data_16379 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Interleukin 1a ; _BMRB_accession_number 16379 _BMRB_flat_file_name bmr16379.str _Entry_type original _Submission_date 2009-06-30 _Accession_date 2009-06-30 _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 Mohan Sepuru K. . 2 Chang Hsuan-Kuo . . 3 Chin Yu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 649 "13C chemical shifts" 493 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-20 update BMRB 'complete entry citation' 2010-03-10 original author 'original release' stop_ _Original_release_date 2009-06-30 save_ ############################# # Citation for this entry # ############################# save_reference_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N backbone and side chain resonance assignments of human interleukin 1alpha. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20108067 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chang Hsuan-Kuo . . 2 Mohan Sepuru K. . 3 Chin Yu . . 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 59 _Page_last 60 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human interleukin 1alpha' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human interleukin 1alpha' _Molecular_mass 17227.705 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; NVKYNFMRIIKYEFILNDAL NQSIIRANDQYLTAAALHNL DEAVKFDMGAYKSSKDDAKI TVILRISKTQLYVTAQDEDQ PVLLKEMPEIPKTITGSETN LLFFWETHGTKNYFTSVAHP NLFIATKQDYWVCLAGGPPS ITDFQILENQA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 9 ASN 2 10 VAL 3 11 LYS 4 12 TYR 5 13 ASN 6 14 PHE 7 15 MET 8 16 ARG 9 17 ILE 10 18 ILE 11 19 LYS 12 20 TYR 13 21 GLU 14 22 PHE 15 23 ILE 16 24 LEU 17 25 ASN 18 26 ASP 19 27 ALA 20 28 LEU 21 29 ASN 22 30 GLN 23 31 SER 24 32 ILE 25 33 ILE 26 34 ARG 27 35 ALA 28 36 ASN 29 37 ASP 30 38 GLN 31 39 TYR 32 40 LEU 33 41 THR 34 42 ALA 35 43 ALA 36 44 ALA 37 45 LEU 38 46 HIS 39 47 ASN 40 48 LEU 41 49 ASP 42 50 GLU 43 51 ALA 44 52 VAL 45 53 LYS 46 54 PHE 47 55 ASP 48 56 MET 49 57 GLY 50 58 ALA 51 59 TYR 52 60 LYS 53 61 SER 54 62 SER 55 63 LYS 56 64 ASP 57 65 ASP 58 66 ALA 59 67 LYS 60 68 ILE 61 69 THR 62 70 VAL 63 71 ILE 64 72 LEU 65 73 ARG 66 74 ILE 67 75 SER 68 76 LYS 69 77 THR 70 78 GLN 71 79 LEU 72 80 TYR 73 81 VAL 74 82 THR 75 83 ALA 76 84 GLN 77 85 ASP 78 86 GLU 79 87 ASP 80 88 GLN 81 89 PRO 82 90 VAL 83 91 LEU 84 92 LEU 85 93 LYS 86 94 GLU 87 95 MET 88 96 PRO 89 97 GLU 90 98 ILE 91 99 PRO 92 100 LYS 93 101 THR 94 102 ILE 95 103 THR 96 104 GLY 97 105 SER 98 106 GLU 99 107 THR 100 108 ASN 101 109 LEU 102 110 LEU 103 111 PHE 104 112 PHE 105 113 TRP 106 114 GLU 107 115 THR 108 116 HIS 109 117 GLY 110 118 THR 111 119 LYS 112 120 ASN 113 121 TYR 114 122 PHE 115 123 THR 116 124 SER 117 125 VAL 118 126 ALA 119 127 HIS 120 128 PRO 121 129 ASN 122 130 LEU 123 131 PHE 124 132 ILE 125 133 ALA 126 134 THR 127 135 LYS 128 136 GLN 129 137 ASP 130 138 TYR 131 139 TRP 132 140 VAL 133 141 CYS 134 142 LEU 135 143 ALA 136 144 GLY 137 145 GLY 138 146 PRO 139 147 PRO 140 148 SER 141 149 ILE 142 150 THR 143 151 ASP 144 152 PHE 145 153 GLN 146 154 ILE 147 155 LEU 