data_16614 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of a highly-soluble murine interleukin-3 analogue with wild-type bioactivity ; _BMRB_accession_number 16614 _BMRB_flat_file_name bmr16614.str _Entry_type original _Submission_date 2009-11-22 _Accession_date 2009-11-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yao Shenggen . . 2 Murphy James M. . 3 Low Andrew . . 4 Norton Raymond S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 667 "13C chemical shifts" 457 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-05 original author . stop_ _Original_release_date 2010-05-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments of a highly-soluble murine interleukin-3 analogue with wild-type bioactivity.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20174897 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yao Shenggen . . 2 Murphy James M. . 3 Low Andrew . . 4 Norton Raymond S. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 73 _Page_last 77 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'a single polypeptide chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mIL3(33-156) $mIL3 stop_ _System_molecular_weight 14286 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function cytokine stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mIL3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mIL3 _Molecular_mass 14286 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function cytokine 'haematopoietic growth factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; GAMDTHRLTRTLNCSSIVKE IIGKLPEPELKTDDEGPSLR NKSFRRVNLSKFVESQGEVD PEDRYVIKSNLQKLNACLPT SANDSALPGVFIRDLDDFRK KLRFYMVHLNDLETVLTSRP PQPASGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 30 GLY 2 31 ALA 3 32 MET 4 33 ASP 5 34 THR 6 35 HIS 7 36 ARG 8 37 LEU 9 38 THR 10 39 ARG 11 40 THR 12 41 LEU 13 42 ASN 14 43 CYS 15 44 SER 16 45 SER 17 46 ILE 18 47 VAL 19 48 LYS 20 49 GLU 21 50 ILE 22 51 ILE 23 52 GLY 24 53 LYS 25 54 LEU 26 55 PRO 27 56 GLU 28 57 PRO 29 58 GLU 30 59 LEU 31 60 LYS 32 61 THR 33 62 ASP 34 63 ASP 35 64 GLU 36 65 GLY 37 66 PRO 38 67 SER 39 68 LEU 40 69 ARG 41 70 ASN 42 71 LYS 43 72 SER 44 73 PHE 45 74 ARG 46 75 ARG 47 76 VAL 48 77 ASN 49 78 LEU 50 79 SER 51 80 LYS 52 81 PHE 53 82 VAL 54 83 GLU 55 84 SER 56 85 GLN 57 86 GLY 58 87 GLU 59 88 VAL 60 89 ASP 61 90 PRO 62 91 GLU 63 92 ASP 64 93 ARG 65 94 TYR 66 95 VAL 67 96 ILE 68 97 LYS 69 98 SER 70 99 ASN 71 100 LEU 72 101 GLN 73 102 LYS 74 103 LEU 75 104 ASN 76 105 ALA 77 106 CYS 78 107 LEU 79 108 PRO 80 109 THR 81 110 SER 82 111 ALA 83 112 ASN 84 113 ASP 85 114 SER 86 115 ALA 87 116 LEU 88 117 PRO 89 118 GLY 90 119 VAL 91 120 PHE 92 121 ILE 93 122 ARG 94 123 ASP 95 124 LEU 96 125 ASP 97 126 ASP 98 127 PHE 99 128 ARG 100 129 LYS 101 130 LYS 102 131 LEU 103 132 ARG 104 133 PHE 105 134 TYR 106 135 MET 107 136 VAL 108 137 HIS 109 138 LEU 110 139 ASN 111 140 ASP 112 141 LEU 113 142 GLU 114 143 THR 115 144 VAL 116 145 LEU 117 146 THR 118 147 SER 119 148 ARG 120 149 PRO 121 150 PRO 122 151 GLN 123 152 PRO 124 153 ALA 125 154 SER 126 155 GLY 127 156 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2L3O "Solution Structure Of Murine Interleukin 3" 100.00 127 100.00 100.00 1.23e-86 DBJ BAE32129 "unnamed protein product [Mus musculus]" 97.64 166 99.19 99.19 2.89e-83 EMBL CAA26514 "interleukin 3 [Mus musculus]" 97.64 166 99.19 99.19 2.89e-83 GB AAA39291 "interleukin-3 prepropeptide [Mus musculus]" 97.64 166 99.19 99.19 2.89e-83 GB AAA39293 "interleukin 3, partial [Mus musculus]" 97.64 166 99.19 99.19 2.89e-83 GB AAA39308 "interleukin 3, partial [Mus musculus]" 97.64 166 98.39 99.19 7.39e-83 GB AAA39507 "mast cell growth factor [Mus musculus]" 97.64 166 98.39 98.39 1.49e-82 GB AAB24323 "interleukin-3, IL-3 [mice, Peptide Recombinant, 140 aa]" 97.64 140 99.19 99.19 6.26e-83 PRF 1002253A "interleukin 3" 97.64 166 99.19 99.19 2.89e-83 REF NP_034686 "interleukin-3 precursor [Mus musculus]" 97.64 166 99.19 99.19 2.89e-83 SP P01586 "RecName: Full=Interleukin-3; Short=IL-3; AltName: Full=Hematopoietic growth factor; AltName: Full=Mast cell growth factor; Shor" 97.64 166 99.19 99.19 2.89e-83 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mIL3 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $mIL3 'recombinant technology' . Escherichia coli BL21(DE3) pETM60 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM potassium phosphate, and 0.02% (wv) sodium azide at pH 6.7' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mIL3 0.28 mM '[U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.2 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20 mM potassium phosphate, and 0.02% (wv) sodium azide at pH 6.7' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mIL3 0.28 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.2 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 6.7 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'The 1H chemical shifts were referenced indirectly to TMS at 0 ppm via the H2O signal, and the 13C and 15N chemical shifts were referenced indirectly using absolute frequency ratios' 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 water C 13 protons ppm 4.9445 na indirect . . . 0.251449453 water H 1 protons ppm 4.9445 internal direct . . . 