101 PHE 102 ASN 103 LYS 104 ILE 105 GLU 106 ILE 107 ASN 108 ASN 109 LYS 110 LEU 111 GLU 112 PHE 113 GLU 114 SER 115 ALA 116 GLN 117 PHE 118 PRO 119 ASN 120 TRP 121 TYR 122 ILE 123 SER 124 THR 125 SER 126 GLN 127 ALA 128 GLU 129 ASN 130 MET 131 PRO 132 VAL 133 PHE 134 LEU 135 GLY 136 GLY 137 THR 138 LYS 139 GLY 140 GLY 141 GLN 142 ASP 143 ILE 144 THR 145 ASP 146 PHE 147 THR 148 MET 149 GLN 150 PHE 151 VAL 152 SER 153 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-17 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 1062 "interleukin 1-beta" 99.35 152 100.00 100.00 1.30e-106 BMRB 2718 "interleukin 1-beta" 100.00 153 100.00 100.00 1.69e-107 BMRB 2719 "interleukin 1-beta" 100.00 153 100.00 100.00 1.69e-107 BMRB 434 "interleukin 1-beta" 100.00 153 100.00 100.00 1.69e-107 BMRB 435 "interleukin 1-beta" 99.35 152 100.00 100.00 1.30e-106 PDB 1HIB "The Structure Of An Interleukin-1 Beta Mutant With Reduced Bioactivity Shows Multiple Subtle Changes In Conformation That Affec" 100.00 153 99.35 99.35 2.02e-106 PDB 1I1B "Crystal Structure Of Recombinant Human Interleukin-1beta At 2.0 Angstroms Resolution" 100.00 153 100.00 100.00 1.69e-107 PDB 1IOB "Interleukin-1 Beta From Joint X-ray And Nmr Refinement" 100.00 153 100.00 100.00 1.69e-107 PDB 1ITB "Type-1 Interleukin-1 Receptor Complexed With Interleukin-1 Beta" 100.00 153 100.00 100.00 1.69e-107 PDB 1L2H "Crystal Structure Of Interleukin 1-Beta F42wW120F MUTANT" 100.00 153 98.69 100.00 4.16e-105 PDB 1S0L "Interleukin 1 Beta Mutant F42w" 100.00 153 99.35 100.00 9.70e-107 PDB 1T4Q "Interleukin 1 Beta F101w" 100.00 153 99.35 100.00 9.70e-107 PDB 1TOO "Interleukin 1b Mutant F146w" 100.00 153 99.35 100.00 9.70e-107 PDB 1TP0 "Triple Mutation In Interleukin 1 Beta Cavity:replacement Of Phenylalanines With Tryptophan" 100.00 153 98.04 100.00 9.95e-106 PDB 1TWE "Interleukin 1 Beta Mutant F101y" 100.00 153 99.35 100.00 4.32e-107 PDB 1TWM "Interleukin-1 Beta Mutant F146y" 100.00 153 99.35 100.00 4.32e-107 PDB 21BI "Interleukin-1 Beta (Il-1 Beta) (Mutant With Cys 71 Replaced By Ala) (C71a)" 100.00 153 99.35 99.35 1.64e-106 PDB 2I1B "Crystallographic Refinement Of Interleukin-1 Beta At 2.0 Angstroms Resolution" 100.00 153 100.00 100.00 1.69e-107 PDB 2KH2 "Solution Structure Of A Scfv-Il-1b Complex" 100.00 153 100.00 100.00 1.69e-107 PDB 2NVH "Determination Of Solvent Content In Cavities In Interleukin- 1 Using Experimentally-Phased Electron Density" 100.00 153 100.00 100.00 1.69e-107 PDB 31BI "Interleukin-1 Beta (Il-1 Beta) (Mutant With Cys 71 Replaced By Ser) (C71s)" 100.00 153 99.35 99.35 2.89e-106 PDB 3O4O "Crystal Structure Of An Interleukin-1 Receptor Complex" 100.00 158 100.00 100.00 2.43e-107 PDB 41BI "Interleukin-1 Beta (Il-1 Beta) (Mutant With Cys 8 Replaced By Ala (C8a)" 100.00 153 99.35 99.35 1.64e-106 PDB 4DEP "Structure Of The Il-1b Signaling Complex" 100.00 158 100.00 100.00 2.43e-107 PDB 4G6J "Crystal Structure Of Human Il-1beta In Complex With The Therapeutic Antibody Binding Fragment Of Canakinumab" 100.00 158 100.00 100.00 1.81e-107 PDB 4G6M "Crystal Strucure Of Human Il-1beta In Complex With Therapeutic Antibody Binding Fragment Of Gevokizumab" 98.04 150 100.00 100.00 2.18e-105 PDB 4I1B "Functional Implications Of Interleukin-1beta Based On The Three-Dimensional Structure" 100.00 153 100.00 100.00 1.69e-107 PDB 5BVP "The Molecular Mode Of Action And Species Specificity Of Canakinumab, A Human Monoclonal Antibody Neutralizing Il-1beta" 100.00 153 100.00 100.00 1.69e-107 PDB 5I1B "A Comparison Of The High Resolution Structures Of Human And Murine Interleukin-1b" 100.00 153 100.00 100.00 1.69e-107 PDB 6I1B "High-Resolution Three-Dimensional Structure Of Interleukin- 1 Beta In Solution By Three-And Four-Dimensional Nuclear Magnetic R" 100.00 153 100.00 100.00 1.69e-107 PDB 7I1B "High-Resolution Three-Dimensional Structure Of Interleukin- 1 Beta In Solution By Three-And Four-Dimensional Nuclear Magnetic R" 100.00 153 100.00 100.00 1.69e-107 PDB 9ILB "Human Interleukin-1 Beta" 100.00 153 100.00 100.00 1.69e-107 DBJ BAG70308 "interleukin-1 beta precursor [Homo sapiens]" 100.00 153 100.00 100.00 1.69e-107 DBJ BAG73311 "interleukin 1 beta [synthetic construct]" 100.00 269 100.00 100.00 2.39e-105 EMBL CAA26372 "unnamed protein product [Homo sapiens]" 100.00 269 100.00 100.00 2.39e-105 EMBL CAA28185 "prointerleukin-1-beta [Homo sapiens]" 100.00 269 100.00 100.00 2.39e-105 EMBL CAA39567 "prointerleukin-1 beta [Homo sapiens]" 100.00 269 100.00 100.00 2.39e-105 EMBL CAG28607 "IL1B [Homo sapiens]" 100.00 269 100.00 100.00 2.91e-105 GB AAA36106 "interleukin 1 precursor polypeptide [Homo sapiens]" 100.00 269 100.00 100.00 2.91e-105 GB AAA59135 "interleukin 1-beta [Homo sapiens]" 100.00 269 100.00 100.00 2.39e-105 GB AAA59136 "interleukin 1 precursor [Homo sapiens]" 100.00 269 98.69 98.69 2.86e-103 GB AAA72561 "interleukin 1-beta [synthetic construct]" 100.00 154 99.35 99.35 1.66e-106 GB AAA72849 "growth hormone:interleukin 1-beta fusion protein [synthetic construct]" 100.00 179 100.00 100.00 3.43e-107 PRF 1107273B "interleukin 1beta" 100.00 269 100.00 100.00 2.39e-105 REF NP_000567 "interleukin-1 beta proprotein [Homo sapiens]" 100.00 269 100.00 100.00 2.39e-105 REF XP_001147075 "PREDICTED: interleukin-1 beta [Pan troglodytes]" 100.00 269 100.00 100.00 2.19e-105 REF XP_002811835 "PREDICTED: interleukin-1 beta [Pongo abelii]" 100.00 268 99.35 100.00 6.95e-105 REF XP_003277734 "PREDICTED: interleukin-1 beta isoform X3 [Nomascus leucogenys]" 100.00 269 99.35 100.00 8.10e-105 REF XP_003804551 "PREDICTED: interleukin-1 beta [Pan paniscus]" 100.00 269 100.00 100.00 2.19e-105 SP P01584 "RecName: Full=Interleukin-1 beta; Short=IL-1 beta; AltName: Full=Catabolin; Flags: Precursor" 100.00 269 100.00 100.00 2.39e-105 TPE CAD29872 "TPA: pro-interleukin-1-beta [Homo sapiens]" 100.00 269 100.00 100.00 2.39e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $interleukin_1-beta Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $interleukin_1-beta 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.4 . na temperature 309 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP C . . . 