148 156 GLU 149 157 ASN 150 158 GLN 151 159 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity Human 9606 Eukaryota Metazoa Homo sapiens BL21DE3 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 $entity 'recombinant technology' . Escherichia coli BL21DE3 pET(20b)+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $entity 1.4 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Aria _Saveframe_category software _Name ARIA _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Dr. Michael Nilges, Institut Pasteur' ; Unite de Bioinformatique Structurale, Institut Pasteur, 25-28 rue du Dr Roux, 75015 Paris, France ; nilges@pasteur.fr stop_ loop_ _Task 'Automated NOE assignment' 'NMR structure calculation' stop_ _Details 'ARIA 1.1 is using CNS 1.1' _Citation_label $reference_1 save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'For chemical shift assignment and peak picking in 3D NOESY' save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'dihedral angles' stop_ _Details 'For dihedral angle restrains' save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version VNMRJ_2.2C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task processing stop_ _Details 'For spectra processing' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 700 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 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' 0.1 . M pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_IL_1a_Chemical_shifts _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 TSP C 13 'methyl carbon' ppm 0 internal direct . . . 1.00 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.00 TSP N 15 nitrogen ppm 0 internal direct . . . 1.00 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_set _Saveframe_category assigned_chemical_shifts _Details 'Derived from the file: /home/hanmin/krishna/ILA/run43/data/15N/15N.ppm' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $IL_1a_Chemical_shifts _Mol_system_component_name entity _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 9 1 ASN HA H 4.586 0.003 1 2 9 1 ASN HB2 H 2.665 0.003 2 3 9 1 ASN HB3 H 2.665 0.003 2 4 9 1 ASN C C 174.686 0.003 1 5 9 1 ASN CA C 53.49 0.003 1 6 9 1 ASN CB C 39.1 0.003 1 7 10 2 VAL H H 7.68 0.003 1 8 10 2 VAL HA H 3.603 0.003 1 9 10 2 VAL HB H 1.724 0.003 1 10 10 2 VAL HG1 H 0.5065 0.003 2 11 10 2 VAL HG2 H 0.7364 0.003 2 12 10 2 VAL C C 174.644 0.003 1 13 10 2 VAL CA C 63.44 0.003 1 14 10 2 VAL CB C 33.14 0.003 1 15 10 2 VAL CG1 C 21.8 0.003 2 16 10 2 VAL CG2 C 22.6 0.003 2 17 10 2 VAL N N 119.8 0.003 1 18 11 3 LYS H H 8.184 0.003 1 19 11 3 LYS HA H 4.631 0.003 1 20 11 3 LYS HB2 H 1.486 0.003 2 21 11 3 LYS HB3 H 1.486 0.003 2 22 11 3 LYS HE2 H 2.81 0.003 2 23 11 3 LYS HE3 H 2.81 0.003 2 24 11 3 LYS HG2 H 1.19 0.003 2 25 11 3 LYS HG3 H 1.19 0.003 2 26 11 3 LYS C C 173.812 0.003 1 27 11 3 LYS CA C 55.55 0.003 1 28 11 3 LYS CB C 35.2 0.003 1 29 11 3 LYS CD C 29.73 0.003 1 30 11 3 LYS CG C 25.17 0.003 1 31 11 3 LYS N N 125.5 0.003 1 32 12 4 TYR H H 8.746 0.003 1 33 12 4 TYR HA H 4.903 0.003 1 34 12 4 TYR HB2 H 2.535 0.003 2 