1.0 water N 15 protons ppm 4.9445 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCA' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '2D 1H-13C HSQC' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name mIL3(33-156) _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 33 4 ASP H H 8.33 0.01 1 2 33 4 ASP HA H 4.48 0.01 1 3 33 4 ASP HB2 H 2.71 0.01 2 4 33 4 ASP HB3 H 2.65 0.01 2 5 33 4 ASP C C 177.2 0.2 1 6 33 4 ASP CA C 54.7 0.2 1 7 33 4 ASP CB C 41.3 0.2 1 8 33 4 ASP N N 121.9 0.2 1 9 34 5 THR H H 8.24 0.01 1 10 34 5 THR HA H 4.38 0.01 1 11 34 5 THR HB H 4.19 0.01 1 12 34 5 THR HG2 H 1.16 0.01 1 13 34 5 THR C C 175.5 0.2 1 14 34 5 THR CA C 62.8 0.2 1 15 34 5 THR CB C 69.5 0.2 1 16 34 5 THR CG2 C 21.8 0.2 1 17 34 5 THR N N 114.8 0.01 1 18 35 6 HIS H H 8.47 0.01 1 19 35 6 HIS HA H 4.63 0.01 1 20 35 6 HIS HB2 H 3.28 0.01 2 21 35 6 HIS HB3 H 3.19 0.01 2 22 35 6 HIS HD2 H 7.23 0.01 1 23 35 6 HIS C C 175.1 0.2 1 24 35 6 HIS CA C 56.5 0.2 1 25 35 6 HIS CB C 28.8 0.2 1 26 35 6 HIS N N 121.3 0.2 1 27 36 7 ARG H H 8.3 0.01 1 28 36 7 ARG HA H 4.24 0.01 1 29 36 7 ARG HB2 H 1.79 0.01 2 30 36 7 ARG HB3 H 1.79 0.01 2 31 36 7 ARG HD2 H 3.18 0.01 2 32 36 7 ARG HD3 H 3.18 0.01 2 33 36 7 ARG HE H 7.28 0.01 1 34 36 7 ARG HG2 H 1.62 0.01 2 35 36 7 ARG HG3 H 1.62 0.01 2 36 36 7 ARG C C 176.7 0.2 1 37 36 7 ARG CA C 56.9 0.2 1 38 36 7 ARG CB C 31 0.2 1 39 36 7 ARG CD C 43.7 0.2 1 40 36 7 ARG CG C 26.9 0.2 1 41 36 7 ARG N N 121.6 0.2 1 42 37 8 LEU H H 8.44 0.01 1 43 37 8 LEU HA H 4.37 0.01 1 44 37 8 LEU HB2 H 1.67 0.01 2 45 37 8 LEU HB3 H 1.56 0.01 2 46 37 8 LEU HD1 H 0.89 0.01 2 47 37 8 LEU HD2 H 0.89 0.01 2 48 37 8 LEU HG H 1.57 0.01 1 49 37 8 LEU C C 178 0.2 1 50 37 8 LEU CA C 55.7 0.2 1 51 37 8 LEU CB C 42.5 0.2 1 52 37 8 LEU CD1 C 24.6 0.2 2 53 37 8 LEU CD2 C 23.6 0.2 2 54 37 8 LEU CG C 26.9 0.2 1 55 37 8 LEU N N 123.1 0.2 1 56 38 9 THR H H 8.22 0.01 1 57 38 9 THR HA H 4.21 0.01 1 58 38 9 THR HB H 1.2 0.01 1 59 38 9 THR HG2 H 0.88 0.01 1 60 38 9 THR C C 174.8 0.2 1 61 38 9 THR CA C 62.4 0.2 1 62 38 9 THR CB C 70.3 0.2 1 63 38 9 THR CG2 C 21.9 0.2 1 64 38 9 THR N N 115.4 0.2 1 65 39 10 ARG H H 8.51 0.01 1 66 39 10 ARG HA H 4.41 0.01 1 67 39 10 ARG HB2 H 1.86 0.01 2 68 39 10 ARG HB3 H 1.77 0.01 2 69 39 10 ARG HD2 H 3.18 0.01 2 70 39 10 ARG HD3 H 3.18 0.01 2 71 39 10 ARG HG2 H 1.63 0.01 2 72 39 10 ARG HG3 H 1.63 0.01 2 73 39 10 ARG C C 176.6 0.2 1 74 39 10 ARG CA C 56.4 0.2 1 75 39 10 ARG CB C 31.3 0.2 1 76 39 10 ARG CD C 43.6 0.2 1 77 39 10 ARG CG C 27.4 0.2 1 78 39 10 ARG N N 123.6 0.2 1 79 39 10 ARG NE N 84.5 0.2 1 80 40 11 THR H H 8.32 0.01 1 81 40 11 THR HA H 4.44 0.01 1 82 40 11 THR HB H 4.1 0.01 1 83 40 11 THR HG2 H 1.17 0.01 1 84 40 11 THR C C 174.6 0.2 1 85 40 11 THR CA C 62.3 0.2 1 86 40 11 THR CB C 70.2 0.2 1 87 40 11 THR CG2 C 22 0.2 1 88 40 11 THR N N 116.2 0.2 1 89 41 12 LEU H H 8.63 0.01 1 90 41 12 LEU HA H 4.38 0.01 1 91 41 12 LEU HB2 H 1.54 0.01 2 92 41 12 LEU HB3 H 1.54 0.01 2 93 41 12 LEU HD1 H 0.87 0.01 2 94 41 12 LEU HD2 H 0.87 0.01 2 95 41 12 LEU C C 176.4 0.2 1 96 41 12 LEU CA C 55.1 0.2 1 97 41 12 LEU CB C 43.2 0.2 1 98 41 12 LEU CD1 C 25 0.2 2 99 41 12 LEU CD2 C 25.9 0.2 2 100 41 12 LEU CG C 27.2 0.2 1 101 41 12 LEU N N 126 0.2 1 102 42 13 ASN H H 8.79 0.01 1 103 42 13 ASN HA H 4.8 0.01 1 104 42 13 ASN HB2 H 3.02 0.01 2 105 42 13 ASN HB3 H 2.76 0.01 2 106 42 13 ASN CA C 52.9 0.2 1 107 42 13 ASN CB C 38.1 0.2 1 108 42 13 ASN N N 121.9 0.2 1 109 43 14 CYS H H 8.38 0.01 1 110 43 14 CYS HA H 3.93 0.01 1 111 43 14 CYS HB2 H 3.13 0.01 2 112 43 14 CYS HB3 H 2.74 0.01 2 113 43 14 CYS C C 179.6 0.2 1 114 43 14 CYS CA C 59.4 0.2 1 115 43 14 CYS CB C 43.2 0.2 1 116 43 14 CYS N N 122.2 0.2 1 117 44 15 SER H H 8.79 0.01 1 118 44 15 SER HA H 4.17 0.01 1 119 44 15 SER HB2 H 3.93 0.01 2 120 44 15 SER HB3 H 3.93 0.01 2 121 44 15 SER C C 177.6 0.2 1 122 44 15 SER CA C 62 0.2 1 123 44 15 SER CB C 61.9 0.2 1 124 44 15 SER N N 115 0.2 1 125 45 16 SER H H 7.9 0.01 1 126 45 16 SER HA H 4.18 0.01 1 127 45 16 SER HB2 H 3.92 0.01 2 128 45 16 SER HB3 H 3.92 0.01 2 129 45 16 SER C C 176.9 0.2 1 130 45 16 SER CA C 62 0.2 1 131 45 16 SER CB C 61.5 0.2 1 132 45 16 SER N N 118 0.2 1 133 46 17 ILE H H 7.69 0.01 1 134 46 17 ILE HA H 3.62 0.01 1 135 46 17 ILE HB H 1.96 0.01 1 136 46 17 ILE HD1 H 0.8 0.01 1 137 46 17 ILE HG12 H 1.74 0.01 2 138 46 17 ILE HG13 H 1.74 0.01 2 139 46 17 ILE HG2 H 0.85 0.01 1 140 46 17 ILE C C 177.9 0.2 1 141 46 17 ILE CA C 65.6 0.2 1 142 46 17 ILE CB C 38.6 0.2 1 143 46 17 ILE CD1 C 14.4 0.2 1 144 46 17 ILE CG1 C 28.6 0.2 1 145 46 17 ILE CG2 C 17.6 0.2 1 146 46 17 ILE N N 123.9 0.2 1 147 47 18 VAL H H 7.49 0.01 1 148 47 18 VAL HA H 3.48 0.01 1 149 47 18 VAL HB H 2.13 0.01 1 150 47 18 VAL HG1 H 1.06 0.01 2 151 47 18 VAL HG2 H 0.9 0.01 2 152 47 18 VAL C C 178.1 0.2 1 153 47 18 VAL CA C 67.4 0.2 1 154 47 18 VAL CB C 32.8 0.2 1 155 47 18 VAL CG1 C 24.2 0.2 2 156 47 18 VAL CG2 C 21.1 0.2 2 157 47 18 VAL N N 119.1 0.2 1 158 48 19 LYS H H 7.69 0.01 1 159 48 19 LYS HA H 3.81 0.01 1 160 48 19 LYS HB2 H 1.87 0.01 2 161 48 19 LYS HB3 H 1.87 0.01 2 162 48 19 LYS HD2 H 1.62 0.01 2 163 48 19 LYS HD3 H 1.62 0.01 2 164 48 19 LYS HE2 H 2.93 0.01 2 165 48 19 LYS HE3 H 2.93 0.01 2 166 48 19 LYS HG2 H 1.39 0.01 2 167 48 19 LYS HG3 H 1.39 0.01 2 168 48 19 LYS C C 179.9 0.2 1 169 48 19 LYS CA C 60.2 0.2 1 170 48 19 LYS CB C 32.6 0.2 1 171 48 19 LYS CD C 29.7 0.2 1 172 48 19 LYS CE C 43.7 0.2 1 173 48 19 LYS CG C 25.8 0.2 1 174 48 19 LYS N N 116.8 0.2 1 175 49 20 GLU H H 8.19 0.01 1 176 49 20 GLU HA H 3.99 0.01 1 177 49 20 GLU HB2 H 2.17 0.01 2 178 49 20 GLU HB3 H 2.05 0.01 2 179 49 20 GLU HG2 H 2.42 0.01 2 180 49 20 GLU HG3 H 2.11 0.01 2 181 49 20 GLU C C 179.9 0.2 1 182 49 20 GLU CA C 59.5 0.2 1 183 49 20 GLU CB C 29.8 0.2 1 184 49 20 GLU CG C 37 0.2 1 185 49 20 GLU N N 120.9 0.2 1 186 50 21 ILE H H 8 0.01 1 187 50 21 ILE HA H 3.61 0.01 1 188 50 21 ILE HB H 1.93 0.01 1 189 50 21 ILE HD1 H 0.78 0.01 1 190 50 21 ILE HG2 H 0.8 0.01 1 191 50 21 ILE C C 178 0.2 1 