0 . . . . . $entry_citation $entry_citation TSP H . . . 0 . . . . . $entry_citation $entry_citation 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_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'interleukin 1-beta' _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 CA C 50.26 . 1 2 . 1 ALA HA H 4.36 . 1 3 . 1 ALA CB C 17.23 . 1 4 . 1 ALA HB H 1.47 . 1 5 . 2 PRO CA C 62.42 . 1 6 . 2 PRO HA H 4.5 . 1 7 . 2 PRO CB C 31.69 . 1 8 . 2 PRO CG C 26.76 . 1 9 . 2 PRO HB2 H 2.31 . 2 10 . 2 PRO HB3 H 1.89 . 2 11 . 2 PRO CD C 49.93 . 1 12 . 2 PRO HG2 H 2 . 1 13 . 2 PRO HG3 H 2 . 1 14 . 2 PRO HD2 H 3.59 . 2 15 . 2 PRO HD3 H 3.68 . 2 16 . 3 VAL CA C 60.95 . 1 17 . 3 VAL HA H 4.25 . 1 18 . 3 VAL CB C 32.68 . 1 19 . 3 VAL CG1 C 21.88 . 2 20 . 3 VAL CG2 C 20.68 . 2 21 . 3 VAL HB H 1.93 . 1 22 . 3 VAL HG1 H .83 . 1 23 . 3 VAL HG2 H .83 . 1 24 . 4 ARG CA C 55.69 . 1 25 . 4 ARG HA H 4.5 . 1 26 . 4 ARG CB C 30.71 . 1 27 . 4 ARG CG C 27.09 . 1 28 . 4 ARG HB2 H 1.94 . 2 29 . 4 ARG HB3 H 2 . 2 30 . 4 ARG CD C 42.7 . 1 31 . 4 ARG HG2 H 1.58 . 2 32 . 4 ARG HG3 H 1.77 . 2 33 . 4 ARG HD2 H 3.06 . 2 34 . 4 ARG HD3 H 3.17 . 2 35 . 5 SER CA C 56.34 . 1 36 . 5 SER HA H 5.67 . 1 37 . 5 SER CB C 65.55 . 1 38 . 5 SER HB2 H 3.55 . 2 39 . 5 SER HB3 H 3.68 . 2 40 . 6 LEU CA C 53.39 . 1 41 . 6 LEU HA H 4.78 . 1 42 . 6 LEU CB C 45 . 1 43 . 6 LEU CG C 26.1 . 1 44 . 6 LEU HB2 H 1.81 . 2 45 . 6 LEU HB3 H 1.82 . 2 46 . 6 LEU CD1 C 25.28 . 1 47 . 6 LEU CD2 C 25.28 . 1 48 . 6 LEU HG H 1.84 . 1 49 . 6 LEU HD1 H 1.02 . 2 50 . 6 LEU HD2 H .98 . 2 51 . 7 ASN CA C 51.25 . 1 52 . 7 ASN HA H 6.25 . 1 53 . 7 ASN CB C 38.92 . 1 54 . 7 ASN HB2 H 2.32 . 2 55 . 7 ASN HB3 H 2.86 . 2 56 . 8 CYS CA C 55.19 . 1 57 . 8 CYS HA H 5.76 . 1 58 . 8 CYS CB C 32.35 . 1 59 . 8 CYS HB2 H 2.86 . 2 60 . 8 CYS HB3 H 2.96 . 2 61 . 9 THR CA C 59.3 . 1 62 . 9 THR HA H 5.06 . 1 63 . 9 THR CB C 71.47 . 1 64 . 9 THR CG2 C 21.01 . 1 65 . 9 THR HB H 4.39 . 1 66 . 9 THR HG2 H 1.18 . 1 67 . 10 LEU CA C 53.06 . 1 68 . 10 LEU HA H 5.45 . 1 69 . 10 LEU CB C 46.31 . 1 70 . 10 LEU CG C 26.43 . 1 71 . 10 LEU HB2 H 1.07 . 2 72 . 10 LEU HB3 H 1.53 . 2 73 . 10 LEU CD1 C 22.82 . 2 74 . 10 LEU CD2 C 23.15 . 2 75 . 10 LEU HG H 1.18 . 1 76 . 10 LEU HD1 H .58 . 2 77 . 10 LEU HD2 H .4 . 2 78 . 11 ARG CA C 53.54 . 1 79 . 11 ARG HA H 5.31 . 1 80 . 11 ARG CB C 34.15 . 1 81 . 11 ARG CG C 26.92 . 1 82 . 11 ARG HB2 H 1.64 . 1 83 . 11 ARG HB3 H 1.64 . 1 84 . 11 ARG CD C 43.36 . 1 85 . 11 ARG HG2 H 1.67 . 1 86 . 11 ARG HG3 H 1.67 . 1 87 . 11 ARG HD2 H 3 . 2 88 . 11 ARG HD3 H 3.08 . 2 89 . 12 ASP CA C 52.73 . 1 90 . 12 ASP HA H 4.65 . 1 91 . 12 ASP CB C 40.4 . 1 92 . 12 ASP HB2 H 2.69 . 2 93 . 12 ASP HB3 H 2.28 . 2 94 . 13 SER CA C 59.79 . 1 95 . 13 SER HA H 3.99 . 1 96 . 13 SER CB C 61.61 . 1 97 . 13 SER HB2 H 3.65 . 2 98 . 13 SER HB3 H 3.95 . 2 99 . 14 GLN CA C 54.37 . 1 100 . 14 GLN HA H 4.55 . 1 101 . 14 GLN CB C 27.91 . 1 102 . 14 GLN CG C 33.5 . 1 103 . 14 GLN HB2 H 1.59 . 2 104 . 14 GLN HB3 H 2.56 . 2 105 . 14 GLN HG2 H 2.36 . 1 106 . 14 GLN HG3 H 2.36 . 1 107 . 15 GLN CA C 56.68 . 1 108 . 15 GLN HA H 3.55 . 1 109 . 15 GLN CB C 24.62 . 1 110 . 15 GLN CG C 33.01 . 1 111 . 15 GLN HB2 H 2.53 . 2 112 . 15 GLN HB3 H 2.62 . 2 113 . 15 GLN HG2 H 2.25 . 2 114 . 15 GLN HG3 H 2.39 . 2 115 . 16 LYS CA C 58.32 . 1 116 . 16 LYS HA H 3.66 . 1 117 . 16 LYS CB C 29.92 . 1 118 . 16 LYS HB2 H 2 . 2 119 . 16 LYS HB3 H .93 . 1 120 . 16 LYS HG2 H 1.24 . 2 121 . 16 LYS HG3 H 1.38 . 2 122 . 16 LYS CE C 41.23 . 1 123 . 16 LYS HE2 H 2.65 . 1 124 . 16 LYS HE3 H 2.65 . 1 125 . 17 SER CA C 58.47 . 1 126 . 17 SER HA H 4.91 . 1 127 . 17 SER CB C 65.05 . 1 128 . 17 SER HB2 H 3.76 . 2 129 . 17 SER HB3 H 4.03 . 2 130 . 18 LEU CA C 53.88 . 1 131 . 18 LEU HA H 5.38 . 1 132 . 18 LEU CB C 42.04 . 1 133 . 18 LEU CG C 28.24 . 1 134 . 18 LEU HB2 H 1.4 . 2 135 . 18 LEU HB3 H 2.15 . 2 136 . 18 LEU CD1 C 23.96 . 1 137 . 18 LEU CD2 C 23.96 . 1 138 . 18 LEU HG H 1.86 . 1 139 . 18 LEU HD1 H .89 . 2 140 . 18 LEU HD2 H .77 . 2 141 . 19 VAL CA C 58.46 . 1 142 . 19 VAL HA H 4.68 . 1 143 . 19 VAL CB C 35.6 . 1 144 . 19 VAL CG1 C 21.5 . 2 145 . 19 VAL CG2 C 19.5 . 2 146 . 19 VAL HB H 2.03 . 1 147 . 19 VAL HG1 H .66 . 2 148 . 19 VAL HG2 H .78 . 2 149 . 20 MET CA C 54.86 . 1 150 . 20 MET HA H 4.9 . 1 151 . 20 MET CB C 31.85 . 1 152 . 20 MET CG C 31.85 . 1 153 . 20 MET HB2 H 1.7 . 2 154 . 20 MET HB3 H 2.19 . 2 155 . 20 MET HG2 H 2.3 . 2 156 . 20 MET HG3 H 2.5 . 2 157 . 21 SER CA C 56.18 . 1 158 . 21 SER HA H 4.52 . 1 159 . 21 SER CB C 62.59 . 1 160 . 21 SER HB2 H 3.52 . 2 161 . 21 SER HB3 H 3.6 . 