35 12 4 TYR HB3 H 2.535 0.003 2 36 12 4 TYR C C 175.036 0.003 1 37 12 4 TYR CA C 57.46 0.003 1 38 12 4 TYR CB C 41.07 0.003 1 39 12 4 TYR N N 119.6 0.003 1 40 13 5 ASN H H 8.963 0.003 1 41 13 5 ASN HA H 5.655 0.003 1 42 13 5 ASN HB2 H 2.553 0.003 2 43 13 5 ASN HB3 H 2.581 0.003 2 44 13 5 ASN C C 174.696 0.003 1 45 13 5 ASN CA C 52.77 0.003 1 46 13 5 ASN CB C 42.38 0.003 1 47 13 5 ASN N N 120.0 0.003 1 48 14 6 PHE H H 8.815 0.003 1 49 14 6 PHE HA H 3.081 0.003 1 50 14 6 PHE HB2 H 2.506 0.003 2 51 14 6 PHE HB3 H 2.506 0.003 2 52 14 6 PHE C C 174.799 0.003 1 53 14 6 PHE CA C 59.37 0.003 1 54 14 6 PHE CB C 39.88 0.003 1 55 14 6 PHE N N 124.4 0.003 1 56 15 7 MET H H 8.252 0.003 1 57 15 7 MET HA H 4.129 0.003 1 58 15 7 MET HB2 H 1.458 0.003 2 59 15 7 MET HB3 H 1.697 0.003 2 60 15 7 MET HG2 H 2.27 0.003 2 61 15 7 MET HG3 H 2.27 0.003 2 62 15 7 MET C C 173.555 0.003 1 63 15 7 MET CA C 56.8 0.003 1 64 15 7 MET CB C 35.14 0.003 1 65 15 7 MET CG C 31.79 0.003 1 66 15 7 MET N N 124.8 0.003 1 67 16 8 ARG H H 6.187 0.003 1 68 16 8 ARG HA H 3.99 0.003 1 69 16 8 ARG HB2 H 1.865 0.003 2 70 16 8 ARG HB3 H 1.476 0.003 2 71 16 8 ARG HD2 H 1.093 0.003 1 72 16 8 ARG HD3 H 1.093 0.003 2 73 16 8 ARG HG2 H 0.887 0.003 1 74 16 8 ARG HG3 H 0.887 0.003 2 75 16 8 ARG C C 174.801 0.003 1 76 16 8 ARG CA C 55.9 0.003 1 77 16 8 ARG CB C 31.27 0.003 1 78 16 8 ARG CD C 43.49 0.003 1 79 16 8 ARG CG C 25.66 0.003 1 80 16 8 ARG N N 108.4 0.003 1 81 17 9 ILE H H 8.793 0.003 1 82 17 9 ILE HA H 4.434 0.003 1 83 17 9 ILE HB H 1.093 0.003 1 84 17 9 ILE HD1 H -0.093 0.003 1 85 17 9 ILE HG12 H 0.584 0.003 1 86 17 9 ILE HG13 H 0.584 0.003 2 87 17 9 ILE CA C 60.58 0.003 1 88 17 9 ILE CB C 35.62 0.003 1 89 17 9 ILE CG1 C 28.57 0.003 1 90 17 9 ILE CG2 C 18.24 0.003 1 91 17 9 ILE N N 120.0 0.003 1 92 18 10 ILE H H 8.5428 0.003 1 93 18 10 ILE HA H 4.425 0.003 1 94 18 10 ILE HB H 1.907 0.003 1 95 18 10 ILE HD1 H 0.825 0.003 1 96 18 10 ILE C C 176.054 0.003 1 97 18 10 ILE CA C 62.39 0.003 1 98 18 10 ILE CB C 40.38 0.003 1 99 18 10 ILE N N 118.9 0.003 1 100 19 11 LYS H H 7.294 0.003 1 101 19 11 LYS HA H 4.423 0.003 1 102 19 11 LYS HB2 H 1.417 0.003 2 103 19 11 LYS HB3 H 1.417 0.003 2 104 19 11 LYS HE2 H 2.791 0.003 2 105 19 11 LYS HE3 H 2.791 0.003 2 106 19 11 LYS HG2 H 1.191 0.003 2 107 19 11 LYS HG3 H 1.191 0.003 2 108 19 11 LYS C C 173.637 0.003 1 109 19 11 LYS CA C 57.67 0.003 1 110 19 11 LYS CB C 37.58 0.003 1 111 19 11 LYS CD C 28.79 0.003 1 112 19 11 LYS CG C 25.33 0.003 1 113 19 11 LYS N N 120.2 0.003 1 114 20 12 TYR H H 8.997 0.003 1 115 20 12 TYR HA H 5.051 0.003 1 116 20 12 TYR HB2 H 2.742 0.003 2 117 20 12 TYR HB3 H 2.742 0.003 2 118 20 12 TYR C C 174.763 0.003 1 119 20 12 TYR CA C 58.1 0.003 1 120 20 12 TYR CB C 42.28 0.003 1 121 20 12 TYR N N 121.6 0.003 1 122 21 13 GLU H H 8.55 0.003 1 123 21 13 GLU HA H 3.634 0.003 1 124 21 13 GLU HB2 H 2.065 0.003 2 125 21 13 GLU HB3 H 2.189 0.003 2 126 21 13 GLU HG2 H 2.176 0.003 2 127 21 13 GLU HG3 H 2.176 0.003 2 128 21 13 GLU C C 174.209 0.003 1 129 21 13 GLU CA C 57.58 0.003 1 130 21 13 GLU CB C 28.88 0.003 1 131 21 13 GLU