192 50 21 ILE CA C 66.6 0.2 1 193 50 21 ILE CB C 38.1 0.2 1 194 50 21 ILE CD1 C 14.7 0.2 1 195 50 21 ILE CG1 C 29.83 0.2 1 196 50 21 ILE CG2 C 17.4 0.2 1 197 50 21 ILE N N 119.4 0.2 1 198 51 22 ILE H H 8.16 0.01 1 199 51 22 ILE HA H 3.26 0.01 1 200 51 22 ILE HB H 1.68 0.01 1 201 51 22 ILE HD1 H 0.63 0.01 1 202 51 22 ILE HG12 H 0.59 0.01 2 203 51 22 ILE HG13 H 0.59 0.01 2 204 51 22 ILE HG2 H 0.77 0.01 1 205 51 22 ILE C C 179.2 0.2 1 206 51 22 ILE CA C 67.2 0.2 1 207 51 22 ILE CB C 38.5 0.2 1 208 51 22 ILE CD1 C 14.7 0.2 1 209 51 22 ILE CG1 C 31.3 0.2 1 210 51 22 ILE CG2 C 17.4 0.2 1 211 51 22 ILE N N 117.6 0.2 1 212 52 23 GLY H H 8 0.01 1 213 52 23 GLY HA2 H 3.91 0.01 2 214 52 23 GLY HA3 H 3.85 0.01 2 215 52 23 GLY C C 175.5 0.2 1 216 52 23 GLY CA C 46.7 0.2 1 217 52 23 GLY N N 103.5 0.2 1 218 53 24 LYS H H 7.44 0.01 1 219 53 24 LYS HA H 4.25 0.01 1 220 53 24 LYS HB2 H 1.78 0.01 2 221 53 24 LYS HB3 H 1.78 0.01 2 222 53 24 LYS C C 177.1 0.2 1 223 53 24 LYS CA C 56.4 0.2 1 224 53 24 LYS CB C 33.6 0.2 1 225 53 24 LYS CD C 28.6 0.2 1 226 53 24 LYS CE C 42.5 0.2 1 227 53 24 LYS CG C 25.6 0.2 1 228 53 24 LYS N N 119.1 0.2 1 229 54 25 LEU H H 7.35 0.01 1 230 54 25 LEU HA H 4.32 0.01 1 231 54 25 LEU HB2 H 1.7 0.01 2 232 54 25 LEU HB3 H 1.08 0.01 2 233 54 25 LEU HD2 H 0.48 0.01 2 234 54 25 LEU HG H 0.54 0.01 1 235 54 25 LEU CA C 51.9 0.2 1 236 54 25 LEU CB C 42.3 0.2 1 237 54 25 LEU CD2 C 22.39 0.2 2 238 54 25 LEU CG C 25.8 0.2 1 239 54 25 LEU N N 120.3 0.2 1 240 55 26 PRO HA H 4.32 0.01 1 241 55 26 PRO HB2 H 2.25 0.01 2 242 55 26 PRO HB3 H 2.25 0.01 2 243 55 26 PRO HD2 H 3.63 0.01 2 244 55 26 PRO HD3 H 3.63 0.01 2 245 55 26 PRO HG2 H 1.91 0.01 2 246 55 26 PRO HG3 H 1.91 0.01 2 247 55 26 PRO C C 176.8 0.2 1 248 55 26 PRO CA C 62.9 0.2 1 249 55 26 PRO CB C 32.1 0.2 1 250 55 26 PRO CD C 50.5 0.2 1 251 55 26 PRO CG C 27.7 0.2 1 252 56 27 GLU H H 8.74 0.01 1 253 56 27 GLU HA H 4.2 0.01 1 254 56 27 GLU HB2 H 1.87 0.01 2 255 56 27 GLU HB3 H 1.87 0.01 2 256 56 27 GLU HG2 H 2.23 0.01 2 257 56 27 GLU HG3 H 2.23 0.01 2 258 56 27 GLU CA C 55.2 0.2 1 259 56 27 GLU CB C 29.8 0.2 1 260 56 27 GLU CG C 36.3 0.2 1 261 56 27 GLU N N 121.3 0.2 1 262 57 28 PRO HA H 4.41 0.01 1 263 57 28 PRO C C 177 0.2 1 264 57 28 PRO CA C 63.1 0.2 1 265 57 28 PRO CB C 32.4 0.2 1 266 58 29 GLU H H 8.68 0.01 1 267 58 29 GLU HA H 4.14 0.01 1 268 58 29 GLU HB2 H 1.97 0.01 2 269 58 29 GLU HB3 H 1.97 0.01 2 270 58 29 GLU HG2 H 2.26 0.01 2 271 58 29 GLU HG3 H 2.26 0.01 2 272 58 29 GLU C C 177 0.2 1 273 58 29 GLU CA C 58 0.2 1 274 58 29 GLU CB C 30.2 0.2 1 275 58 29 GLU CG C 36.6 0.2 1 276 58 29 GLU N N 121.3 0.2 1 277 59 30 LEU H H 8.17 0.01 1 278 59 30 LEU HA H 4.41 0.01 1 279 59 30 LEU HB2 H 1.67 0.01 2 280 59 30 LEU HB3 H 1.67 0.01 2 281 59 30 LEU HD1 H 0.86 0.01 2 282 59 30 LEU HD2 H 0.86 0.01 2 283 59 30 LEU C C 177.4 0.2 1 284 59 30 LEU CA C 55.2 0.2 1 285 59 30 LEU CB C 42.9 0.2 1 286 59 30 LEU N N 120.2 0.2 1 287 60 31 LYS H H 8.5 0.01 1 288 60 31 LYS HA H 4.36 0.01 1 289 60 31 LYS HB2 H 1.8 0.01 2 290 60 31 LYS HB3 H 1.8 0.01 2 291 60 31 LYS HE2 H 2.99 0.01 2 292 60 31 LYS HE3 H 2.99 0.01 2 293 60 31 LYS HG2 H 1.41 0.01 2 294 60 31 LYS HG3 H 1.41 0.01 2 295 60 31 LYS C C 176.9 0.2 1 296 60 31 LYS CA C 57 0.2 1 297 60 31 LYS CB C 32.8 0.2 1 298 60 31 LYS CG C 25 0.2 1 299 60 31 LYS N N 121.8 0.2 1 300 61 32 THR H H 7.99 0.01 1 301 61 32 THR HA H 4.35 0.01 1 302 61 32 THR HB H 4.22 0.01 1 303 61 32 THR HG2 H 1.19 0.01 1 304 61 32 THR C C 174.6 0.2 1 305 61 32 THR CA C 61.6 0.2 1 306 61 32 THR CB C 70.1 0.2 1 307 61 32 THR CG2 C 21.8 0.2 1 308 61 32 THR N N 114 0.2 1 309 62 33 ASP H H 8.36 0.01 1 310 62 33 ASP HA H 4.56 0.01 1 311 62 33 ASP HB2 H 2.53 0.01 2 312 62 33 ASP HB3 H 2.53 0.01 2 313 62 33 ASP C C 177 0.2 1 314 62 33 ASP CA C 54.9 0.2 1 315 62 33 ASP CB C 41.6 0.2 1 316 62 33 ASP N N 123.4 0.2 1 317 63 34 ASP H H 8.57 0.01 1 318 63 34 ASP HA H 4.51 0.01 1 319 63 34 ASP HB2 H 2.61 0.01 2 320 63 34 ASP HB3 H 2.61 0.01 2 321 63 34 ASP C C 177.9 0.2 1 322 63 34 ASP CA C 53.9 0.2 1 323 63 34 ASP CB C 41.7 0.2 1 324 63 34 ASP N N 121.5 0.2 1 325 64 35 GLU H H 5.95 0.01 1 326 64 35 GLU HA H 4.51 0.01 1 327 64 35 GLU HB2 H 2.59 0.01 2 328 64 35 GLU HB3 H 2.59 0.01 2 329 64 35 GLU HG2 H 1.83 0.01 2 330 64 35 GLU HG3 H 1.83 0.01 2 331 64 35 GLU C C 178 0.2 1 332 64 35 GLU N N 108.2 0.2 1 333 65 36 GLY H H 8.1 0.01 1 334 65 36 GLY HA2 H 4.07 0.01 2 335 65 36 GLY HA3 H 3.84 0.01 2 336 65 36 GLY C C 173.6 0.2 1 337 65 36 GLY CA C 45.7 0.2 1 338 65 36 GLY N N 108.7 0.2 1 339 66 37 PRO C C 180.5 0.2 1 340 67 38 SER H H 8.53 0.01 1 341 67 38 SER HA H 4.04 0.01 1 342 67 38 SER HB2 H 3.52 0.01 2 343 67 38 SER HB3 H 3.52 0.01 2 344 67 38 SER C C 176.6 0.2 1 345 67 38 SER CA C 62.1 0.2 1 346 67 38 SER CB C 62.7 0.2 1 347 67 38 SER N N 114.7 0.2 1 348 68 39 LEU H H 7.74 0.01 1 349 68 39 LEU HA H 4.44 0.01 1 350 68 39 LEU HB2 H 1.77 0.01 2 351 68 39 LEU HB3 H 1.77 0.01 2 352 68 39 LEU HD1 H 1.04 0.01 2 353 68 39 LEU HD2 H 1.04 0.01 2 354 68 39 LEU HG H 2.04 0.01 1 355 68 39 LEU C C 178.2 0.2 1 356 68 39 LEU CA C 56.7 0.2 1 357 68 39 LEU CB C 43.2 0.2 1 358 68 39 LEU N N 118.4 0.2 1 359 69 40 ARG H H 7.64 0.01 1 360 69 40 ARG HA H 4.31 0.01 1 361 69 40 ARG HB2 H 1.96 0.01 2 362 69 40 ARG HB3 H 1.96 0.01 2 363 69 40 ARG HD2 H 2.94 0.01 2 364 69 40 ARG HD3 H 2.94 0.01 2 365 69 40 ARG HG2 H 1.75 0.01 2 366 69 40 ARG HG3 H 1.75 0.01 2 367 69 40 ARG C C 175.4 0.2 1 368 69 40 ARG CA C 55.5 0.2 1 369 69 40 ARG N N 115 0.2 1 370 70 41 ASN H H 7.23 0.01 1 371 70 41 ASN HA H 4.64 0.01 1 372 70 41 ASN HB2 H 2.96 0.01 2 373 70 41 ASN HB3 H 2.82 0.01 2 374 70 41 ASN