2 162 . 22 GLY CA C 43.85 . 1 163 . 22 GLY HA2 H 4.12 . 2 164 . 22 GLY HA3 H 3.97 . 2 165 . 23 PRO CA C 63.58 . 1 166 . 23 PRO HA H 4.02 . 1 167 . 23 PRO CB C 31.2 . 1 168 . 23 PRO CG C 26.43 . 1 169 . 23 PRO HB2 H 1.97 . 2 170 . 23 PRO HB3 H 1.14 . 2 171 . 23 PRO CD C 48.46 . 1 172 . 23 PRO HG2 H 1.77 . 2 173 . 23 PRO HG3 H 1.86 . 2 174 . 23 PRO HD2 H 3.44 . 2 175 . 23 PRO HD3 H 3.59 . 2 176 . 24 TYR CA C 55.36 . 1 177 . 24 TYR HA H 4.78 . 1 178 . 24 TYR CB C 38.76 . 1 179 . 24 TYR HB2 H 2.76 . 2 180 . 24 TYR HB3 H 3.54 . 2 181 . 24 TYR CD1 C 133.14 . 1 182 . 24 TYR CD2 C 133.14 . 1 183 . 24 TYR CE1 C 117.32 . 1 184 . 24 TYR HD1 H 7.09 . 1 185 . 24 TYR CE2 C 117.32 . 1 186 . 24 TYR HD2 H 7.09 . 1 187 . 24 TYR HE1 H 6.78 . 1 188 . 24 TYR HE2 H 6.78 . 1 189 . 25 GLU CA C 55.19 . 1 190 . 25 GLU HA H 4.67 . 1 191 . 25 GLU CB C 33.83 . 1 192 . 25 GLU CG C 36.45 . 1 193 . 25 GLU HB2 H 1.94 . 2 194 . 25 GLU HB3 H 2.04 . 2 195 . 25 GLU HG2 H 2.24 . 2 196 . 25 GLU HG3 H 2.3 . 2 197 . 26 LEU CA C 52.56 . 1 198 . 26 LEU HA H 5.24 . 1 199 . 26 LEU CB C 45 . 1 200 . 26 LEU CG C 25.78 . 1 201 . 26 LEU HB2 H 1.42 . 2 202 . 26 LEU HB3 H 1.63 . 2 203 . 26 LEU CD1 C 24.6 . 1 204 . 26 LEU CD2 C 24.6 . 1 205 . 26 LEU HG H 1.63 . 1 206 . 26 LEU HD1 H .89 . 2 207 . 26 LEU HD2 H .83 . 2 208 . 27 LYS CA C 54.53 . 1 209 . 27 LYS HA H 5.17 . 1 210 . 27 LYS CB C 36.95 . 1 211 . 27 LYS CG C 24.86 . 1 212 . 27 LYS HB2 H 1.49 . 2 213 . 27 LYS HB3 H 1.89 . 2 214 . 27 LYS CD C 29.06 . 1 215 . 27 LYS HG2 H 1 . 2 216 . 27 LYS HG3 H 1.19 . 2 217 . 27 LYS CE C 41.71 . 1 218 . 27 LYS HD2 H 1.49 . 1 219 . 27 LYS HD3 H 1.49 . 1 220 . 27 LYS HE2 H 2.78 . 1 221 . 27 LYS HE3 H 2.78 . 1 222 . 28 ALA CA C 49.95 . 1 223 . 28 ALA HA H 6.16 . 1 224 . 28 ALA CB C 21.33 . 1 225 . 28 ALA HB H 1.31 . 1 226 . 29 LEU CA C 54.86 . 1 227 . 29 LEU HA H 4.87 . 1 228 . 29 LEU CB C 43.86 . 1 229 . 29 LEU CG C 27.09 . 1 230 . 29 LEU HB2 H 1.58 . 2 231 . 29 LEU HB3 H 1.95 . 2 232 . 29 LEU CD1 C 25.61 . 1 233 . 29 LEU CD2 C 25.61 . 1 234 . 29 LEU HG H 1.42 . 1 235 . 29 LEU HD1 H .86 . 2 236 . 29 LEU HD2 H .83 . 2 237 . 30 HIS CA C 58.81 . 1 238 . 30 HIS HA H 4.69 . 1 239 . 30 HIS CB C 27.25 . 1 240 . 30 HIS HB2 H 3.16 . 2 241 . 30 HIS HB3 H 3.23 . 2 242 . 31 LEU CA C 53.06 . 1 243 . 31 LEU HA H 4.67 . 1 244 . 31 LEU CB C 44.34 . 1 245 . 31 LEU CG C 25.78 . 1 246 . 31 LEU HB2 H 1.25 . 2 247 . 31 LEU HB3 H 1.68 . 2 248 . 31 LEU CD1 C 25.78 . 1 249 . 31 LEU CD2 C 25.78 . 1 250 . 31 LEU HG H 1.64 . 1 251 . 31 LEU HD1 H .89 . 2 252 . 31 LEU HD2 H .83 . 2 253 . 32 GLN CA C 54.21 . 1 254 . 32 GLN HA H 4.53 . 1 255 . 32 GLN CB C 30.2 . 1 256 . 32 GLN CG C 32.84 . 1 257 . 32 GLN HB2 H 1.98 . 2 258 . 32 GLN HB3 H 2.19 . 2 259 . 32 GLN HG2 H 2.25 . 2 260 . 32 GLN HG3 H 2.31 . 2 261 . 33 GLY CA C 46.33 . 1 262 . 33 GLY HA2 H 3.99 . 2 263 . 33 GLY HA3 H 3.77 . 2 264 . 34 GLN CA C 56.51 . 1 265 . 34 GLN HA H 4.27 . 1 266 . 34 GLN CB C 27.58 . 1 267 . 34 GLN CG C 33.01 . 1 268 . 34 GLN HB2 H 2.1 . 1 269 . 34 GLN HB3 H 2.1 . 1 270 . 34 GLN HG2 H 2.42 . 1 271 . 34 GLN HG3 H 2.42 . 1 272 . 35 ASP CA C 54.53 . 1 273 . 35 ASP HA H 4.75 . 1 274 . 35 ASP CB C 40.4 . 1 275 . 35 ASP HB2 H 2.89 . 2 276 . 35 ASP HB3 H 2.79 . 2 277 . 36 MET CA C 56.84 . 1 278 . 36 MET HA H 4.21 . 1 279 . 36 MET CB C 31.36 . 1 280 . 36 MET CG C 30.87 . 1 281 . 36 MET HB2 H 2.05 . 1 282 . 36 MET HB3 H 2.05 . 1 283 . 36 MET HG2 H 2.53 . 2 284 . 36 MET HG3 H 2.69 . 2 285 . 37 GLU CA C 57.16 . 1 286 . 37 GLU HA H 4.22 . 1 287 . 37 GLU CB C 28.57 . 1 288 . 37 GLU CG C 35.31 . 1 289 . 37 GLU HB2 H 2.02 . 2 290 . 37 GLU HB3 H 2.1 . 2 291 . 37 GLU HG2 H 2.36 . 1 292 . 37 GLU HG3 H 2.36 . 1 293 . 38 GLN CA C 55.52 . 1 294 . 38 GLN HA H 4.21 . 1 295 . 38 GLN CB C 29.06 . 1 296 . 38 GLN CG C 33.67 . 1 297 . 38 GLN HB2 H 1.97 . 2 298 . 38 GLN HB3 H 2.23 . 2 299 . 38 GLN HG2 H 2.4 . 2 300 . 38 GLN HG3 H 2.5 . 2 301 . 39 GLN CA C 55.85 . 1 302 . 39 GLN HA H 4.42 . 1 303 . 39 GLN CB C 29.22 . 1 304 . 39 GLN CG C 33.99 . 1 305 . 39 GLN HB2 H 2.03 . 2 306 . 39 GLN HB3 H 2.3 . 2 307 . 39 GLN HG2 H 2.42 . 2 308 . 39 GLN HG3 H 2.56 . 2 309 . 40 VAL CA C 61.6 . 1 310 . 40 VAL HA H 3.78 . 1 311 . 40 VAL CB C 32 . 1 312 . 40 VAL CG1 C 20.8 . 2 313 . 40 VAL CG2 C 19.5 . 2 314 . 40 VAL HB H 1.58 . 1 315 . 40 VAL HG1 H .19 . 2 316 . 40 VAL HG2 H .62 . 2 317 . 41 VAL CA C 61.3 . 1 318 . 41 VAL HA H 4.24 . 1 319 . 41 VAL CB C 32.35 . 1 320 . 41 VAL CG1 C 20.5 . 2 321 . 41 VAL CG2 C 21.5 . 2 322 . 41 VAL HB H 1.83 . 1 323 . 41 VAL HG1 H .85 . 1 324 . 41 VAL HG2 H .85 . 1 325 . 42 PHE CA C 56.68 . 1 326 . 42 PHE HA H 5.04 . 1 327 . 42 PHE CB C 40.56 . 1 328 . 42 PHE HB2 H 3.07 . 2 329 . 42 PHE HB3 H 2.57 . 2 330 . 42 PHE CD1 C 130.69 . 1 331 . 42 PHE CD2 C 130.69 . 1 332 . 42 PHE CE1 C 130.2 . 1 333 . 42 PHE HD1 H 6.9 . 1 334 . 42 PHE CE2 C 130.2 . 1 335 . 42 PHE HD2 H 6.9 . 1 336 . 42 PHE CZ C 127.43 . 1 337 . 42 PHE HE1 H 7 . 1 338 . 42 PHE HE2 H 7 . 1 339 . 42 PHE HZ H 6.62 . 1 340 . 43 SER CA C 55.85 . 1 341 . 43 SER HA H 5.16 . 1 342 . 43 SER CB C 63.08 . 1 343 . 43 SER HB2 H 3.45 . 2 344 . 43 SER HB3 H 3.61 . 2 345 . 44 MET CA C 53.55 . 1 346 . 44 MET HA H 5.3 . 1 347 . 44 MET CB C 34.81 . 1 348 . 44 MET CG C 34.32 . 1 349 . 44 MET HB2 H 1.56 . 2 350 . 44 MET HB3 H 2.23 . 2 351 . 44 MET HG2 H 2.23 . 1 352 . 44 MET HG3 H 2.23 . 1 353 . 45 SER CA C 56.35 . 1 354 . 