CG C 37.75 0.003 1 132 21 13 GLU N N 121.2 0.003 1 133 22 14 PHE H H 9.13 0.003 1 134 22 14 PHE HA H 5.369 0.003 1 135 22 14 PHE HB2 H 2.043 0.003 2 136 22 14 PHE HB3 H 2.043 0.003 2 137 22 14 PHE CA C 55.7 0.003 1 138 22 14 PHE CB C 42.35 0.003 1 139 22 14 PHE N N 116.4 0.003 1 140 23 15 ILE H H 8.537 0.003 1 141 23 15 ILE HA H 4.555 0.003 1 142 23 15 ILE HB H 1.693 0.003 1 143 23 15 ILE HD1 H 0.723 0.003 1 144 23 15 ILE HG12 H 1.46 0.003 1 145 23 15 ILE HG13 H 1.46 0.003 2 146 23 15 ILE C C 175.382 0.003 1 147 23 15 ILE CA C 60.67 0.003 1 148 23 15 ILE CB C 42.43 0.003 1 149 23 15 ILE CD1 C 16.13 0.003 1 150 23 15 ILE CG2 C 17.61 0.003 1 151 23 15 ILE N N 119.3 0.003 1 152 24 16 LEU H H 8.87 0.003 1 153 24 16 LEU HA H 5.203 0.003 1 154 24 16 LEU HB2 H 1.481 0.003 2 155 24 16 LEU HB3 H 1.481 0.003 2 156 24 16 LEU HD1 H 0.5402 0.003 2 157 24 16 LEU HD2 H -0.445 0.003 2 158 24 16 LEU HG H 0.911 0.003 1 159 24 16 LEU C C 174.25 0.003 1 160 24 16 LEU CA C 54.07 0.003 1 161 24 16 LEU CB C 46.09 0.003 1 162 24 16 LEU CG C 25.58 0.003 1 163 24 16 LEU N N 124.4 0.003 1 164 25 17 ASN H H 8.398 0.003 1 165 25 17 ASN HA H 5.856 0.003 1 166 25 17 ASN HB2 H 2.45 0.003 2 167 25 17 ASN HB3 H 2.45 0.003 2 168 25 17 ASN C C 175.824 0.003 1 169 25 17 ASN CA C 50.53 0.003 1 170 25 17 ASN CB C 41.98 0.003 1 171 25 17 ASN N N 119.3 0.003 1 172 26 18 ASP H H 9.199 0.003 1 173 26 18 ASP HA H 4.471 0.003 1 174 26 18 ASP HB2 H 2.622 0.003 2 175 26 18 ASP HB3 H 2.451 0.003 2 176 26 18 ASP C C 178.903 0.003 1 177 26 18 ASP CA C 53.24 0.003 1 178 26 18 ASP CB C 42.27 0.003 1 179 26 18 ASP N N 121.2 0.003 1 180 27 19 ALA H H 6.067 0.003 1 181 27 19 ALA HA H 3.903 0.003 1 182 27 19 ALA HB H 1.31 0.003 1 183 27 19 ALA C C 178.268 0.003 1 184 27 19 ALA CA C 54.88 0.003 1 185 27 19 ALA CB C 20.49 0.003 1 186 27 19 ALA N N 117.1 0.003 1 187 28 20 LEU H H 8.01 0.003 1 188 28 20 LEU HA H 4.225 0.003 1 189 28 20 LEU HB2 H 1.482 0.003 2 190 28 20 LEU HB3 H 1.627 0.003 2 191 28 20 LEU HD1 H 0.6553 0.003 1 192 28 20 LEU HD2 H 0.6553 0.003 1 193 28 20 LEU HG H 1.304 0.003 1 194 28 20 LEU C C 176.418 0.003 1 195 28 20 LEU CA C 54.38 0.003 1 196 28 20 LEU CB C 41.56 0.003 1 197 28 20 LEU CD1 C 25.56 0.003 2 198 28 20 LEU CD2 C 22.72 0.003 2 199 28 20 LEU CG C 27.59 0.003 1 200 28 20 LEU N N 117.0 0.003 1 201 29 21 ASN H H 8.356 0.003 1 202 29 21 ASN HA H 4.048 0.003 1 203 29 21 ASN HB2 H 2.794 0.003 2 204 29 21 ASN HB3 H 2.992 0.003 2 205 29 21 ASN C C 174.374 0.003 1 206 29 21 ASN CA C 55.41 0.003 1 207 29 21 ASN CB C 37.46 0.003 1 208 29 21 ASN N N 112.8 0.003 1 209 30 22 GLN H H 8.421 0.003 1 210 30 22 GLN HA H 3.877 0.003 1 211 30 22 GLN HB2 H 2.313 0.003 2 212 30 22 GLN HB3 H 2.313 0.003 2 213 30 22 GLN C C 175.267 0.003 1 214 30 22 GLN CA C 55.72 0.003 1 215 30 22 GLN CB C 30.45 0.003 1 216 30 22 GLN CG C 36.57 0.003 1 217 30 22 GLN N N 116.5 0.003 1 218 31 23 SER H H 8.387 0.003 1 219 31 23 SER HA H 5.546 0.003 1 220 31 23 SER HB2 H 3.874 0.003 2 221 31 23 SER HB3 H 3.874 0.003 2 222 31 23 SER C C 174.219 0.003 1 223 31 23 SER CA C 57.98 0.003 1 224 31 23 