HD21 H 7.12 0.01 2 375 70 41 ASN HD22 H 7.7 0.01 2 376 70 41 ASN C C 178.1 0.2 1 377 70 41 ASN CA C 53.9 0.2 1 378 70 41 ASN CB C 39.5 0.2 1 379 70 41 ASN N N 120.8 0.2 1 380 70 41 ASN ND2 N 114.3 0.2 1 381 71 42 LYS H H 9.56 0.01 1 382 71 42 LYS HA H 4.65 0.01 1 383 71 42 LYS HB2 H 2.35 0.01 2 384 71 42 LYS HB3 H 1.89 0.01 2 385 71 42 LYS HE2 H 3.78 0.01 2 386 71 42 LYS HE3 H 3.64 0.01 2 387 71 42 LYS HG2 H 2.04 0.01 2 388 71 42 LYS HG3 H 1.88 0.01 2 389 71 42 LYS C C 179.4 0.2 1 390 71 42 LYS CA C 60.5 0.2 1 391 71 42 LYS CB C 30.4 0.2 1 392 71 42 LYS N N 130.7 0.2 1 393 72 43 SER H H 8.78 0.01 1 394 72 43 SER HA H 4.41 0.01 1 395 72 43 SER HB2 H 3.86 0.01 2 396 72 43 SER HB3 H 3.86 0.01 2 397 72 43 SER C C 175.7 0.2 1 398 72 43 SER CA C 61.3 0.2 1 399 72 43 SER CB C 62.9 0.2 1 400 72 43 SER N N 115.5 0.2 1 401 73 44 PHE H H 7.8 0.01 1 402 73 44 PHE HA H 4.85 0.01 1 403 73 44 PHE HB2 H 3.58 0.01 2 404 73 44 PHE HB3 H 3.14 0.01 2 405 73 44 PHE HD1 H 7.19 0.01 3 406 73 44 PHE HD2 H 7.19 0.01 3 407 73 44 PHE C C 176 0.2 1 408 73 44 PHE CA C 56.7 0.2 1 409 73 44 PHE CB C 39.6 0.2 1 410 73 44 PHE N N 119.2 0.2 1 411 74 45 ARG H H 7.71 0.01 1 412 74 45 ARG HA H 4.64 0.01 1 413 74 45 ARG HB2 H 2.01 0.01 2 414 74 45 ARG HB3 H 2.01 0.01 2 415 74 45 ARG HD2 H 3.36 0.01 2 416 74 45 ARG HD3 H 2.86 0.01 2 417 74 45 ARG C C 180.4 0.2 1 418 74 45 ARG CA C 61.9 0.2 1 419 74 45 ARG N N 120 0.2 1 420 75 46 ARG H H 8.96 0.01 1 421 75 46 ARG HA H 4.05 0.01 1 422 75 46 ARG HB2 H 1.98 0.01 2 423 75 46 ARG HB3 H 1.98 0.01 2 424 75 46 ARG HD2 H 3.25 0.01 2 425 75 46 ARG HD3 H 3.25 0.01 2 426 75 46 ARG HE H 7.31 0.01 1 427 75 46 ARG HG2 H 1.72 0.01 2 428 75 46 ARG HG3 H 1.72 0.01 2 429 75 46 ARG C C 179 0.2 1 430 75 46 ARG CA C 61 0.2 1 431 75 46 ARG CB C 29.4 0.2 1 432 75 46 ARG CD C 43 0.2 1 433 75 46 ARG N N 121.3 0.2 1 434 75 46 ARG NE N 82.8 0.2 1 435 76 47 VAL H H 8.52 0.01 1 436 76 47 VAL HA H 4.01 0.01 1 437 76 47 VAL HB H 2.04 0.01 1 438 76 47 VAL HG1 H 0.96 0.01 2 439 76 47 VAL HG2 H 0.96 0.01 2 440 76 47 VAL C C 175.5 0.2 1 441 76 47 VAL CA C 65.5 0.2 1 442 76 47 VAL CB C 32.7 0.2 1 443 76 47 VAL CG1 C 21.7 0.2 2 444 76 47 VAL CG2 C 21.7 0.2 2 445 76 47 VAL N N 120.8 0.2 1 446 77 48 ASN H H 8.63 0.01 1 447 77 48 ASN HA H 4.33 0.01 1 448 77 48 ASN HB2 H 2.93 0.01 2 449 77 48 ASN HB3 H 2.93 0.01 2 450 77 48 ASN C C 177 0.2 1 451 77 48 ASN CA C 56.4 0.2 1 452 77 48 ASN N N 120.4 0.2 1 453 78 49 LEU H H 7.79 0.01 1 454 78 49 LEU HA H 4.09 0.01 1 455 78 49 LEU HB2 H 2.02 0.01 2 456 78 49 LEU HB3 H 2.02 0.01 2 457 78 49 LEU HD1 H 0.97 0.01 2 458 78 49 LEU HD2 H 0.97 0.01 2 459 78 49 LEU HG H 1.72 0.01 1 460 78 49 LEU C C 178.7 0.2 1 461 78 49 LEU CA C 59.6 0.2 1 462 78 49 LEU CB C 40.3 0.2 1 463 78 49 LEU N N 120.9 0.2 1 464 79 50 SER H H 8.06 0.01 1 465 79 50 SER HA H 4.14 0.01 1 466 79 50 SER HB2 H 3.99 0.01 2 467 79 50 SER HB3 H 3.99 0.01 2 468 79 50 SER C C 177.2 0.2 1 469 79 50 SER CA C 62.2 0.2 1 470 79 50 SER CB C 63 0.2 1 471 79 50 SER N N 112.7 0.2 1 472 80 51 LYS H H 7.69 0.01 1 473 80 51 LYS HA H 4.22 0.01 1 474 80 51 LYS HB2 H 1.69 0.01 2 475 80 51 LYS HB3 H 1.69 0.01 2 476 80 51 LYS HD2 H 1.48 0.01 2 477 80 51 LYS HD3 H 1.48 0.01 2 478 80 51 LYS HG2 H 1.02 0.01 2 479 80 51 LYS HG3 H 1.02 0.01 2 480 80 51 LYS C C 177.8 0.2 1 481 80 51 LYS CA C 57.6 0.2 1 482 80 51 LYS CB C 30.8 0.2 1 483 80 51 LYS CG C 23.8 0.2 1 484 80 51 LYS N N 122.2 0.2 1 485 81 52 PHE H H 8.34 0.01 1 486 81 52 PHE HA H 4.16 0.01 1 487 81 52 PHE HB2 H 3.68 0.01 2 488 81 52 PHE HB3 H 3.03 0.01 2 489 81 52 PHE HD1 H 6.7 0.01 3 490 81 52 PHE HD2 H 6.7 0.01 3 491 81 52 PHE HE1 H 7.28 0.01 3 492 81 52 PHE HE2 H 7.28 0.01 3 493 81 52 PHE HZ H 6.49 0.01 1 494 81 52 PHE C C 178.3 0.2 1 495 81 52 PHE CA C 63.8 0.2 1 496 81 52 PHE CB C 38.9 0.2 1 497 81 52 PHE N N 120.9 0.2 1 498 82 53 VAL H H 8.73 0.01 1 499 82 53 VAL HA H 3.76 0.01 1 500 82 53 VAL HB H 2.24 0.01 1 501 82 53 VAL HG1 H 0.97 0.01 2 502 82 53 VAL HG2 H 1.08 0.01 2 503 82 53 VAL C C 179.9 0.2 1 504 82 53 VAL CA C 67.1 0.2 1 505 82 53 VAL CB C 32.3 0.2 1 506 82 53 VAL CG1 C 21.1 0.2 2 507 82 53 VAL CG2 C 23.6 0.2 2 508 82 53 VAL N N 119.9 0.2 1 509 83 54 GLU H H 8.19 0.01 1 510 83 54 GLU HA H 4.08 0.01 1 511 83 54 GLU HB2 H 2.15 0.01 2 512 83 54 GLU HB3 H 2.15 0.01 2 513 83 54 GLU HG2 H 2.38 0.01 2 514 83 54 GLU HG3 H 2.22 0.01 2 515 83 54 GLU C C 176.2 0.2 1 516 83 54 GLU CA C 59.4 0.2 1 517 83 54 GLU CB C 30.5 0.2 1 518 83 54 GLU CG C 35.7 0.2 1 519 83 54 GLU N N 119.8 0.2 1 520 84 55 SER H H 8.78 0.01 1 521 84 55 SER HA H 4.23 0.01 1 522 84 55 SER HB2 H 4.02 0.01 2 523 84 55 SER HB3 H 4.02 0.01 2 524 84 55 SER C C 177.4 0.2 1 525 84 55 SER CA C 62.1 0.2 1 526 84 55 SER CB C 63.9 0.2 1 527 84 55 SER N N 114.7 0.2 1 528 85 56 GLN H H 8.4 0.01 1 529 85 56 GLN HA H 3.03 0.01 1 530 85 56 GLN HB2 H 2.2 0.01 2 531 85 56 GLN HB3 H 2.05 0.01 2 532 85 56 GLN HG2 H 2.44 0.01 2 533 85 56 GLN HG3 H 2.44 0.01 2 534 85 56 GLN C C 177.8 0.2 1 535 85 56 GLN CA C 60.2 0.2 1 536 85 56 GLN CB C 27 0.2 1 537 85 56 GLN CG C 34.5 0.2 1 538 85 56 GLN N N 121.9 0.2 1 539 86 57 GLY H H 7.52 0.01 1 540 86 57 GLY HA2 H 3.85 0.01 2 541 86 57 GLY HA3 H 3.75 0.01 2 542 86 57 GLY C C 174.6 0.2 1 543 86 57 GLY CA C 47.2 0.2 1 544 86 57 GLY N N 101.8 0.2 1 545 87 58 GLU H H 7.38 0.01 1 546 87 58 GLU HA H 4.28 0.01 1 547 87 58 GLU HB2 H 2.17 0.01 2 548 87 58 GLU HB3 H 2.09 0.01 2 549 87 58 GLU HG2 H 2.34 0.01 2 550 87 58 GLU HG3 H 2.18 0.01 2 551 87 58 GLU C C 178.5 0.2 1 552 87 58 GLU CA C 58 0.2 1 553 87 58 GLU CB C 30.8 0.2 1 554 87 58 GLU CG C 35.9 0.2 1 555 87 58 GLU N N 117.3 0.2 1 556 88 59 VAL H H 