45 SER HA H 5.36 . 1 355 . 45 SER CB C 64.72 . 1 356 . 45 SER HB2 H 3.58 . 2 357 . 45 SER HB3 H 3.71 . 2 358 . 46 PHE CA C 58.15 . 1 359 . 46 PHE HA H 4.77 . 1 360 . 46 PHE CB C 37.44 . 1 361 . 46 PHE HB2 H 3.37 . 2 362 . 46 PHE HB3 H 2.98 . 2 363 . 46 PHE CD1 C 131.5 . 1 364 . 46 PHE CD2 C 131.5 . 1 365 . 46 PHE CE1 C 129.87 . 1 366 . 46 PHE HD1 H 7.23 . 1 367 . 46 PHE CE2 C 129.87 . 1 368 . 46 PHE HD2 H 7.23 . 1 369 . 46 PHE CZ C 128.74 . 1 370 . 46 PHE HE1 H 7.13 . 1 371 . 46 PHE HE2 H 7.13 . 1 372 . 46 PHE HZ H 7.23 . 1 373 . 47 VAL CA C 59.79 . 1 374 . 47 VAL HA H 4.66 . 1 375 . 47 VAL CB C 32.7 . 1 376 . 47 VAL CG1 C 18.87 . 2 377 . 47 VAL CG2 C 21.5 . 2 378 . 47 VAL HB H 2.51 . 1 379 . 47 VAL HG1 H .73 . 2 380 . 47 VAL HG2 H .95 . 2 381 . 48 GLN CA C 55.36 . 1 382 . 48 GLN HA H 4.44 . 1 383 . 48 GLN CB C 29.06 . 1 384 . 48 GLN CG C 33.34 . 1 385 . 48 GLN HB2 H 1.97 . 2 386 . 48 GLN HB3 H 2.08 . 2 387 . 48 GLN HG2 H 2.42 . 1 388 . 48 GLN HG3 H 2.42 . 1 389 . 49 GLY CA C 44.51 . 1 390 . 49 GLY HA2 H 4.12 . 2 391 . 49 GLY HA3 H 3.94 . 2 392 . 50 GLU CA C 55.85 . 1 393 . 50 GLU HA H 4.35 . 1 394 . 50 GLU CB C 29.22 . 1 395 . 50 GLU CG C 35.64 . 1 396 . 50 GLU HB2 H 1.92 . 2 397 . 50 GLU HB3 H 2.06 . 2 398 . 50 GLU HG2 H 2.25 . 1 399 . 50 GLU HG3 H 2.25 . 1 400 . 51 GLU CA C 55.52 . 1 401 . 51 GLU HA H 4.5 . 1 402 . 51 GLU CB C 30.21 . 1 403 . 51 GLU CG C 35.64 . 1 404 . 51 GLU HB2 H 2.01 . 2 405 . 51 GLU HB3 H 2.11 . 2 406 . 51 GLU HG2 H 2.27 . 2 407 . 51 GLU HG3 H 2.34 . 2 408 . 52 SER CA C 56.84 . 1 409 . 52 SER HA H 4.63 . 1 410 . 52 SER CB C 63.74 . 1 411 . 52 SER HB2 H 3.88 . 2 412 . 52 SER HB3 H 3.97 . 2 413 . 53 ASN CA C 53.87 . 1 414 . 53 ASN HA H 4.6 . 1 415 . 53 ASN CB C 37.77 . 1 416 . 53 ASN HB2 H 2.83 . 2 417 . 53 ASN HB3 H 2.9 . 2 418 . 54 ASP CA C 53.87 . 1 419 . 54 ASP HA H 4.59 . 1 420 . 54 ASP CB C 40.07 . 1 421 . 54 ASP HB2 H 2.77 . 1 422 . 54 ASP HB3 H 2.77 . 1 423 . 55 LYS CA C 54.86 . 1 424 . 55 LYS HA H 4.72 . 1 425 . 55 LYS CB C 33.99 . 1 426 . 55 LYS CG C 24.29 . 1 427 . 55 LYS HB2 H 1.5 . 2 428 . 55 LYS HB3 H 1.78 . 2 429 . 55 LYS CD C 29.06 . 1 430 . 55 LYS HG2 H 1.27 . 2 431 . 55 LYS HG3 H 1.44 . 2 432 . 55 LYS CE C 41.23 . 1 433 . 55 LYS HD2 H 1.58 . 1 434 . 55 LYS HD3 H 1.58 . 1 435 . 55 LYS HE2 H 2.92 . 1 436 . 55 LYS HE3 H 2.92 . 1 437 . 56 ILE CA C 56.5 . 1 438 . 56 ILE HA H 4.86 . 1 439 . 56 ILE CB C 39.91 . 1 440 . 56 ILE CG1 C 26.76 . 1 441 . 56 ILE CG2 C 16.57 . 1 442 . 56 ILE HB H 2.09 . 1 443 . 56 ILE CD1 C 11.64 . 1 444 . 56 ILE HG12 H 1.39 . 2 445 . 56 ILE HG13 H 1.61 . 2 446 . 56 ILE HG2 H 1.16 . 1 447 . 56 ILE HD1 H .93 . 1 448 . 57 PRO CA C 61.93 . 1 449 . 57 PRO HA H 5.37 . 1 450 . 57 PRO CB C 31.36 . 1 451 . 57 PRO CG C 26.76 . 1 452 . 57 PRO HB2 H 2.15 . 2 453 . 57 PRO HB3 H 1.83 . 2 454 . 57 PRO CD C 51.09 . 1 455 . 57 PRO HG2 H 1.86 . 2 456 . 57 PRO HG3 H 2.24 . 2 457 . 57 PRO HD2 H 4.05 . 2 458 . 57 PRO HD3 H 3.96 . 2 459 . 58 VAL CA C 57.99 . 1 460 . 58 VAL HA H 5.64 . 1 461 . 58 VAL CB C 36.62 . 1 462 . 58 VAL CG1 C 17.89 . 2 463 . 58 VAL CG2 C 21.2 . 2 464 . 58 VAL HB H 2.08 . 1 465 . 58 VAL HG1 H .73 . 2 466 . 58 VAL HG2 H .82 . 2 467 . 59 ALA CA C 50.26 . 1 468 . 59 ALA HA H 5.42 . 1 469 . 59 ALA CB C 22.65 . 1 470 . 59 ALA HB H 1.51 . 1 471 . 60 LEU CA C 53.06 . 1 472 . 60 LEU HA H 4.86 . 1 473 . 60 LEU CB C 44.84 . 1 474 . 60 LEU CG C 26.1 . 1 475 . 60 LEU HB2 H .86 . 2 476 . 60 LEU HB3 H 1.5 . 2 477 . 60 LEU CD1 C 22.81 . 2 478 . 60 LEU CD2 C 23.8 . 2 479 . 60 LEU HG H 1.03 . 1 480 . 60 LEU HD1 H .08 . 2 481 . 60 LEU HD2 H .56 . 2 482 . 61 GLY CA C 42.05 . 1 483 . 61 GLY HA2 H 4.15 . 2 484 . 61 GLY HA3 H 2.38 . 2 485 . 62 LEU CA C 53.72 . 1 486 . 62 LEU HA H 4.46 . 1 487 . 62 LEU CB C 40.24 . 1 488 . 62 LEU CG C 28.24 . 1 489 . 62 LEU HB2 H 1.36 . 2 490 . 62 LEU HB3 H 1.42 . 2 491 . 62 LEU CD1 C 24.85 . 1 492 . 62 LEU CD2 C 24.85 . 1 493 . 62 LEU HG H 1.25 . 1 494 . 62 LEU HD1 H .64 . 2 495 . 62 LEU HD2 H .44 . 2 496 . 63 LYS HA H 3.84 . 1 497 . 64 GLU CA C 57.82 . 1 498 . 64 GLU HA H 3.98 . 1 499 . 64 GLU CB C 27.91 . 1 500 . 64 GLU CG C 33.34 . 1 501 . 64 GLU HB2 H 2.09 . 2 502 . 64 GLU HB3 H 2.24 . 2 503 . 64 GLU HG2 H 2.24 . 1 504 . 64 GLU HG3 H 2.24 . 1 505 . 65 LYS CA C 54.21 . 1 506 . 65 LYS HA H 4.48 . 1 507 . 65 LYS CB C 34.32 . 1 508 . 65 LYS CG C 23.8 . 1 509 . 65 LYS HB2 H 1.42 . 2 510 . 65 LYS HB3 H 1.77 . 2 511 . 65 LYS CD C 29.06 . 1 512 . 65 LYS HG2 H .81 . 2 513 . 65 LYS HG3 H 1 . 2 514 . 65 LYS CE C 41.39 . 1 515 . 65 LYS HD2 H 1.36 . 2 516 . 65 LYS HD3 H 1.42 . 2 517 . 65 LYS HE2 H 3 . 1 518 . 65 LYS HE3 H 3 . 1 519 . 66 ASN CA C 53.39 . 1 520 . 66 ASN HA H 4.41 . 1 521 . 66 ASN CB C 36.29 . 1 522 . 66 ASN HB2 H 3.01 . 2 523 . 66 ASN HB3 H 3.14 . 2 524 . 67 LEU CA C 52.56 . 1 525 . 67 LEU HA H 5.34 . 1 526 . 67 LEU CB C 47.47 . 1 527 . 67 LEU CG C 22.45 . 1 528 . 67 LEU HB2 H 1.17 . 2 529 . 67 LEU HB3 H 1.42 . 2 530 . 67 LEU CD1 C 25.78 . 1 531 . 67 LEU CD2 C 25.78 . 1 532 . 67 LEU HG H 1.61 . 1 533 . 67 LEU HD1 H .89 . 1 534 . 67 LEU HD2 H .89 . 1 535 . 68 TYR CA C 56.84 . 1 536 . 68 TYR HA H 4.96 . 1 537 . 68 TYR CB C 42.54 . 1 538 . 68 TYR HB2 H 2.51 . 2 539 . 68 TYR HB3 H 3.08 . 2 540 . 68 TYR CD1 C 132.16 . 1 541 . 68 TYR CD2 C 132.16 . 1 542 . 68 TYR CE1 C 116.5 . 1 543 . 68 TYR HD1 H 6.88 . 1 544 . 68 TYR CE2 C 116.5 . 1 545 . 68 TYR HD2 H 6.88 . 1 546 . 