SER CB C 65.81 0.003 1 225 31 23 SER N N 119.5 0.003 1 226 32 24 ILE H H 8.297 0.003 1 227 32 24 ILE HA H 4.653 0.003 1 228 32 24 ILE HB H 2.189 0.003 1 229 32 24 ILE HD1 H 0.82 0.003 1 230 32 24 ILE HG12 H 0.98 0.003 1 231 32 24 ILE HG13 H 0.98 0.003 2 232 32 24 ILE C C 176.023 0.003 1 233 32 24 ILE CA C 62.92 0.003 1 234 32 24 ILE CB C 36.46 0.003 1 235 32 24 ILE N N 120.7 0.003 1 236 33 25 ILE H H 8.84 0.003 1 237 33 25 ILE HA H 4.587 0.003 1 238 33 25 ILE HB H 1.81 0.003 1 239 33 25 ILE C C 174.513 0.003 1 240 33 25 ILE CA C 60.73 0.003 1 241 33 25 ILE CB C 43.26 0.003 1 242 33 25 ILE N N 121.0 0.003 1 243 34 26 ARG H H 8.377 0.003 1 244 34 26 ARG HA H 4.621 0.003 1 245 34 26 ARG HB2 H 1.82 0.003 2 246 34 26 ARG HB3 H 1.82 0.003 2 247 34 26 ARG C C 175.694 0.003 1 248 34 26 ARG CA C 57.28 0.003 1 249 34 26 ARG CB C 31.01 0.003 1 250 34 26 ARG N N 118.9 0.003 1 251 35 27 ALA H H 8.092 0.003 1 252 35 27 ALA HA H 4.415 0.003 1 253 35 27 ALA HB H 1.244 0.003 1 254 35 27 ALA C C 175.491 0.003 1 255 35 27 ALA CA C 52.28 0.003 1 256 35 27 ALA CB C 21.71 0.003 1 257 35 27 ALA N N 124.5 0.003 1 258 36 28 ASN H H 8.298 0.003 1 259 36 28 ASN HA H 4.281 0.003 1 260 36 28 ASN HB2 H 3.05 0.003 2 261 36 28 ASN HB3 H 3.05 0.003 2 262 36 28 ASN CA C 54.09 0.003 1 263 36 28 ASN CB C 48.34 0.003 1 264 36 28 ASN N N 115.2 0.003 1 265 37 29 ASP HA H 4.223 0.003 1 266 37 29 ASP HB2 H 2.452 0.003 2 267 37 29 ASP HB3 H 2.452 0.003 2 268 37 29 ASP C C 176.915 0.003 1 269 37 29 ASP CA C 57.46 0.003 1 270 37 29 ASP CB C 41.0 0.003 1 271 38 30 GLN H H 7.848 0.003 1 272 38 30 GLN HA H 4.364 0.003 1 273 38 30 GLN HB2 H 1.484 0.003 2 274 38 30 GLN HB3 H 1.629 0.003 2 275 38 30 GLN C C 173.487 0.003 1 276 38 30 GLN CA C 56.46 0.003 1 277 38 30 GLN CB C 31.12 0.003 1 278 38 30 GLN CG C 34.38 0.003 1 279 38 30 GLN N N 114.3 0.003 1 280 39 31 TYR H H 7.256 0.003 1 281 39 31 TYR HA H 5.19 0.003 1 282 39 31 TYR HB2 H 3.172 0.003 2 283 39 31 TYR HB3 H 3.172 0.003 2 284 39 31 TYR C C 175.399 0.003 1 285 39 31 TYR CA C 55.01 0.003 1 286 39 31 TYR CB C 42.33 0.003 1 287 39 31 TYR N N 114.6 0.003 1 288 40 32 LEU H H 9.72 0.003 1 289 40 32 LEU HA H 5.172 0.003 1 290 40 32 LEU HB2 H 1.52 0.003 2 291 40 32 LEU HB3 H 1.52 0.003 2 292 40 32 LEU HD1 H 0.634 0.003 2 293 40 32 LEU HG H 1.236 0.003 1 294 40 32 LEU C C 176.431 0.003 1 295 40 32 LEU CA C 53.95 0.003 1 296 40 32 LEU CB C 45.59 0.003 1 297 40 32 LEU CG C 25.97 0.003 1 298 40 32 LEU N N 119.3 0.003 1 299 41 33 THR H H 9.074 0.003 1 300 41 33 THR HA H 4.676 0.003 1 301 41 33 THR HB H 3.986 0.003 1 302 41 33 THR HG2 H 0.616 0.003 1 303 41 33 THR C C 170.358 0.003 1 304 41 33 THR CA C 60.92 0.003 1 305 41 33 THR CB C 70.44 0.003 1 306 41 33 THR N N 115.3 0.003 1 307 42 34 ALA H H 8.27 0.003 1 308 42 34 ALA HA H 5.441 0.003 1 309 42 34 ALA HB H 1.062 0.003 1 310 42 34 ALA C C 175.917 0.003 1 311 42 34 ALA CA C 51.3 0.003 1 312 42 34 ALA CB C 22.42 0.003 1 313 42 34 ALA N N 122.9 0.003 1 314 43 35 ALA H H 8.717 0.003 1 315 43 35 ALA HA H 4.455 0.003 1 316 43 35 ALA HB H 1.169 0.003 1 317 43 35 ALA C C 176.333 0.003 