7.7 0.01 1 557 88 59 VAL HA H 4.32 0.01 1 558 88 59 VAL HB H 2.03 0.01 1 559 88 59 VAL HG1 H 0.35 0.01 2 560 88 59 VAL HG2 H 0.72 0.01 2 561 88 59 VAL C C 175.3 0.2 1 562 88 59 VAL CA C 61.5 0.2 1 563 88 59 VAL CB C 32.8 0.2 1 564 88 59 VAL CG1 C 18.3 0.2 2 565 88 59 VAL CG2 C 21.4 0.2 2 566 88 59 VAL N N 107.9 0.2 1 567 89 60 ASP H H 8.37 0.01 1 568 89 60 ASP HA H 5.09 0.01 1 569 89 60 ASP HB2 H 2.45 0.01 2 570 89 60 ASP HB3 H 2.24 0.01 2 571 89 60 ASP CA C 53.02 0.2 1 572 89 60 ASP CB C 42.7 0.2 1 573 89 60 ASP N N 120.9 0.2 1 574 90 61 PRO HA H 4.22 0.01 1 575 90 61 PRO HB2 H 2.38 0.01 2 576 90 61 PRO HB3 H 1.99 0.01 2 577 90 61 PRO HD2 H 3.66 0.01 2 578 90 61 PRO HD3 H 3.16 0.01 2 579 90 61 PRO HG2 H 2 0.01 2 580 90 61 PRO HG3 H 2 0.01 2 581 90 61 PRO C C 178.4 0.2 1 582 90 61 PRO CA C 65.3 0.2 1 583 90 61 PRO CB C 31.8 0.2 1 584 90 61 PRO CD C 50.4 0.2 1 585 90 61 PRO CG C 27.7 0.2 1 586 91 62 GLU H H 8.86 0.01 1 587 91 62 GLU HA H 4.25 0.01 1 588 91 62 GLU HB2 H 2.11 0.01 2 589 91 62 GLU HB3 H 1.89 0.01 2 590 91 62 GLU HG2 H 2.12 0.01 2 591 91 62 GLU HG3 H 2.12 0.01 2 592 91 62 GLU C C 176.7 0.2 1 593 91 62 GLU CA C 56.3 0.2 1 594 91 62 GLU CB C 29.1 0.2 1 595 91 62 GLU CG C 36.5 0.2 1 596 91 62 GLU N N 117 0.2 1 597 92 63 ASP H H 7.98 0.01 1 598 92 63 ASP HA H 4.49 0.01 1 599 92 63 ASP HB2 H 3.17 0.01 2 600 92 63 ASP HB3 H 2.18 0.01 2 601 92 63 ASP C C 178.7 0.2 1 602 92 63 ASP CA C 54.8 0.2 1 603 92 63 ASP CB C 39.5 0.2 1 604 92 63 ASP N N 121 0.2 1 605 93 64 ARG H H 10.21 0.01 1 606 93 64 ARG HA H 3.82 0.01 1 607 93 64 ARG HB2 H 1.57 0.01 2 608 93 64 ARG HB3 H 1.38 0.01 2 609 93 64 ARG HD2 H 2.89 0.01 2 610 93 64 ARG HD3 H 2.89 0.01 2 611 93 64 ARG HE H 7.12 0.01 1 612 93 64 ARG HG2 H 1.22 0.01 2 613 93 64 ARG HG3 H 0.66 0.01 2 614 93 64 ARG C C 178.4 0.2 1 615 93 64 ARG CA C 59.3 0.2 1 616 93 64 ARG CB C 30 0.2 1 617 93 64 ARG CD C 43.5 0.2 1 618 93 64 ARG CG C 25.6 0.2 1 619 93 64 ARG N N 123.3 0.2 1 620 93 64 ARG NE N 84.4 0.2 1 621 94 65 TYR H H 10.26 0.01 1 622 94 65 TYR HA H 4.54 0.01 1 623 94 65 TYR HB2 H 3.3 0.01 2 624 94 65 TYR HB3 H 2.87 0.01 2 625 94 65 TYR HD1 H 7.22 0.01 3 626 94 65 TYR HD2 H 7.22 0.01 3 627 94 65 TYR HE1 H 6.76 0.01 3 628 94 65 TYR HE2 H 6.76 0.01 3 629 94 65 TYR C C 175.5 0.2 1 630 94 65 TYR CA C 58 0.2 1 631 94 65 TYR CB C 37.7 0.2 1 632 94 65 TYR N N 120.9 0.2 1 633 95 66 VAL H H 8.07 0.01 1 634 95 66 VAL HA H 3.7 0.01 1 635 95 66 VAL HB H 2.47 0.01 1 636 95 66 VAL HG1 H 0.85 0.01 2 637 95 66 VAL HG2 H 1 0.01 2 638 95 66 VAL C C 176.1 0.2 1 639 95 66 VAL CA C 63.5 0.2 1 640 95 66 VAL CB C 28.4 0.2 1 641 95 66 VAL CG1 C 21.1 0.2 2 642 95 66 VAL CG2 C 24 0.2 2 643 95 66 VAL N N 120.6 0.2 1 644 96 67 ILE H H 9.35 0.01 1 645 96 67 ILE HA H 3.69 0.01 1 646 96 67 ILE HB H 2.05 0.01 1 647 96 67 ILE HD1 H 0.9 0.01 1 648 96 67 ILE HG12 H 1.4 0.01 2 649 96 67 ILE HG13 H 1.4 0.01 2 650 96 67 ILE C C 176.7 0.2 1 651 96 67 ILE CA C 61.8 0.2 1 652 96 67 ILE CB C 41 0.2 1 653 96 67 ILE CD1 C 15.5 0.2 1 654 96 67 ILE N N 114.4 0.2 1 655 97 68 LYS H H 9.05 0.01 1 656 97 68 LYS HA H 3.96 0.01 1 657 97 68 LYS HB2 H 1.73 0.01 2 658 97 68 LYS HB3 H 1.73 0.01 2 659 97 68 LYS C C 179.1 0.2 1 660 97 68 LYS CA C 61.8 0.2 1 661 97 68 LYS N N 127.6 0.2 1 662 98 69 SER H H 9.13 0.01 1 663 98 69 SER HA H 4.21 0.01 1 664 98 69 SER HB2 H 3.84 0.01 2 665 98 69 SER HB3 H 3.84 0.01 2 666 98 69 SER C C 177.9 0.2 1 667 98 69 SER CA C 61.9 0.2 1 668 98 69 SER CB C 62.4 0.2 1 669 98 69 SER N N 113.9 0.2 1 670 99 70 ASN H H 8.22 0.01 1 671 99 70 ASN HA H 4.51 0.01 1 672 99 70 ASN HB2 H 2.08 0.01 2 673 99 70 ASN HB3 H 2.08 0.01 2 674 99 70 ASN HD21 H 7.12 0.01 2 675 99 70 ASN HD22 H 7.37 0.01 2 676 99 70 ASN C C 177.7 0.2 1 677 99 70 ASN CA C 56.3 0.2 1 678 99 70 ASN CB C 39.2 0.2 1 679 99 70 ASN N N 121.2 0.2 1 680 99 70 ASN ND2 N 110.1 0.2 1 681 100 71 LEU H H 8.75 0.01 1 682 100 71 LEU HA H 3.9 0.01 1 683 100 71 LEU HB2 H 2.11 0.01 2 684 100 71 LEU HB3 H 1.43 0.01 2 685 100 71 LEU HD1 H 0.76 0.01 2 686 100 71 LEU HD2 H 0.76 0.01 2 687 100 71 LEU HG H 1.82 0.01 1 688 100 71 LEU C C 179.4 0.2 1 689 100 71 LEU CA C 58.7 0.2 1 690 100 71 LEU CB C 42 0.2 1 691 100 71 LEU CD1 C 24 0.2 2 692 100 71 LEU CD2 C 24 0.2 2 693 100 71 LEU CG C 26.3 0.2 1 694 100 71 LEU N N 120.1 0.2 1 695 101 72 GLN H H 7.69 0.01 1 696 101 72 GLN HA H 4.05 0.01 1 697 101 72 GLN HB2 H 2.29 0.01 2 698 101 72 GLN HB3 H 2.22 0.01 2 699 101 72 GLN HE21 H 6.97 0.01 2 700 101 72 GLN HE22 H 7.25 0.01 2 701 101 72 GLN HG2 H 2.6 0.01 2 702 101 72 GLN HG3 H 2.4 0.01 2 703 101 72 GLN C C 180.3 0.2 1 704 101 72 GLN CA C 58.9 0.2 1 705 101 72 GLN CB C 28.4 0.2 1 706 101 72 GLN CG C 34.2 0.2 1 707 101 72 GLN N N 116 0.2 1 708 101 72 GLN NE2 N 113.8 0.2 1 709 102 73 LYS H H 8.04 0.01 1 710 102 73 LYS HA H 4.06 0.01 1 711 102 73 LYS C C 178.8 0.2 1 712 102 73 LYS CA C 59.3 0.2 1 713 102 73 LYS CB C 33.3 0.2 1 714 102 73 LYS CD C 29.3 0.2 1 715 102 73 LYS CE C 42.1 0.2 1 716 102 73 LYS CG C 25.8 0.2 1 717 102 73 LYS N N 120.7 0.2 1 718 103 74 LEU H H 7.97 0.01 1 719 103 74 LEU HA H 3.9 0.01 1 720 103 74 LEU HB2 H 1.84 0.01 2 721 103 74 LEU HB3 H 1.73 0.01 2 722 103 74 LEU HD1 H 0.86 0.01 2 723 103 74 LEU HD2 H 0.86 0.01 2 724 103 74 LEU C C 178.4 0.2 1 725 103 74 LEU CA C 57.1 0.2 1 726 103 74 LEU CB C 42 0.2 1 727 103 74 LEU CD1 C 24.7 0.2 2 728 103 74 LEU CD2 C 24.7 0.2 2 729 103 74 LEU CG C 26.3 0.2 1 730 103 74 LEU N N 117.4 0.2 1 731 104 75 ASN H H 7.47 0.01 1 732 104 75 ASN HA H 4.19 0.01 1 733 104 75 ASN HB2 H 3.03 0.01 2 734 104 75 ASN HB3 H 2.88 0.01 2 735 104 75 ASN C C 177.4 0.2 1 736 104 75 ASN CA C 57.5 0.2 1 737 104 75 ASN