68 TYR HE1 H 6.51 . 1 547 . 68 TYR HE2 H 6.51 . 1 548 . 69 LEU CA C 56.02 . 1 549 . 69 LEU HA H 4.84 . 1 550 . 69 LEU CB C 44.67 . 1 551 . 69 LEU CG C 28.56 . 1 552 . 69 LEU HB2 H 1.69 . 2 553 . 69 LEU HB3 H 2 . 2 554 . 69 LEU CD1 C 23.96 . 1 555 . 69 LEU CD2 C 23.96 . 1 556 . 69 LEU HG H 1.69 . 1 557 . 69 LEU HD1 H .67 . 1 558 . 69 LEU HD2 H .67 . 1 559 . 70 SER CA C 55.19 . 1 560 . 70 SER HA H 5.23 . 1 561 . 70 SER CB C 66.7 . 1 562 . 70 SER HB2 H 3.28 . 2 563 . 70 SER HB3 H 3.66 . 2 564 . 71 CYS CA C 56.02 . 1 565 . 71 CYS HA H 5.53 . 1 566 . 71 CYS CB C 29.72 . 1 567 . 71 CYS HB2 H 2.46 . 2 568 . 71 CYS HB3 H 2.86 . 2 569 . 72 VAL CA C 57.99 . 1 570 . 72 VAL HA H 4.58 . 1 571 . 72 VAL CB C 35.6 . 1 572 . 72 VAL CG1 C 17.76 . 2 573 . 72 VAL CG2 C 20.68 . 2 574 . 72 VAL HB H 1.99 . 1 575 . 72 VAL HG1 H .55 . 2 576 . 72 VAL HG2 H .71 . 2 577 . 73 LEU CA C 53.72 . 1 578 . 73 LEU HA H 4.17 . 1 579 . 73 LEU CB C 42.36 . 1 580 . 73 LEU CG C 26.26 . 1 581 . 73 LEU HB2 H 1.36 . 2 582 . 73 LEU HB3 H 1.48 . 2 583 . 73 LEU CD1 C 23.63 . 1 584 . 73 LEU CD2 C 23.63 . 1 585 . 73 LEU HG H 1.35 . 1 586 . 73 LEU HD1 H .43 . 2 587 . 73 LEU HD2 H .59 . 2 588 . 74 LYS CA C 55 . 1 589 . 74 LYS HA H 4.42 . 1 590 . 74 LYS CB C 33.5 . 1 591 . 74 LYS CG C 24.46 . 1 592 . 74 LYS HB2 H 1.56 . 2 593 . 74 LYS HB3 H 1.86 . 2 594 . 74 LYS CD C 28.57 . 1 595 . 74 LYS HG2 H 1.22 . 2 596 . 74 LYS HG3 H 1.33 . 2 597 . 74 LYS CE C 40.9 . 1 598 . 74 LYS HD2 H 1.67 . 1 599 . 74 LYS HD3 H 1.67 . 1 600 . 74 LYS HE2 H 2.94 . 1 601 . 74 LYS HE3 H 2.94 . 1 602 . 75 ASP CA C 55.19 . 1 603 . 75 ASP HA H 4.15 . 1 604 . 75 ASP CB C 38.75 . 1 605 . 75 ASP HB2 H 2.81 . 2 606 . 75 ASP HB3 H 2.66 . 2 607 . 76 ASP CA C 55.03 . 1 608 . 76 ASP HA H 4.07 . 1 609 . 76 ASP CB C 39.58 . 1 610 . 76 ASP HB2 H 2.86 . 2 611 . 76 ASP HB3 H 2.79 . 2 612 . 77 LYS CA C 52.56 . 1 613 . 77 LYS HA H 4.66 . 1 614 . 77 LYS CB C 33.99 . 1 615 . 77 LYS CG C 23.31 . 1 616 . 77 LYS HB2 H 1.6 . 2 617 . 77 LYS HB3 H 1.67 . 2 618 . 77 LYS CD C 28.56 . 1 619 . 77 LYS HG2 H 1.39 . 1 620 . 77 LYS HG3 H 1.39 . 1 621 . 77 LYS CE C 41.23 . 1 622 . 77 LYS HD2 H 1.78 . 1 623 . 77 LYS HD3 H 1.78 . 1 624 . 77 LYS HE2 H 3.17 . 1 625 . 77 LYS HE3 H 3.17 . 1 626 . 78 PRO CA C 62.92 . 1 627 . 78 PRO HA H 3.19 . 1 628 . 78 PRO CB C 31.04 . 1 629 . 78 PRO CG C 26.01 . 1 630 . 78 PRO HB2 H .31 . 2 631 . 78 PRO HB3 H .19 . 2 632 . 78 PRO CD C 50.47 . 1 633 . 78 PRO HG2 H .29 . 2 634 . 78 PRO HG3 H .03 . 2 635 . 78 PRO HD2 H 3.06 . 2 636 . 78 PRO HD3 H 2.08 . 2 637 . 79 THR CA C 61.6 . 1 638 . 79 THR HA H 4.58 . 1 639 . 79 THR CB C 72.28 . 1 640 . 79 THR CG2 C 20.35 . 1 641 . 79 THR HB H 3.93 . 1 642 . 79 THR HG2 H 1.2 . 1 643 . 80 LEU CA C 53.39 . 1 644 . 80 LEU HA H 5.13 . 1 645 . 80 LEU CB C 43.86 . 1 646 . 80 LEU CG C 26.43 . 1 647 . 80 LEU HB2 H 1.5 . 2 648 . 80 LEU HB3 H 2 . 2 649 . 80 LEU CD1 C 23.8 . 2 650 . 80 LEU CD2 C 25.61 . 2 651 . 80 LEU HG H 1.6 . 1 652 . 80 LEU HD1 H .75 . 2 653 . 80 LEU HD2 H 1.09 . 2 654 . 81 GLN CA C 53.06 . 1 655 . 81 GLN HA H 4.98 . 1 656 . 81 GLN CB C 31.69 . 1 657 . 81 GLN CG C 32.18 . 1 658 . 81 GLN HB2 H 2.11 . 1 659 . 81 GLN HB3 H 2.11 . 1 660 . 81 GLN HG2 H 2.51 . 2 661 . 81 GLN HG3 H 2.69 . 2 662 . 82 LEU CA C 53.72 . 1 663 . 82 LEU HA H 5.01 . 1 664 . 82 LEU CB C 42.04 . 1 665 . 82 LEU CG C 28.22 . 1 666 . 82 LEU HB2 H 1.39 . 2 667 . 82 LEU HB3 H 1.86 . 2 668 . 82 LEU CD1 C 24.46 . 1 669 . 82 LEU CD2 C 24.46 . 1 670 . 82 LEU HG H 1.61 . 1 671 . 82 LEU HD1 H .75 . 1 672 . 82 LEU HD2 H .75 . 1 673 . 83 GLU CA C 54.05 . 1 674 . 83 GLU HA H 4.63 . 1 675 . 83 GLU CB C 32.84 . 1 676 . 83 GLU CG C 36.62 . 1 677 . 83 GLU HB2 H 1.95 . 2 678 . 83 GLU HB3 H 2.1 . 2 679 . 83 GLU HG2 H 2.31 . 1 680 . 83 GLU HG3 H 2.31 . 1 681 . 84 SER CA C 57.82 . 1 682 . 84 SER HA H 5.15 . 1 683 . 84 SER CB C 63.08 . 1 684 . 84 SER HB2 H 3.9 . 2 685 . 84 SER HB3 H 3.92 . 2 686 . 85 VAL CA C 57.66 . 1 687 . 85 VAL HA H 4.59 . 1 688 . 85 VAL CB C 34.46 . 1 689 . 85 VAL CG1 C 17.89 . 2 690 . 85 VAL CG2 C 19.86 . 2 691 . 85 VAL HB H 1.52 . 1 692 . 85 VAL HG1 H .25 . 2 693 . 85 VAL HG2 H .33 . 2 694 . 86 ASP CA C 50.59 . 1 695 . 86 ASP HA H 4.9 . 1 696 . 86 ASP CB C 41.55 . 1 697 . 86 ASP HB2 H 2.96 . 2 698 . 86 ASP HB3 H 2.69 . 2 699 . 87 PRO CA C 63.58 . 1 700 . 87 PRO HA H 4.52 . 1 701 . 87 PRO CB C 31.69 . 1 702 . 87 PRO CG C 26.69 . 1 703 . 87 PRO HB2 H 2.36 . 2 704 . 87 PRO HB3 H 2.08 . 2 705 . 87 PRO CD C 50.76 . 1 706 . 87 PRO HG2 H 1.99 . 2 707 . 87 PRO HG3 H 2.05 . 2 708 . 87 PRO HD2 H 4.18 . 2 709 . 87 PRO HD3 H 4.05 . 2 710 . 88 LYS CA C 57.16 . 1 711 . 88 LYS HA H 4.24 . 1 712 . 88 LYS CB C 31.52 . 1 713 . 88 LYS CG C 24.29 . 1 714 . 88 LYS HB2 H 1.72 . 2 715 . 88 LYS HB3 H 1.83 . 2 716 . 88 LYS CD C 28.41 . 1 717 . 88 LYS HG2 H 1.47 . 1 718 . 88 LYS HG3 H 1.47 . 1 719 . 88 LYS CE C 41.06 . 1 720 . 88 LYS HD2 H 1.72 . 1 721 . 88 LYS HD3 H 1.72 . 1 722 . 88 LYS HE2 H 3.03 . 1 723 . 88 LYS HE3 H 3.03 . 1 724 . 89 ASN CA C 52.4 . 1 725 . 89 ASN HA H 4.75 . 1 726 . 89 ASN CB C 40.73 . 1 727 . 89 ASN HB2 H 2.59 . 2 728 . 89 ASN HB3 H 2.64 . 2 729 . 90 TYR CA C 55.69 . 1 730 . 90 TYR HA H 4.19 . 1 731 . 90 TYR CB C 40.89 . 1 732 . 90 TYR HB2 H 2.3 . 2 733 . 90 TYR HB3 H 2.5 . 2 734 . 90 TYR CD1 C 132.16 . 1 735 . 90 TYR CD2 C 132.16 . 1 736 . 90 TYR CE1 C 117.48 . 1 737 . 90 TYR HD1 H 6.74 . 1 738 . 