1 318 43 35 ALA CA C 51.83 0.003 1 319 43 35 ALA CB C 23.64 0.003 1 320 43 35 ALA N N 122.1 0.003 1 321 44 36 ALA H H 8.767 0.003 1 322 44 36 ALA HA H 4.448 0.003 1 323 44 36 ALA HB H 1.195 0.003 1 324 44 36 ALA C C 176.661 0.003 1 325 44 36 ALA CA C 53.02 0.003 1 326 44 36 ALA CB C 18.2 0.003 1 327 44 36 ALA N N 124.3 0.003 1 328 45 37 LEU H H 8.567 0.003 1 329 45 37 LEU HA H 4.423 0.003 1 330 45 37 LEU HB2 H 1.234 0.003 2 331 45 37 LEU HB3 H 1.234 0.003 2 332 45 37 LEU HD1 H 0.708 0.003 1 333 45 37 LEU HD2 H 0.708 0.003 1 334 45 37 LEU CA C 54.33 0.003 1 335 45 37 LEU CB C 44.49 0.003 1 336 45 37 LEU N N 123.8 0.003 1 337 47 39 ASN HA H 4.668 0.003 1 338 47 39 ASN HB2 H 2.568 0.003 2 339 47 39 ASN HB3 H 2.81 0.003 2 340 47 39 ASN C C 175.314 0.003 1 341 47 39 ASN CA C 52.3 0.003 1 342 47 39 ASN CB C 39.7 0.003 1 343 48 40 LEU H H 8.673 0.003 1 344 48 40 LEU HA H 3.915 0.003 1 345 48 40 LEU HB2 H 1.543 0.003 2 346 48 40 LEU HB3 H 1.543 0.003 2 347 48 40 LEU HD1 H 0.7373 0.003 1 348 48 40 LEU HD2 H 0.7373 0.003 1 349 48 40 LEU HG H 0.7379 0.003 1 350 48 40 LEU C C 177.858 0.003 1 351 48 40 LEU CA C 57.34 0.003 1 352 48 40 LEU CB C 41.65 0.003 1 353 48 40 LEU CD1 C 24.04 0.003 1 354 48 40 LEU CD2 C 24.04 0.003 1 355 48 40 LEU CG C 25.75 0.003 1 356 48 40 LEU N N 122.9 0.003 1 357 49 41 ASP H H 8.185 0.003 1 358 49 41 ASP HA H 4.198 0.003 1 359 49 41 ASP HB2 H 2.493 0.003 2 360 49 41 ASP HB3 H 2.493 0.003 2 361 49 41 ASP C C 177.103 0.003 1 362 49 41 ASP CA C 57.32 0.003 1 363 49 41 ASP CB C 40.65 0.003 1 364 49 41 ASP N N 117.8 0.003 1 365 50 42 GLU H H 7.504 0.003 1 366 50 42 GLU HA H 4.009 0.003 1 367 50 42 GLU HB2 H 1.983 0.003 2 368 50 42 GLU HB3 H 1.983 0.003 2 369 50 42 GLU HG2 H 2.13 0.003 2 370 50 42 GLU HG3 H 2.13 0.003 2 371 50 42 GLU C C 176.054 0.003 1 372 50 42 GLU CA C 57.09 0.003 1 373 50 42 GLU CB C 30.56 0.003 1 374 50 42 GLU CG C 37.31 0.003 1 375 50 42 GLU N N 113.9 0.003 1 376 51 43 ALA H H 7.284 0.003 1 377 51 43 ALA HA H 4.063 0.003 1 378 51 43 ALA HB H 1.405 0.003 1 379 51 43 ALA C C 177.776 0.003 1 380 51 43 ALA CA C 52.8 0.003 1 381 51 43 ALA CB C 20.28 0.003 1 382 51 43 ALA N N 120.2 0.003 1 383 52 44 VAL H H 8.15 0.003 1 384 52 44 VAL HA H 3.47 0.003 1 385 52 44 VAL HB H 1.393 0.003 1 386 52 44 VAL HG1 H 0.6553 0.003 2 387 52 44 VAL HG2 H -0.266 0.003 2 388 52 44 VAL C C 173.747 0.003 1 389 52 44 VAL CA C 63.33 0.003 1 390 52 44 VAL CB C 32.31 0.003 1 391 52 44 VAL CG1 C 25.25 0.003 2 392 52 44 VAL CG2 C 22.89 0.003 2 393 52 44 VAL N N 121.5 0.003 1 394 53 45 LYS H H 7.45 0.003 1 395 53 45 LYS HA H 4.461 0.003 1 396 53 45 LYS HB2 H 1.06 0.003 2 397 53 45 LYS HB3 H 1.06 0.003 2 398 53 45 LYS HG2 H 1.332 0.003 2 399 53 45 LYS HG3 H 1.332 0.003 2 400 53 45 LYS C C 174.864 0.003 1 401 53 45 LYS CA C 54.61 0.003 1 402 53 45 LYS CB C 32.91 0.003 1 403 53 45 LYS CD C 28.93 0.003 1 404 53 45 LYS CG C 26.79 0.003 1 405 53 45 LYS N N 123.3 0.003 1 406 54 46 PHE H H 9.016 0.003 1 407 54 46 PHE HA H 4.94 0.003 1 408 54 46 PHE HB2 H 2.012 0.003 2 409 54 46 PHE HB3 H 2.012 0.003 2 410 54 46 PHE C C 174.874 