CB C 39.2 0.2 1 738 104 75 ASN N N 117.3 0.2 1 739 105 76 ALA H H 7.49 0.01 1 740 105 76 ALA HA H 4.23 0.01 1 741 105 76 ALA HB H 1.46 0.01 1 742 105 76 ALA C C 178.6 0.2 1 743 105 76 ALA CA C 53.8 0.2 1 744 105 76 ALA CB C 19.1 0.2 1 745 105 76 ALA N N 117.5 0.2 1 746 106 77 CYS H H 7.89 0.01 1 747 106 77 CYS HA H 4.43 0.01 1 748 106 77 CYS HB2 H 3.51 0.01 2 749 106 77 CYS HB3 H 3.07 0.01 2 750 106 77 CYS C C 173.7 0.2 1 751 106 77 CYS CA C 57.9 0.2 1 752 106 77 CYS CB C 45.3 0.2 1 753 106 77 CYS N N 114.4 0.2 1 754 107 78 LEU H H 7.22 0.01 1 755 107 78 LEU HA H 4.19 0.01 1 756 107 78 LEU HB2 H 1.79 0.01 2 757 107 78 LEU HB3 H 1.79 0.01 2 758 107 78 LEU HD1 H 0.88 0.01 2 759 107 78 LEU HD2 H 0.88 0.01 2 760 107 78 LEU HG H 1.42 0.01 1 761 107 78 LEU CA C 51.9 0.2 1 762 107 78 LEU CB C 42.6 0.2 1 763 107 78 LEU CD1 C 24.2 0.2 2 764 107 78 LEU CD2 C 24.2 0.2 2 765 107 78 LEU CG C 27.4 0.2 1 766 107 78 LEU N N 120 0.2 1 767 108 79 PRO HA H 4.58 0.01 1 768 108 79 PRO HB2 H 2.37 0.01 2 769 108 79 PRO HB3 H 2.06 0.01 2 770 108 79 PRO HD2 H 3.61 0.01 2 771 108 79 PRO HD3 H 3.77 0.01 2 772 108 79 PRO HG2 H 2.01 0.01 2 773 108 79 PRO HG3 H 1.87 0.01 2 774 108 79 PRO C C 177.7 0.2 1 775 108 79 PRO CA C 62.9 0.2 1 776 108 79 PRO CB C 32.7 0.2 1 777 108 79 PRO CD C 50 0.2 1 778 108 79 PRO CG C 27.5 0.2 1 779 109 80 THR H H 8.59 0.01 1 780 109 80 THR HA H 4.44 0.01 1 781 109 80 THR HB H 4.15 0.01 1 782 109 80 THR HG2 H 1.2 0.01 1 783 109 80 THR C C 174.7 0.2 1 784 109 80 THR CA C 62.3 0.2 1 785 109 80 THR CB C 70.4 0.2 1 786 109 80 THR CG2 C 21.6 0.2 1 787 109 80 THR N N 115.7 0.2 1 788 110 81 SER H H 8.68 0.01 1 789 110 81 SER HA H 4.71 0.01 1 790 110 81 SER HB2 H 3.88 0.01 2 791 110 81 SER HB3 H 3.88 0.01 2 792 110 81 SER C C 175 0.2 1 793 110 81 SER CA C 57.8 0.2 1 794 110 81 SER CB C 65.7 0.2 1 795 110 81 SER N N 118.2 0.2 1 796 111 82 ALA H H 8.89 0.01 1 797 111 82 ALA HA H 4.22 0.01 1 798 111 82 ALA HB H 1.39 0.01 1 799 111 82 ALA C C 178.3 0.2 1 800 111 82 ALA CA C 54.2 0.2 1 801 111 82 ALA CB C 18.9 0.2 1 802 111 82 ALA N N 126.6 0.2 1 803 112 83 ASN H H 8.29 0.01 1 804 112 83 ASN HA H 4.7 0.01 1 805 112 83 ASN HB2 H 2.85 0.01 2 806 112 83 ASN HB3 H 2.85 0.01 2 807 112 83 ASN HD21 H 6.93 0.01 2 808 112 83 ASN HD22 H 7.62 0.01 2 809 112 83 ASN C C 175.5 0.2 1 810 112 83 ASN CA C 53.4 0.2 1 811 112 83 ASN CB C 38.8 0.2 1 812 112 83 ASN N N 114.7 0.2 1 813 113 84 ASP H H 7.77 0.01 1 814 113 84 ASP HA H 4.54 0.01 1 815 113 84 ASP HB2 H 2.69 0.01 2 816 113 84 ASP HB3 H 2.69 0.01 2 817 113 84 ASP C C 177.1 0.2 1 818 113 84 ASP CA C 56 0.2 1 819 113 84 ASP CB C 41 0.2 1 820 113 84 ASP N N 120.3 0.2 1 821 114 85 SER H H 8.08 0.01 1 822 114 85 SER HA H 4.24 0.01 1 823 114 85 SER HB2 H 3.48 0.01 2 824 114 85 SER HB3 H 3.48 0.01 2 825 114 85 SER C C 175 0.2 1 826 114 85 SER CA C 58.8 0.2 1 827 114 85 SER CB C 63.7 0.2 1 828 114 85 SER N N 114.4 0.2 1 829 115 86 ALA H H 8.33 0.01 1 830 115 86 ALA HA H 4.3 0.01 1 831 115 86 ALA HB H 1.33 0.01 1 832 115 86 ALA C C 177.2 0.2 1 833 115 86 ALA CA C 52.4 0.2 1 834 115 86 ALA CB C 19.6 0.2 1 835 115 86 ALA N N 126.3 0.2 1 836 116 87 LEU H H 7.83 0.01 1 837 116 87 LEU HA H 4.58 0.01 1 838 116 87 LEU HB2 H 1.522 0.01 2 839 116 87 LEU HB3 H 1.35 0.01 2 840 116 87 LEU HD1 H 0.8 0.01 2 841 116 87 LEU HD2 H 0.8 0.01 2 842 116 87 LEU HG H 0.74 0.01 1 843 116 87 LEU CA C 52.7 0.2 1 844 116 87 LEU CB C 42.3 0.2 1 845 116 87 LEU CD1 C 22.8 0.2 2 846 116 87 LEU CD2 C 23.4 0.2 2 847 116 87 LEU CG C 25.6 0.2 1 848 116 87 LEU N N 121.4 0.2 1 849 117 88 PRO HA H 4.02 0.01 1 850 117 88 PRO HB2 H 2.05 0.01 2 851 117 88 PRO HB3 H 2.05 0.01 2 852 117 88 PRO HD2 H 3.69 0.01 2 853 117 88 PRO HD3 H 3.69 0.01 2 854 117 88 PRO HG2 H 0.91 0.01 2 855 117 88 PRO HG3 H 0.91 0.01 2 856 117 88 PRO C C 177.4 0.2 1 857 117 88 PRO CA C 63 0.2 1 858 117 88 PRO CB C 32.4 0.2 1 859 117 88 PRO CD C 51.5 0.2 1 860 117 88 PRO CG C 26.9 0.2 1 861 118 89 GLY H H 8.53 0.01 1 862 118 89 GLY HA2 H 4.09 0.01 2 863 118 89 GLY HA3 H 3.41 0.01 2 864 118 89 GLY C C 173.5 0.2 1 865 118 89 GLY CA C 44.9 0.2 1 866 118 89 GLY N N 108.3 0.2 1 867 119 90 VAL H H 7.2 0.01 1 868 119 90 VAL HA H 4.08 0.01 1 869 119 90 VAL HB H 1.68 0.01 1 870 119 90 VAL HG1 H 0.33 0.01 2 871 119 90 VAL HG2 H 0.63 0.01 2 872 119 90 VAL C C 172.9 0.2 1 873 119 90 VAL CA C 61 0.2 1 874 119 90 VAL CB C 33.6 0.2 1 875 119 90 VAL CG1 C 19.5 0.2 2 876 119 90 VAL CG2 C 21.5 0.2 2 877 119 90 VAL N N 118.1 0.2 1 878 120 91 PHE H H 8.35 0.01 1 879 120 91 PHE HA H 4.46 0.01 1 880 120 91 PHE HB2 H 2.96 0.01 2 881 120 91 PHE HB3 H 2.84 0.01 2 882 120 91 PHE HD1 H 6.82 0.01 3 883 120 91 PHE HD2 H 6.82 0.01 3 884 120 91 PHE HE1 H 6.48 0.01 3 885 120 91 PHE HE2 H 6.48 0.01 3 886 120 91 PHE C C 174.2 0.2 1 887 120 91 PHE CA C 57.1 0.2 1 888 120 91 PHE CB C 40.8 0.2 1 889 120 91 PHE N N 125.9 0.2 1 890 121 92 ILE H H 8.17 0.01 1 891 121 92 ILE HA H 4.36 0.01 1 892 121 92 ILE HB H 1.73 0.01 1 893 121 92 ILE HD1 H 0.59 0.01 1 894 121 92 ILE HG12 H 1.34 0.01 2 895 121 92 ILE HG13 H 1.34 0.01 2 896 121 92 ILE HG2 H 0.97 0.01 1 897 121 92 ILE C C 176.4 0.2 1 898 121 92 ILE CA C 59.3 0.2 1 899 121 92 ILE CB C 39.3 0.2 1 900 121 92 ILE CD1 C 13.8 0.2 1 901 121 92 ILE CG1 C 27.8 0.2 1 902 121 92 ILE CG2 C 19.4 0.2 1 903 121 92 ILE N N 125.1 0.2 1 904 122 93 ARG H H 10.22 0.01 1 905 122 93 ARG HA H 4.02 0.01 1 906 122 93 ARG HB2 H 1.74 0.01 2 907 122 93 ARG HB3 H 1.74 0.01 2 908 122 93 ARG HD2 H 3.11 0.01 2 909 122 93 ARG HD3 H 3.11 0.01 2 910 122 93 ARG HE H 7.31 0.01 1 911 122 93 ARG HG2 H 1.7 0.01 2 912 122 93 ARG HG3 H 1.7 0.01 2 913 122 93 ARG C C 176.1 0.2 1 914 