90 TYR CE2 C 117.48 . 1 739 . 90 TYR HD2 H 6.74 . 1 740 . 90 TYR HE1 H 6.63 . 1 741 . 90 TYR HE2 H 6.63 . 1 742 . 91 PRO CA C 62.26 . 1 743 . 91 PRO HA H 4.25 . 1 744 . 91 PRO CB C 33.67 . 1 745 . 91 PRO CG C 24.21 . 1 746 . 91 PRO HB2 H 2.32 . 2 747 . 91 PRO HB3 H 1.92 . 2 748 . 91 PRO CD C 49.27 . 1 749 . 91 PRO HG2 H 1.67 . 2 750 . 91 PRO HG3 H 1.94 . 2 751 . 91 PRO HD2 H 3.67 . 2 752 . 91 PRO HD3 H 2.44 . 2 753 . 92 LYS CA C 55.03 . 1 754 . 92 LYS HA H 4.42 . 1 755 . 92 LYS HB2 H 1.64 . 1 756 . 92 LYS HB3 H 1.64 . 1 757 . 92 LYS HE2 H 2.97 . 1 758 . 92 LYS HE3 H 2.97 . 1 759 . 93 LYS CA C 58.8 . 1 760 . 93 LYS HA H 4 . 1 761 . 93 LYS CB C 32.18 . 1 762 . 93 LYS CG C 24.62 . 1 763 . 93 LYS HB2 H 1.75 . 1 764 . 93 LYS HB3 H 1.75 . 1 765 . 93 LYS CD C 28.56 . 1 766 . 93 LYS HG2 H 1.47 . 2 767 . 93 LYS HG3 H 1.53 . 2 768 . 93 LYS CE C 41.06 . 1 769 . 93 LYS HD2 H 1.75 . 1 770 . 93 LYS HD3 H 1.75 . 1 771 . 93 LYS HE2 H 3 . 1 772 . 93 LYS HE3 H 3 . 1 773 . 94 LYS CA C 53.72 . 1 774 . 94 LYS HA H 4.61 . 1 775 . 94 LYS CB C 33.99 . 1 776 . 94 LYS CG C 24.46 . 1 777 . 94 LYS HB2 H 1.56 . 2 778 . 94 LYS HB3 H 1.78 . 2 779 . 94 LYS CD C 28.73 . 1 780 . 94 LYS HG2 H 1.25 . 2 781 . 94 LYS HG3 H 1.33 . 2 782 . 94 LYS CE C 41.71 . 1 783 . 94 LYS HD2 H 1.67 . 1 784 . 94 LYS HD3 H 1.67 . 1 785 . 94 LYS HE2 H 2.96 . 1 786 . 94 LYS HE3 H 2.96 . 1 787 . 95 MET CA C 53.39 . 1 788 . 95 MET HA H 4.23 . 1 789 . 95 MET CB C 33.67 . 1 790 . 95 MET CG C 32.68 . 1 791 . 95 MET HB2 H 1.76 . 2 792 . 95 MET HB3 H 2 . 2 793 . 95 MET HG2 H 2.5 . 2 794 . 95 MET HG3 H 2.75 . 2 795 . 96 GLU CA C 58.65 . 1 796 . 96 GLU HA H 4.09 . 1 797 . 96 GLU CB C 28.08 . 1 798 . 96 GLU CG C 36.95 . 1 799 . 96 GLU HB2 H 2.08 . 2 800 . 96 GLU HB3 H 2.23 . 2 801 . 96 GLU HG2 H 2.44 . 2 802 . 96 GLU HG3 H 2.73 . 2 803 . 97 LYS CA C 59.13 . 1 804 . 97 LYS HA H 3.75 . 1 805 . 97 LYS CB C 31.85 . 1 806 . 97 LYS CG C 24.61 . 1 807 . 97 LYS HB2 H 1.65 . 2 808 . 97 LYS HB3 H 1.75 . 2 809 . 97 LYS CD C 28.24 . 1 810 . 97 LYS HG2 H 1.53 . 1 811 . 97 LYS HG3 H 1.53 . 1 812 . 97 LYS CE C 41.06 . 1 813 . 97 LYS HD2 H 1.26 . 2 814 . 97 LYS HD3 H 1.33 . 2 815 . 97 LYS HE2 H 2.83 . 1 816 . 97 LYS HE3 H 2.83 . 1 817 . 98 ARG CA C 58.15 . 1 818 . 98 ARG HA H 3.89 . 1 819 . 98 ARG CB C 32.35 . 1 820 . 98 ARG CG C 29.06 . 1 821 . 98 ARG HB2 H 1.33 . 2 822 . 98 ARG HB3 H 1.42 . 2 823 . 98 ARG CD C 41.23 . 1 824 . 98 ARG HG2 H 1.53 . 2 825 . 98 ARG HG3 H 1.58 . 2 826 . 98 ARG HD2 H 2.92 . 2 827 . 98 ARG HD3 H 2.97 . 2 828 . 99 PHE CA C 57.16 . 1 829 . 99 PHE HA H 5.16 . 1 830 . 99 PHE CB C 40.73 . 1 831 . 99 PHE HB2 H 3.69 . 2 832 . 99 PHE HB3 H 2.87 . 2 833 . 99 PHE CD1 C 131.02 . 1 834 . 99 PHE CD2 C 131.02 . 1 835 . 99 PHE CE1 C 130.53 . 1 836 . 99 PHE HD1 H 7.51 . 1 837 . 99 PHE CE2 C 130.53 . 1 838 . 99 PHE HD2 H 7.51 . 1 839 . 99 PHE CZ C 129.22 . 1 840 . 99 PHE HE1 H 7.04 . 1 841 . 99 PHE HE2 H 7.04 . 1 842 . 99 PHE HZ H 6.89 . 1 843 . 100 VAL CA C 62.9 . 1 844 . 100 VAL HA H 4.36 . 1 845 . 100 VAL CB C 31.69 . 1 846 . 100 VAL CG1 C 20.85 . 2 847 . 100 VAL CG2 C 22.49 . 2 848 . 100 VAL HB H 1.92 . 1 849 . 100 VAL HG1 H .82 . 2 850 . 100 VAL HG2 H .9 . 2 851 . 101 PHE CA C 55.36 . 1 852 . 101 PHE HA H 5.15 . 1 853 . 101 PHE CB C 41.88 . 1 854 . 101 PHE HB2 H 2.7 . 2 855 . 101 PHE HB3 H 2.67 . 2 856 . 101 PHE CD1 C 130.85 . 1 857 . 101 PHE CD2 C 130.85 . 1 858 . 101 PHE CE1 C 130.37 . 1 859 . 101 PHE HD1 H 6.98 . 1 860 . 101 PHE CE2 C 130.37 . 1 861 . 101 PHE HD2 H 6.98 . 1 862 . 101 PHE CZ C 128.74 . 1 863 . 101 PHE HE1 H 7.06 . 1 864 . 101 PHE HE2 H 7.06 . 1 865 . 101 PHE HZ H 6.81 . 1 866 . 102 ASN CA C 51.91 . 1 867 . 102 ASN HA H 5.01 . 1 868 . 102 ASN CB C 38.92 . 1 869 . 102 ASN HB2 H 2.29 . 2 870 . 102 ASN HB3 H 2.92 . 2 871 . 103 LYS CA C 55.52 . 1 872 . 103 LYS HA H 4.64 . 1 873 . 104 ILE CA C 59.96 . 1 874 . 104 ILE HA H 4.45 . 1 875 . 104 ILE CB C 40.89 . 1 876 . 104 ILE CG1 C 27.25 . 1 877 . 104 ILE CG2 C 16.9 . 1 878 . 104 ILE HB H 1.74 . 1 879 . 104 ILE CD1 C 11.64 . 1 880 . 104 ILE HG12 H 1 . 2 881 . 104 ILE HG13 H 1.61 . 2 882 . 104 ILE HG2 H .9 . 1 883 . 104 ILE HD1 H 1.07 . 1 884 . 105 GLU CA C 54.21 . 1 885 . 105 GLU HA H 5.14 . 1 886 . 105 GLU CB C 30.54 . 1 887 . 105 GLU CG C 35.47 . 1 888 . 105 GLU HB2 H 1.73 . 2 889 . 105 GLU HB3 H 1.94 . 2 890 . 105 GLU HG2 H 2.05 . 2 891 . 105 GLU HG3 H 2.14 . 2 892 . 106 ILE CA C 58.64 . 1 893 . 106 ILE HA H 4.33 . 1 894 . 106 ILE CB C 39.91 . 1 895 . 106 ILE CG1 C 27.09 . 1 896 . 106 ILE CG2 C 15.59 . 1 897 . 106 ILE HB H 1.68 . 1 898 . 106 ILE CD1 C 12.96 . 1 899 . 106 ILE HG12 H 1.03 . 2 900 . 106 ILE HG13 H 1.36 . 2 901 . 106 ILE HG2 H .8 . 1 902 . 106 ILE HD1 H .78 . 1 903 . 107 ASN CA C 53.87 . 1 904 . 107 ASN HA H 4.27 . 1 905 . 107 ASN CB C 36.45 . 1 906 . 107 ASN HB2 H 2.72 . 2 907 . 107 ASN HB3 H 2.99 . 2 908 . 108 ASN CA C 54.21 . 1 909 . 108 ASN HA H 4.38 . 1 910 . 108 ASN CB C 37.11 . 1 911 . 108 ASN HB2 H 3.02 . 1 912 . 108 ASN HB3 H 3.02 . 1 913 . 109 LYS CA C 54.15 . 1 914 . 109 LYS HA H 4.81 . 1 915 . 109 LYS CB C 34.71 . 1 916 . 109 LYS CG C 24.46 . 1 917 . 109 LYS HB2 H 1.86 . 2 918 . 109 LYS HB3 H 1.94 . 2 919 . 109 LYS CD C 28.24 . 1 920 . 109 LYS HG2 H 1.39 . 2 921 . 109 LYS HG3 H 1.47 . 2 922 . 109 LYS CE C 41.23 . 1 923 . 109 LYS HD2 H 1.47 . 2 924 . 109 LYS HD3 H 1.64 . 2 925 . 109 LYS HE2 H 2.97 . 1 926 . 109 LYS HE3 H 2.97 . 