0.003 1 411 54 46 PHE CA C 57.05 0.003 1 412 54 46 PHE CB C 43.32 0.003 1 413 54 46 PHE N N 119.4 0.003 1 414 55 47 ASP H H 9.005 0.003 1 415 55 47 ASP HA H 5.243 0.003 1 416 55 47 ASP HB2 H 2.559 0.003 2 417 55 47 ASP HB3 H 2.559 0.003 2 418 55 47 ASP C C 175.076 0.003 1 419 55 47 ASP CA C 52.55 0.003 1 420 55 47 ASP CB C 44.42 0.003 1 421 55 47 ASP N N 112.1 0.003 1 422 56 48 MET H H 8.686 0.003 1 423 56 48 MET HA H 5.602 0.003 1 424 56 48 MET HB2 H 1.8 0.003 2 425 56 48 MET HB3 H 1.8 0.003 2 426 56 48 MET HG2 H 2.116 0.003 2 427 56 48 MET HG3 H 2.116 0.003 2 428 56 48 MET C C 175.427 0.003 1 429 56 48 MET CA C 54.44 0.003 1 430 56 48 MET CB C 39.1 0.003 1 431 56 48 MET CG C 31.58 0.003 1 432 56 48 MET N N 117.1 0.003 1 433 57 49 GLY H H 9.129 0.003 1 434 57 49 GLY HA2 H 3.461 0.003 1 435 57 49 GLY HA3 H 5.071 0.003 2 436 57 49 GLY C C 170.586 0.003 1 437 57 49 GLY CA C 45.13 0.003 1 438 57 49 GLY N N 111.8 0.003 1 439 58 50 ALA H H 8.678 0.003 1 440 58 50 ALA HA H 5.464 0.003 1 441 58 50 ALA HB H 1.39 0.003 1 442 58 50 ALA C C 175.586 0.003 1 443 58 50 ALA CA C 52.06 0.003 1 444 58 50 ALA CB C 22.53 0.003 1 445 58 50 ALA N N 123.8 0.003 1 446 59 51 TYR H H 9.238 0.003 1 447 59 51 TYR HA H 4.844 0.003 1 448 59 51 TYR HB2 H 2.49 0.003 1 449 59 51 TYR HB3 H 2.638 0.003 2 450 59 51 TYR C C 174.672 0.003 1 451 59 51 TYR CA C 57.71 0.003 1 452 59 51 TYR CB C 43.39 0.003 1 453 59 51 TYR N N 119.4 0.003 1 454 60 52 LYS H H 9.121 0.003 1 455 60 52 LYS HA H 4.924 0.003 1 456 60 52 LYS HB2 H 1.974 0.003 2 457 60 52 LYS HB3 H 1.875 0.003 2 458 60 52 LYS HD2 H 1.697 0.003 2 459 60 52 LYS HD3 H 1.697 0.003 2 460 60 52 LYS HE2 H 2.88 0.003 2 461 60 52 LYS HE3 H 2.88 0.003 2 462 60 52 LYS HG2 H 1.446 0.003 2 463 60 52 LYS HG3 H 1.446 0.003 2 464 60 52 LYS C C 176.572 0.003 1 465 60 52 LYS CA C 55.14 0.003 1 466 60 52 LYS CB C 35.94 0.003 1 467 60 52 LYS CD C 29.51 0.003 1 468 60 52 LYS CG C 25.17 0.003 1 469 60 52 LYS N N 119.4 0.003 1 470 61 53 SER H H 9.293 0.003 1 471 61 53 SER HA H 4.482 0.003 1 472 61 53 SER HB2 H 3.735 0.003 2 473 61 53 SER HB3 H 3.735 0.003 2 474 61 53 SER C C 175.148 0.003 1 475 61 53 SER CA C 57.71 0.003 1 476 61 53 SER CB C 64.78 0.003 1 477 61 53 SER N N 121.2 0.003 1 478 62 54 SER H H 8.31 0.003 1 479 62 54 SER HA H 4.172 0.003 1 480 62 54 SER HB2 H 3.973 0.003 2 481 62 54 SER HB3 H 3.973 0.003 2 482 62 54 SER CA C 60.13 0.003 1 483 62 54 SER N N 117.8 0.003 1 484 64 56 ASP HA H 4.452 0.003 1 485 64 56 ASP HB2 H 2.453 0.003 2 486 64 56 ASP HB3 H 2.618 0.003 2 487 64 56 ASP C C 175.313 0.003 1 488 64 56 ASP CA C 55.12 0.003 1 489 64 56 ASP CB C 41.39 0.003 1 490 65 57 ASP H H 7.987 0.003 1 491 65 57 ASP HA H 4.474 0.003 1 492 65 57 ASP HB2 H 2.614 0.003 2 493 65 57 ASP HB3 H 2.614 0.003 2 494 65 57 ASP C C 175.843 0.003 1 495 65 57 ASP CA C 54.97 0.003 1 496 65 57 ASP CB C 42.02 0.003 1 497 65 57 ASP N N 120.0 0.003 1 498 66 58 ALA H H 8.247 0.003 1 499 66 58 ALA HA H 4.199 0.003 1 500 66 58 ALA HB H 1.301 0.003 1 501 66 58 ALA C C 177.772 0.003 1 502 66 58 ALA CA C 53.48 0.003 1 503 66 58 ALA CB C 19.79 0.003 