122 93 ARG CA C 59.2 0.2 1 915 122 93 ARG CB C 32.5 0.2 1 916 122 93 ARG CD C 43.4 0.2 1 917 122 93 ARG CG C 27.8 0.2 1 918 122 93 ARG N N 128.2 0.2 1 919 122 93 ARG NE N 84 0.2 1 920 123 94 ASP H H 7.44 0.01 1 921 123 94 ASP HA H 4.45 0.01 1 922 123 94 ASP HB2 H 3.19 0.01 2 923 123 94 ASP HB3 H 3.1 0.01 2 924 123 94 ASP C C 175.6 0.2 1 925 123 94 ASP CA C 53.4 0.2 1 926 123 94 ASP CB C 41 0.2 1 927 123 94 ASP N N 113.4 0.2 1 928 124 95 LEU H H 8.86 0.01 1 929 124 95 LEU HA H 4.04 0.01 1 930 124 95 LEU HB2 H 1.94 0.01 2 931 124 95 LEU HB3 H 1.76 0.01 2 932 124 95 LEU HD1 H 1.06 0.01 2 933 124 95 LEU HD2 H 1.11 0.01 2 934 124 95 LEU C C 177.8 0.2 1 935 124 95 LEU CA C 58.9 0.2 1 936 124 95 LEU CB C 41.5 0.2 1 937 124 95 LEU CD1 C 22.9 0.2 2 938 124 95 LEU CD2 C 22.8 0.2 2 939 124 95 LEU CG C 26.4 0.2 1 940 124 95 LEU N N 120.5 0.2 1 941 125 96 ASP H H 8.4 0.01 1 942 125 96 ASP HA H 4.42 0.01 1 943 125 96 ASP HB2 H 2.75 0.01 2 944 125 96 ASP HB3 H 2.63 0.01 2 945 125 96 ASP C C 178.3 0.2 1 946 125 96 ASP CA C 58.4 0.2 1 947 125 96 ASP CB C 41.4 0.2 1 948 125 96 ASP N N 119.8 0.2 1 949 126 97 ASP H H 8.59 0.01 1 950 126 97 ASP HA H 4.52 0.01 1 951 126 97 ASP HB2 H 3.08 0.01 2 952 126 97 ASP HB3 H 2.75 0.01 2 953 126 97 ASP C C 178.4 0.2 1 954 126 97 ASP CA C 57.5 0.2 1 955 126 97 ASP CB C 43.5 0.2 1 956 126 97 ASP N N 119.6 0.2 1 957 127 98 PHE H H 8.78 0.01 1 958 127 98 PHE HA H 4.03 0.01 1 959 127 98 PHE HB2 H 3.02 0.01 2 960 127 98 PHE HB3 H 2.77 0.01 2 961 127 98 PHE HD1 H 7.22 0.01 3 962 127 98 PHE HD2 H 7.22 0.01 3 963 127 98 PHE HE1 H 7.66 0.01 3 964 127 98 PHE HE2 H 7.66 0.01 3 965 127 98 PHE C C 176.1 0.2 1 966 127 98 PHE CA C 62.7 0.2 1 967 127 98 PHE CB C 38.3 0.2 1 968 127 98 PHE N N 118.2 0.2 1 969 128 99 ARG H H 8.78 0.01 1 970 128 99 ARG HA H 3.68 0.01 1 971 128 99 ARG HB2 H 2.07 0.01 2 972 128 99 ARG HB3 H 2.07 0.01 2 973 128 99 ARG HD2 H 3.07 0.01 2 974 128 99 ARG HD3 H 3.07 0.01 2 975 128 99 ARG HG2 H 1.9 0.01 2 976 128 99 ARG HG3 H 1.9 0.01 2 977 128 99 ARG C C 178.6 0.2 1 978 128 99 ARG CA C 60.5 0.2 1 979 128 99 ARG CB C 30.4 0.2 1 980 128 99 ARG CD C 43.6 0.2 1 981 128 99 ARG CG C 27.8 0.2 1 982 128 99 ARG N N 117.2 0.2 1 983 129 100 LYS H H 8.1 0.01 1 984 129 100 LYS HA H 4.05 0.01 1 985 129 100 LYS HB2 H 2 0.01 2 986 129 100 LYS HB3 H 2 0.01 2 987 129 100 LYS HD2 H 1.69 0.01 2 988 129 100 LYS HD3 H 1.69 0.01 2 989 129 100 LYS C C 181 0.2 1 990 129 100 LYS CA C 60.3 0.2 1 991 129 100 LYS CB C 33.4 0.2 1 992 129 100 LYS CD C 29.7 0.2 1 993 129 100 LYS CG C 26.21 0.2 1 994 129 100 LYS N N 119.8 0.2 1 995 130 101 LYS H H 8.86 0.01 1 996 130 101 LYS HA H 3.85 0.01 1 997 130 101 LYS C C 178.1 0.2 1 998 130 101 LYS CA C 61.2 0.2 1 999 130 101 LYS CB C 32.4 0.2 1 1000 130 101 LYS N N 120.4 0.2 1 1001 131 102 LEU H H 8.78 0.01 1 1002 131 102 LEU HA H 3.05 0.01 1 1003 131 102 LEU HB2 H 1.11 0.01 2 1004 131 102 LEU HB3 H 0.29 0.01 2 1005 131 102 LEU HD1 H -0.18 0.01 2 1006 131 102 LEU HD2 H 0.36 0.01 2 1007 131 102 LEU HG H 0.79 0.01 1 1008 131 102 LEU C C 178.9 0.2 1 1009 131 102 LEU CA C 57.6 0.2 1 1010 131 102 LEU CB C 40.2 0.2 1 1011 131 102 LEU CD1 C 22.4 0.2 2 1012 131 102 LEU CD2 C 28.3 0.2 2 1013 131 102 LEU CG C 25.6 0.2 1 1014 131 102 LEU N N 120.6 0.2 1 1015 132 103 ARG H H 7.92 0.01 1 1016 132 103 ARG HA H 4.06 0.01 1 1017 132 103 ARG HB2 H 1.79 0.01 2 1018 132 103 ARG HB3 H 1.79 0.01 2 1019 132 103 ARG HD2 H 3.05 0.01 2 1020 132 103 ARG HD3 H 3.05 0.01 2 1021 132 103 ARG HE H 7.5 0.01 1 1022 132 103 ARG HG2 H 1.79 0.01 2 1023 132 103 ARG HG3 H 1.79 0.01 2 1024 132 103 ARG C C 177.1 0.2 1 1025 132 103 ARG CA C 61.3 0.2 1 1026 132 103 ARG CB C 29.3 0.2 1 1027 132 103 ARG CD C 43.6 0.2 1 1028 132 103 ARG N N 118.6 0.2 1 1029 132 103 ARG NE N 84.4 0.2 1 1030 133 104 PHE H H 7.62 0.01 1 1031 133 104 PHE HA H 4.15 0.01 1 1032 133 104 PHE HB2 H 3.22 0.01 2 1033 133 104 PHE HB3 H 3.22 0.01 2 1034 133 104 PHE HD1 H 7.21 0.01 3 1035 133 104 PHE HD2 H 7.21 0.01 3 1036 133 104 PHE C C 175.5 0.2 1 1037 133 104 PHE CA C 62.3 0.2 1 1038 133 104 PHE CB C 39.3 0.2 1 1039 133 104 PHE N N 117.7 0.2 1 1040 134 105 TYR H H 8.76 0.01 1 1041 134 105 TYR HA H 3.31 0.01 1 1042 134 105 TYR HB2 H 1.77 0.01 2 1043 134 105 TYR HB3 H 1.77 0.01 2 1044 134 105 TYR HD1 H 7.22 0.01 3 1045 134 105 TYR HD2 H 7.22 0.01 3 1046 134 105 TYR HE1 H 6.73 0.01 3 1047 134 105 TYR HE2 H 6.73 0.01 3 1048 134 105 TYR C C 178.1 0.2 1 1049 134 105 TYR CA C 61.2 0.2 1 1050 134 105 TYR CB C 39.7 0.2 1 1051 134 105 TYR N N 119.9 0.2 1 1052 135 106 MET H H 8.58 0.01 1 1053 135 106 MET HA H 4.11 0.01 1 1054 135 106 MET HB2 H 1.7 0.01 2 1055 135 106 MET HB3 H 1.7 0.01 2 1056 135 106 MET HG2 H 2.72 0.01 2 1057 135 106 MET HG3 H 2.45 0.01 2 1058 135 106 MET C C 179.8 0.2 1 1059 135 106 MET CA C 56.5 0.2 1 1060 135 106 MET CB C 31.6 0.2 1 1061 135 106 MET N N 117.4 0.2 1 1062 136 107 VAL H H 8.51 0.01 1 1063 136 107 VAL HA H 3.52 0.01 1 1064 136 107 VAL HB H 1.94 0.01 1 1065 136 107 VAL HG1 H 0.5 0.01 2 1066 136 107 VAL HG2 H 0.86 0.01 2 1067 136 107 VAL C C 177.6 0.2 1 1068 136 107 VAL CA C 65.4 0.2 1 1069 136 107 VAL CB C 31 0.2 1 1070 136 107 VAL CG1 C 20.8 0.2 2 1071 136 107 VAL CG2 C 21.7 0.2 2 1072 136 107 VAL N N 117.4 0.2 1 1073 137 108 HIS H H 7 0.01 1 1074 137 108 HIS HA H 4.37 0.01 1 1075 137 108 HIS HB2 H 3.38 0.01 2 1076 137 108 HIS HB3 H 2.76 0.01 2 1077 137 108 HIS HD2 H 6.38 0.01 1 1078 137 108 HIS C C 174.3 0.2 1 1079 137 108 HIS CA C 56.8 0.2 1 1080 137 108 HIS CB C 28.1 0.2 1 1081 137 108 HIS N N 113.9 0.2 1 1082 138 109 LEU H H 7.27 0.01 1 1083 138 109 LEU HA H 4.31 0.01 1 1084 138 109 LEU HB2 H 1.74 0.01 2 1085 