1 927 . 110 LEU CA C 53.06 . 1 928 . 110 LEU HA H 5.42 . 1 929 . 110 LEU CB C 45.17 . 1 930 . 110 LEU CG C 26.76 . 1 931 . 110 LEU HB2 H .94 . 2 932 . 110 LEU HB3 H 1.36 . 2 933 . 110 LEU CD1 C 24.13 . 2 934 . 110 LEU CD2 C 25.94 . 2 935 . 110 LEU HG H 1.54 . 1 936 . 110 LEU HD1 H .73 . 2 937 . 110 LEU HD2 H .77 . 2 938 . 111 GLU CA C 53.06 . 1 939 . 111 GLU HA H 5 . 1 940 . 111 GLU CB C 31.52 . 1 941 . 111 GLU CG C 32.35 . 1 942 . 111 GLU HB2 H 1.99 . 1 943 . 111 GLU HB3 H 1.99 . 1 944 . 111 GLU HG2 H 2.11 . 2 945 . 111 GLU HG3 H 2.22 . 2 946 . 112 PHE CA C 55.69 . 1 947 . 112 PHE HA H 5.23 . 1 948 . 112 PHE CB C 41.23 . 1 949 . 112 PHE HB2 H 2.54 . 2 950 . 112 PHE HB3 H 2.36 . 2 951 . 112 PHE CD1 C 130.53 . 1 952 . 112 PHE CD2 C 130.53 . 1 953 . 112 PHE CE1 C 130.53 . 1 954 . 112 PHE HD1 H 6.62 . 1 955 . 112 PHE CE2 C 130.53 . 1 956 . 112 PHE HD2 H 6.62 . 1 957 . 112 PHE CZ C 129.22 . 1 958 . 112 PHE HE1 H 6.65 . 1 959 . 112 PHE HE2 H 6.65 . 1 960 . 112 PHE HZ H 6.63 . 1 961 . 113 GLU CA C 53.87 . 1 962 . 113 GLU HA H 4.47 . 1 963 . 113 GLU CB C 28.73 . 1 964 . 113 GLU CG C 33.99 . 1 965 . 113 GLU HB2 H 1.42 . 1 966 . 113 GLU HB3 H 1.42 . 1 967 . 113 GLU HG2 H 2.56 . 2 968 . 113 GLU HG3 H 2.66 . 2 969 . 114 SER CA C 58.65 . 1 970 . 114 SER HA H 3.9 . 1 971 . 114 SER CB C 62.59 . 1 972 . 114 SER HB2 H 4.1 . 2 973 . 114 SER HB3 H 4.37 . 2 974 . 115 ALA CA C 53.06 . 1 975 . 115 ALA HA H 4.05 . 1 976 . 115 ALA CB C 17.72 . 1 977 . 115 ALA HB H 1.17 . 1 978 . 116 GLN CA C 56.02 . 1 979 . 116 GLN HA H 3.61 . 1 980 . 116 GLN CB C 28.73 . 1 981 . 116 GLN CG C 32.35 . 1 982 . 116 GLN HB2 H .98 . 2 983 . 116 GLN HB3 H 1.42 . 2 984 . 116 GLN HG2 H .72 . 2 985 . 116 GLN HG3 H 1.31 . 2 986 . 117 PHE CA C 52.89 . 1 987 . 117 PHE HA H 4.86 . 1 988 . 117 PHE CB C 38.27 . 1 989 . 117 PHE HB2 H 2.64 . 2 990 . 117 PHE HB3 H 2.58 . 2 991 . 117 PHE CD1 C 132.16 . 1 992 . 117 PHE CD2 C 132.16 . 1 993 . 117 PHE CE1 C 129.87 . 1 994 . 117 PHE HD1 H 6.91 . 1 995 . 117 PHE CE2 C 129.87 . 1 996 . 117 PHE HD2 H 6.91 . 1 997 . 117 PHE CZ C 128.41 . 1 998 . 117 PHE HE1 H 6.81 . 1 999 . 117 PHE HE2 H 6.81 . 1 1000 . 117 PHE HZ H 6.91 . 1 1001 . 118 PRO CA C 62.92 . 1 1002 . 118 PRO HA H 4.4 . 1 1003 . 118 PRO CB C 31.69 . 1 1004 . 118 PRO CG C 27.09 . 1 1005 . 118 PRO HB2 H 2.29 . 2 1006 . 118 PRO HB3 H 1.78 . 2 1007 . 118 PRO CD C 49.44 . 1 1008 . 118 PRO HG2 H 1.87 . 2 1009 . 118 PRO HG3 H 2 . 2 1010 . 118 PRO HD2 H 3.54 . 2 1011 . 118 PRO HD3 H 3.31 . 2 1012 . 119 ASN CA C 54.86 . 1 1013 . 119 ASN HA H 4.04 . 1 1014 . 119 ASN CB C 37.44 . 1 1015 . 119 ASN HB2 H 3.03 . 2 1016 . 119 ASN HB3 H 3.37 . 2 1017 . 120 TRP CA C 56.51 . 1 1018 . 120 TRP HA H 4.98 . 1 1019 . 120 TRP CB C 28.73 . 1 1020 . 120 TRP HB2 H 3.67 . 2 1021 . 120 TRP HB3 H 2.92 . 2 1022 . 120 TRP HD1 H 7.3 . 1 1023 . 120 TRP CE3 C 118.95 . 1 1024 . 120 TRP CZ2 C 113.73 . 1 1025 . 120 TRP CZ3 C 121.24 . 1 1026 . 120 TRP HE3 H 7.1 . 1 1027 . 120 TRP CH2 C 123.84 . 1 1028 . 120 TRP HZ2 H 7.45 . 1 1029 . 120 TRP HZ3 H 7.21 . 1 1030 . 120 TRP HH2 H 7.21 . 1 1031 . 121 TYR CA C 56.02 . 1 1032 . 121 TYR HA H 5.64 . 1 1033 . 121 TYR CB C 41.39 . 1 1034 . 121 TYR HB2 H 2.41 . 2 1035 . 121 TYR HB3 H 3.5 . 2 1036 . 121 TYR CD1 C 132.65 . 1 1037 . 121 TYR CD2 C 132.65 . 1 1038 . 121 TYR CE1 C 117.32 . 1 1039 . 121 TYR HD1 H 7.01 . 1 1040 . 121 TYR CE2 C 117.32 . 1 1041 . 121 TYR HD2 H 7.01 . 1 1042 . 121 TYR HE1 H 6.63 . 1 1043 . 121 TYR HE2 H 6.63 . 1 1044 . 122 ILE CA C 65.6 . 1 1045 . 122 ILE HA H 3.84 . 1 1046 . 122 ILE CB C 36.29 . 1 1047 . 122 ILE CG1 C 28.08 . 1 1048 . 122 ILE CG2 C 15.59 . 1 1049 . 122 ILE HB H 1.62 . 1 1050 . 122 ILE CD1 C 10.82 . 1 1051 . 122 ILE HG12 H .5 . 2 1052 . 122 ILE HG13 H 1.5 . 2 1053 . 122 ILE HG2 H .41 . 1 1054 . 122 ILE HD1 H -.49 . 1 1055 . 123 SER CA C 57 . 1 1056 . 123 SER HA H 5.82 . 1 1057 . 123 SER CB C 66.87 . 1 1058 . 123 SER HB2 H 2.06 . 2 1059 . 123 SER HB3 H 3 . 2 1060 . 124 THR CA C 57.99 . 1 1061 . 124 THR HA H 4.83 . 1 1062 . 124 THR CB C 70.31 . 1 1063 . 124 THR CG2 C 21.01 . 1 1064 . 124 THR HB H 4.39 . 1 1065 . 124 THR HG2 H 1.16 . 1 1066 . 125 SER CA C 56.18 . 1 1067 . 125 SER HA H 4.97 . 1 1068 . 125 SER CB C 63.74 . 1 1069 . 125 SER HB2 H 3.93 . 2 1070 . 125 SER HB3 H 3.98 . 2 1071 . 126 GLN CA C 57.66 . 1 1072 . 126 GLN HA H 3.98 . 1 1073 . 126 GLN CB C 28.24 . 1 1074 . 126 GLN CG C 33.34 . 1 1075 . 126 GLN HB2 H 2.01 . 2 1076 . 126 GLN HB3 H 2.24 . 2 1077 . 126 GLN HG2 H 2.38 . 2 1078 . 126 GLN HG3 H 2.63 . 2 1079 . 127 ALA CA C 50.92 . 1 1080 . 127 ALA HA H 4.38 . 1 1081 . 127 ALA CB C 19.2 . 1 1082 . 127 ALA HB H 1.44 . 1 1083 . 128 GLU CA C 53.52 . 1 1084 . 128 GLU HA H 4.04 . 1 1085 . 128 GLU CB C 30.71 . 1 1086 . 128 GLU CG C 34.32 . 1 1087 . 128 GLU HB2 H 1.96 . 2 1088 . 128 GLU HB3 H 2.27 . 2 1089 . 128 GLU HG2 H 2.5 . 2 1090 . 128 GLU HG3 H 2.56 . 2 1091 . 129 ASN CA C 53.87 . 1 1092 . 129 ASN HA H 4.18 . 1 1093 . 129 ASN CB C 37.44 . 1 1094 . 129 ASN HB2 H 2.55 . 2 1095 . 129 ASN HB3 H 3.31 . 2 1096 . 130 MET CA C 51.58 . 1 1097 . 130 MET HA H 5.23 . 1 1098 . 130 MET CB C 31.36 . 1 1099 . 130 MET CG C 32.02 . 1 1100 . 130 MET HB2 H 2.15 . 2 1101 . 130 MET HB3 H 2.36 . 2 1102 . 130 MET HG2 H 2.36 . 2 1103 . 130 MET HG3 H 2.72 . 2 1104 . 131 PRO CA C 62.26 . 1 1105 . 131 PRO HA H 5.2 . 1 1106 . 131 PRO CB C 32.35 . 1 1107 . 131 PRO CG C 27.75 . 