138 109 LEU HB3 H 1.51 0.01 2 1086 138 109 LEU HD1 H 0.59 0.01 2 1087 138 109 LEU HD2 H 0.87 0.01 2 1088 138 109 LEU HG H 1.73 0.01 1 1089 138 109 LEU C C 176.8 0.2 1 1090 138 109 LEU CA C 55 0.2 1 1091 138 109 LEU CB C 41 0.2 1 1092 138 109 LEU CD1 C 23.9 0.2 2 1093 138 109 LEU N N 123.2 0.2 1 1094 139 110 ASN H H 7.63 0.01 1 1095 139 110 ASN HA H 4.58 0.01 1 1096 139 110 ASN HB2 H 2.75 0.01 2 1097 139 110 ASN HB3 H 2.75 0.01 2 1098 139 110 ASN HD21 H 6.77 0.01 2 1099 139 110 ASN HD22 H 7.59 0.01 2 1100 139 110 ASN C C 175.9 0.2 1 1101 139 110 ASN CA C 54 0.2 1 1102 139 110 ASN CB C 38.9 0.2 1 1103 139 110 ASN N N 115.4 0.2 1 1104 139 110 ASN ND2 N 112.7 0.2 1 1105 140 111 ASP H H 8.23 0.01 1 1106 140 111 ASP HA H 4.58 0.01 1 1107 140 111 ASP HB2 H 2.8 0.01 2 1108 140 111 ASP HB3 H 2.53 0.01 2 1109 140 111 ASP C C 177.2 0.2 1 1110 140 111 ASP CA C 55.8 0.2 1 1111 140 111 ASP N N 119.2 0.2 1 1112 141 112 LEU H H 8.2 0.01 1 1113 141 112 LEU HA H 4.24 0.01 1 1114 141 112 LEU HB2 H 1.62 0.01 2 1115 141 112 LEU HB3 H 1.62 0.01 2 1116 141 112 LEU C C 176.6 0.2 1 1117 141 112 LEU CA C 54.6 0.2 1 1118 141 112 LEU CB C 41.6 0.2 1 1119 141 112 LEU N N 120.2 0.2 1 1120 142 113 GLU H H 8.47 0.01 1 1121 142 113 GLU HA H 4.37 0.01 1 1122 142 113 GLU HB2 H 2.17 0.01 2 1123 142 113 GLU HB3 H 1.91 0.01 2 1124 142 113 GLU C C 176.8 0.2 1 1125 142 113 GLU CA C 56.7 0.2 1 1126 142 113 GLU CB C 31 0.2 1 1127 142 113 GLU N N 121.7 0.2 1 1128 143 114 THR H H 8.25 0.01 1 1129 143 114 THR HA H 4.4 0.01 1 1130 143 114 THR HB H 4.15 0.01 1 1131 143 114 THR HG2 H 1.18 0.01 1 1132 143 114 THR C C 174.6 0.2 1 1133 143 114 THR CA C 63.1 0.2 1 1134 143 114 THR CB C 70.1 0.2 1 1135 143 114 THR CG2 C 22.1 0.2 1 1136 143 114 THR N N 116.5 0.2 1 1137 144 115 VAL H H 8.36 0.01 1 1138 144 115 VAL HA H 4.3 0.01 1 1139 144 115 VAL HB H 2.06 0.01 1 1140 144 115 VAL HG1 H 0.91 0.01 2 1141 144 115 VAL HG2 H 1.17 0.01 2 1142 144 115 VAL C C 175.9 0.2 1 1143 144 115 VAL CA C 62.3 0.2 1 1144 144 115 VAL CB C 33.7 0.2 1 1145 144 115 VAL CG1 C 21.1 0.2 2 1146 144 115 VAL CG2 C 22.1 0.2 2 1147 144 115 VAL N N 123.6 0.2 1 1148 145 116 LEU H H 8.58 0.01 1 1149 145 116 LEU HA H 4.57 0.01 1 1150 145 116 LEU HB2 H 1.64 0.01 2 1151 145 116 LEU HB3 H 1.64 0.01 2 1152 145 116 LEU HD1 H 0.93 0.01 2 1153 145 116 LEU HD2 H 0.93 0.01 2 1154 145 116 LEU HG H 1.12 0.01 1 1155 145 116 LEU C C 177.9 0.2 1 1156 145 116 LEU CA C 55.2 0.2 1 1157 145 116 LEU CB C 42.8 0.2 1 1158 145 116 LEU CD1 C 23.8 0.2 2 1159 145 116 LEU CD2 C 25.2 0.2 2 1160 145 116 LEU CG C 27.2 0.2 1 1161 145 116 LEU N N 126 0.2 1 1162 146 117 THR H H 8.37 0.01 1 1163 146 117 THR HA H 4.39 0.01 1 1164 146 117 THR HB H 4.21 0.01 1 1165 146 117 THR HG2 H 1.16 0.01 1 1166 146 117 THR C C 174.7 0.2 1 1167 146 117 THR CA C 61.9 0.2 1 1168 146 117 THR CB C 70.1 0.2 1 1169 146 117 THR CG2 C 21.7 0.2 1 1170 146 117 THR N N 115.5 0.2 1 1171 147 118 SER H H 8.37 0.01 1 1172 147 118 SER HA H 4.49 0.01 1 1173 147 118 SER HB2 H 3.84 0.01 2 1174 147 118 SER HB3 H 3.84 0.01 2 1175 147 118 SER C C 174.3 0.2 1 1176 147 118 SER CA C 58.5 0.2 1 1177 147 118 SER CB C 64.2 0.2 1 1178 147 118 SER N N 118.2 0.2 1 1179 148 119 ARG H H 8.43 0.01 1 1180 148 119 ARG HA H 4.63 0.01 1 1181 148 119 ARG HB2 H 1.79 0.01 2 1182 148 119 ARG HB3 H 1.79 0.01 2 1183 148 119 ARG HD2 H 3.16 0.01 2 1184 148 119 ARG HD3 H 3.16 0.01 2 1185 148 119 ARG HE H 7.23 0.01 1 1186 148 119 ARG HG2 H 1.67 0.01 2 1187 148 119 ARG HG3 H 1.67 0.01 2 1188 148 119 ARG CA C 54.3 0.2 1 1189 148 119 ARG CB C 30.5 0.2 1 1190 148 119 ARG CD C 43.8 0.2 1 1191 148 119 ARG CG C 26.9 0.2 1 1192 148 119 ARG N N 124.1 0.2 1 1193 148 119 ARG NE N 84.5 0.2 1 1194 150 121 PRO HA H 4.66 0.01 1 1195 150 121 PRO HB2 H 2.35 0.01 2 1196 150 121 PRO HB3 H 2.03 0.01 2 1197 150 121 PRO HD2 H 3.84 0.01 2 1198 150 121 PRO HD3 H 3.61 0.01 2 1199 150 121 PRO HG2 H 1.87 0.01 2 1200 150 121 PRO HG3 H 1.69 0.01 2 1201 150 121 PRO C C 177 0.2 1 1202 150 121 PRO CA C 64 0.2 1 1203 150 121 PRO CB C 31.2 0.2 1 1204 150 121 PRO CD C 50.9 0.2 1 1205 151 122 GLN H H 8.54 0.01 1 1206 151 122 GLN HA H 4.55 0.01 1 1207 151 122 GLN HB2 H 2.07 0.01 2 1208 151 122 GLN HB3 H 1.89 0.01 2 1209 151 122 GLN HE21 H 6.98 0.01 2 1210 151 122 GLN HE22 H 7.65 0.01 2 1211 151 122 GLN HG2 H 2.37 0.01 2 1212 151 122 GLN HG3 H 2.37 0.01 2 1213 151 122 GLN CA C 53.8 0.2 1 1214 151 122 GLN CB C 29.3 0.2 1 1215 151 122 GLN CG C 33.6 0.2 1 1216 151 122 GLN N N 121.8 0.2 1 1217 151 122 GLN NE2 N 113.4 0.2 1 1218 152 123 PRO HB2 H 2.28 0.01 2 1219 152 123 PRO HB3 H 1.91 0.01 2 1220 152 123 PRO C C 177.1 0.2 1 1221 152 123 PRO CA C 63.2 0.2 1 1222 152 123 PRO CB C 32.1 0.2 1 1223 153 124 ALA H H 8.64 0.01 1 1224 153 124 ALA HA H 4.31 0.01 1 1225 153 124 ALA HB H 1.4 0.01 1 1226 153 124 ALA C C 178.3 0.2 1 1227 153 124 ALA CA C 52.9 0.2 1 1228 153 124 ALA CB C 19.3 0.2 1 1229 153 124 ALA N N 125.2 0.2 1 1230 154 125 SER H H 8.46 0.01 1 1231 154 125 SER HA H 4.39 0.01 1 1232 154 125 SER HB2 H 3.87 0.01 2 1233 154 125 SER HB3 H 3.87 0.01 2 1234 154 125 SER C C 175.5 0.2 1 1235 154 125 SER CA C 58.8 0.2 1 1236 154 125 SER CB C 63.9 0.2 1 1237 154 125 SER N N 115.5 0.2 1 1238 155 126 GLY H H 8.55 0.01 1 1239 155 126 GLY HA2 H 4.04 0.01 2 1240 155 126 GLY HA3 H 3.95 0.01 2 1241 155 126 GLY C C 173.7 0.2 1 1242 155 126 GLY CA C 45.7 0.2 1 1243 155 126 GLY N N 111.9 0.2 1 1244 156 127 SER H H 8 0.01 1 1245 156 127 SER HA H 4.27 0.01 1 1246 156 127 SER HB2 H 3.82 0.01 2 1247 156 127 SER HB3 H 3.82 0.01 2 1248 156 127 SER CA C 60.3 0.2 1 1249 156 127 SER CB C 65.2 0.2 1 1250 156 127 SER N N 121.5 0.2 1 stop_ save_