1 1108 . 131 PRO HB2 H 1.95 . 2 1109 . 131 PRO HB3 H 2.53 . 2 1110 . 131 PRO CD C 50.43 . 1 1111 . 131 PRO HG2 H 2 . 2 1112 . 131 PRO HG3 H 2.17 . 2 1113 . 131 PRO HD2 H 4.02 . 2 1114 . 131 PRO HD3 H 3.78 . 2 1115 . 132 VAL CA C 62.26 . 1 1116 . 132 VAL HA H 4.42 . 1 1117 . 132 VAL CB C 31.69 . 1 1118 . 132 VAL CG1 C 20.52 . 2 1119 . 132 VAL CG2 C 22.82 . 2 1120 . 132 VAL HB H 1.75 . 1 1121 . 132 VAL HG1 H .86 . 1 1122 . 132 VAL HG2 H .86 . 1 1123 . 133 PHE CA C 54.86 . 1 1124 . 133 PHE HA H 5.27 . 1 1125 . 133 PHE CB C 41.55 . 1 1126 . 133 PHE HB2 H 3.3 . 2 1127 . 133 PHE HB3 H 2.97 . 2 1128 . 133 PHE CD1 C 133.14 . 1 1129 . 133 PHE CD2 C 133.14 . 1 1130 . 133 PHE CE1 C 130.2 . 1 1131 . 133 PHE HD1 H 7.31 . 1 1132 . 133 PHE CE2 C 130.2 . 1 1133 . 133 PHE HD2 H 7.31 . 1 1134 . 133 PHE CZ C 129.22 . 1 1135 . 133 PHE HE1 H 7.23 . 1 1136 . 133 PHE HE2 H 7.23 . 1 1137 . 133 PHE HZ H 7.13 . 1 1138 . 134 LEU CA C 53.06 . 1 1139 . 134 LEU HA H 5.24 . 1 1140 . 134 LEU CB C 43.36 . 1 1141 . 134 LEU CG C 27.58 . 1 1142 . 134 LEU HB2 H 1.67 . 2 1143 . 134 LEU HB3 H 1.89 . 2 1144 . 134 LEU CD1 C 24.13 . 2 1145 . 134 LEU CD2 C 24.29 . 2 1146 . 134 LEU HG H 1.97 . 1 1147 . 134 LEU HD1 H .89 . 2 1148 . 134 LEU HD2 H 1 . 2 1149 . 135 GLY CA C 44.68 . 1 1150 . 135 GLY HA2 H 4.92 . 2 1151 . 135 GLY HA3 H 4.02 . 2 1152 . 136 GLY CA C 44.02 . 1 1153 . 136 GLY HA2 H 3.84 . 2 1154 . 136 GLY HA3 H 2.93 . 2 1155 . 137 THR CA C 59.63 . 1 1156 . 137 THR HA H 4.31 . 1 1157 . 137 THR CB C 70.15 . 1 1158 . 137 THR CG2 C 20.52 . 1 1159 . 137 THR HB H 3.99 . 1 1160 . 137 THR HG2 H .96 . 1 1161 . 138 LYS CA C 55.52 . 1 1162 . 138 LYS HA H 4.32 . 1 1163 . 138 LYS CB C 32.35 . 1 1164 . 138 LYS CG C 23.96 . 1 1165 . 138 LYS HB2 H 1.63 . 1 1166 . 138 LYS HB3 H 1.63 . 1 1167 . 138 LYS CD C 28.24 . 1 1168 . 138 LYS HG2 H 1.24 . 2 1169 . 138 LYS HG3 H 1.19 . 2 1170 . 138 LYS CE C 41.06 . 1 1171 . 138 LYS HD2 H 1.39 . 2 1172 . 138 LYS HD3 H 1.47 . 2 1173 . 138 LYS HE2 H 2.81 . 1 1174 . 138 LYS HE3 H 2.81 . 1 1175 . 139 GLY CA C 45 . 1 1176 . 139 GLY HA2 H 4.02 . 2 1177 . 139 GLY HA3 H 3.83 . 2 1178 . 140 GLY CA C 44.35 . 1 1179 . 140 GLY HA2 H 4.2 . 2 1180 . 140 GLY HA3 H 3.78 . 2 1181 . 141 GLN CA C 55.85 . 1 1182 . 141 GLN HA H 4.29 . 1 1183 . 141 GLN CB C 28.89 . 1 1184 . 141 GLN CG C 33.01 . 1 1185 . 141 GLN HB2 H 2 . 2 1186 . 141 GLN HB3 H 2.2 . 2 1187 . 141 GLN HG2 H 2.39 . 1 1188 . 141 GLN HG3 H 2.39 . 1 1189 . 142 ASP CA C 53.55 . 1 1190 . 142 ASP HA H 4.93 . 1 1191 . 142 ASP CB C 41.06 . 1 1192 . 142 ASP HB2 H 2.57 . 2 1193 . 142 ASP HB3 H 2.82 . 2 1194 . 143 ILE CA C 61.28 . 1 1195 . 143 ILE HA H 4 . 1 1196 . 143 ILE CB C 35.97 . 1 1197 . 143 ILE CG1 C 27.08 . 1 1198 . 143 ILE CG2 C 18.87 . 1 1199 . 143 ILE HB H 2.53 . 1 1200 . 143 ILE CD1 C 13.28 . 1 1201 . 143 ILE HG12 H 1.39 . 2 1202 . 143 ILE HG13 H 2.42 . 2 1203 . 143 ILE HG2 H .78 . 1 1204 . 143 ILE HD1 H .53 . 1 1205 . 144 THR CA C 59.96 . 1 1206 . 144 THR HA H 4.99 . 1 1207 . 144 THR CB C 70.81 . 1 1208 . 144 THR CG2 C 21.33 . 1 1209 . 144 THR HB H 4.39 . 1 1210 . 144 THR HG2 H .96 . 1 1211 . 145 ASP CA C 52.23 . 1 1212 . 145 ASP HA H 5.58 . 1 1213 . 145 ASP CB C 42.7 . 1 1214 . 145 ASP HB2 H 2.42 . 2 1215 . 145 ASP HB3 H 2.54 . 2 1216 . 146 PHE CA C 55.69 . 1 1217 . 146 PHE HA H 5.22 . 1 1218 . 146 PHE CB C 43.69 . 1 1219 . 146 PHE HB2 H 2.63 . 2 1220 . 146 PHE HB3 H 3.09 . 2 1221 . 146 PHE CD1 C 130.85 . 1 1222 . 146 PHE CD2 C 130.85 . 1 1223 . 146 PHE CE1 C 130.37 . 1 1224 . 146 PHE HD1 H 7.01 . 1 1225 . 146 PHE CE2 C 130.37 . 1 1226 . 146 PHE HD2 H 7.01 . 1 1227 . 146 PHE CZ C 128.74 . 1 1228 . 146 PHE HE1 H 7.11 . 1 1229 . 146 PHE HE2 H 7.11 . 1 1230 . 146 PHE HZ H 6.81 . 1 1231 . 147 THR CA C 60.78 . 1 1232 . 147 THR HA H 4.74 . 1 1233 . 147 THR CB C 69.65 . 1 1234 . 147 THR CG2 C 20.52 . 1 1235 . 147 THR HB H 4.19 . 1 1236 . 147 THR HG2 H 1.22 . 1 1237 . 148 MET CA C 53.22 . 1 1238 . 148 MET HA H 5.39 . 1 1239 . 148 MET CB C 36.78 . 1 1240 . 148 MET CG C 31.2 . 1 1241 . 148 MET HB2 H 1.78 . 1 1242 . 148 MET HB3 H 1.78 . 1 1243 . 148 MET HG2 H 2 . 2 1244 . 148 MET HG3 H 2.21 . 2 1245 . 149 GLN CA C 53.55 . 1 1246 . 149 GLN HA H 4.63 . 1 1247 . 149 GLN CB C 29.55 . 1 1248 . 149 GLN CG C 33.67 . 1 1249 . 149 GLN HB2 H 1.99 . 2 1250 . 149 GLN HB3 H 2.07 . 2 1251 . 149 GLN HG2 H 2.25 . 2 1252 . 149 GLN HG3 H 2.31 . 2 1253 . 150 PHE CA C 57.82 . 1 1254 . 150 PHE HA H 4.77 . 1 1255 . 150 PHE CB C 38.76 . 1 1256 . 150 PHE HB2 H 3.03 . 2 1257 . 150 PHE HB3 H 3.26 . 2 1258 . 150 PHE CD1 C 130.85 . 1 1259 . 150 PHE CD2 C 130.85 . 1 1260 . 150 PHE CE1 C 130.85 . 1 1261 . 150 PHE HD1 H 7.33 . 1 1262 . 150 PHE CE2 C 130.85 . 1 1263 . 150 PHE HD2 H 7.33 . 1 1264 . 150 PHE CZ C 129.06 . 1 1265 . 150 PHE HE1 H 7.39 . 1 1266 . 150 PHE HE2 H 7.39 . 1 1267 . 150 PHE HZ H 7.39 . 1 1268 . 151 VAL CA C 60.9 . 1 1269 . 151 VAL HA H 4.36 . 1 1270 . 151 VAL CB C 33 . 1 1271 . 151 VAL CG1 C 20.66 . 2 1272 . 151 VAL CG2 C 22.16 . 2 1273 . 151 VAL HB H 1.84 . 1 1274 . 151 VAL HG1 H .9 . 2 1275 . 151 VAL HG2 H .95 . 2 1276 . 152 SER CA C 57.82 . 1 1277 . 152 SER HA H 4.48 . 1 1278 . 152 SER CB C 63.41 . 1 1279 . 152 SER HB2 H 3.94 . 1 1280 . 152 SER HB3 H 3.94 . 1 1281 . 153 SER CA C 59.14 . 1 1282 . 153 SER HA H 4.31 . 1 1283 . 153 SER CB C 64.4 . 1 1284 . 153 SER HB2 H 3.89 . 1 1285 . 153 SER HB3 H 3.89 . 1 stop_ save_