1 504 66 58 ALA N N 121.6 0.003 1 505 67 59 LYS H H 7.717 0.003 1 506 67 59 LYS HA H 4.22 0.003 1 507 67 59 LYS HB2 H 1.599 0.003 2 508 67 59 LYS HB3 H 1.599 0.003 2 509 67 59 LYS HD2 H 1.298 0.003 2 510 67 59 LYS HD3 H 1.298 0.003 2 511 67 59 LYS HE2 H 2.617 0.003 2 512 67 59 LYS HE3 H 2.617 0.003 2 513 67 59 LYS HG2 H 1.142 0.003 2 514 67 59 LYS HG3 H 1.142 0.003 2 515 67 59 LYS C C 175.474 0.003 1 516 67 59 LYS CA C 56.5 0.003 1 517 67 59 LYS CB C 34.23 0.003 1 518 67 59 LYS CD C 29.17 0.003 1 519 67 59 LYS CE C 42.14 0.003 1 520 67 59 LYS CG C 25.49 0.003 1 521 67 59 LYS N N 117.5 0.003 1 522 68 60 ILE H H 8.777 0.003 1 523 68 60 ILE HA H 4.44 0.003 1 524 68 60 ILE HB H 2.193 0.003 1 525 68 60 ILE HG12 H 0.9355 0.003 2 526 68 60 ILE HG13 H 0.9355 0.003 2 527 68 60 ILE HG2 H 0.7202 0.003 1 528 68 60 ILE C C 175.636 0.003 1 529 68 60 ILE CA C 62.08 0.003 1 530 68 60 ILE CB C 38.42 0.003 1 531 68 60 ILE CG2 C 18.49 0.003 1 532 68 60 ILE N N 124.4 0.003 1 533 69 61 THR H H 8.579 0.003 1 534 69 61 THR HA H 5.044 0.003 1 535 69 61 THR HB H 3.889 0.003 1 536 69 61 THR HG2 H 0.6907 0.003 1 537 69 61 THR C C 174.509 0.003 1 538 69 61 THR CA C 62.05 0.003 1 539 69 61 THR CB C 70.58 0.003 1 540 69 61 THR N N 121.8 0.003 1 541 70 62 VAL H H 9.968 0.003 1 542 70 62 VAL HA H 6.154 0.003 1 543 70 62 VAL HB H 2.287 0.003 1 544 70 62 VAL HG1 H 1.118 0.003 2 545 70 62 VAL HG2 H 0.8647 0.003 2 546 70 62 VAL C C 173.929 0.003 1 547 70 62 VAL CA C 58.65 0.003 1 548 70 62 VAL CB C 37.26 0.003 1 549 70 62 VAL CG1 C 22.11 0.003 2 550 70 62 VAL CG2 C 17.76 0.003 2 551 70 62 VAL N N 115.9 0.003 1 552 71 63 ILE H H 8.839 0.003 1 553 71 63 ILE HA H 4.967 0.003 1 554 71 63 ILE HB H 1.732 0.003 1 555 71 63 ILE HD1 H -0.315 0.003 1 556 71 63 ILE HG12 H 0.9503 0.003 2 557 71 63 ILE HG13 H 0.9503 0.003 2 558 71 63 ILE C C 173.762 0.003 1 559 71 63 ILE CA C 58.96 0.003 1 560 71 63 ILE CG1 C 18.38 0.003 1 561 71 63 ILE N N 117.1 0.003 1 562 72 64 LEU H H 10.42 0.003 1 563 72 64 LEU HA H 5.089 0.003 1 564 72 64 LEU HB2 H 1.372 0.003 2 565 72 64 LEU HB3 H 1.372 0.003 2 566 72 64 LEU HD1 H 0.136 0.003 1 567 72 64 LEU HD2 H 0.136 0.003 1 568 72 64 LEU HG H 0.67 0.003 1 569 72 64 LEU C C 174.254 0.003 1 570 72 64 LEU CA C 54.3 0.003 1 571 72 64 LEU CB C 44.91 0.003 1 572 72 64 LEU CG C 24.03 0.003 1 573 72 64 LEU N N 126.0 0.003 1 574 73 65 ARG H H 8.408 0.003 1 575 73 65 ARG HA H 4.836 0.003 1 576 73 65 ARG HB2 H 2.021 0.003 1 577 73 65 ARG HB3 H 2.221 0.003 2 578 73 65 ARG HD2 H 2.57 0.003 2 579 73 65 ARG HD3 H 2.57 0.003 2 580 73 65 ARG HG2 H 0.968 0.003 1 581 73 65 ARG HG3 H 1.092 0.003 2 582 73 65 ARG C C 175.13 0.003 1 583 73 65 ARG CA C 52.99 0.003 1 584 73 65 ARG CB C 35.33 0.003 1 585 73 65 ARG N N 120.1 0.003 1 586 74 66 ILE H H 8.052 0.003 1 587 74 66 ILE HA H 3.72 0.003 1 588 74 66 ILE HB H 1.829 0.003 1 589 74 66 ILE HG2 H 0.581 0.003 1 590 74 66 ILE C C 176.563 0.003 1 591 74 66 ILE CA C 61.82 0.003 1 592 74 66 ILE CB C 34.67 0.003 1 593 74 66 ILE CG2 C 17.28 0.003 1 594 74 66 ILE N N 122.6 0.003 1 595 75 67 SER H H 9.157 0.003 1 596 75 67 SER HA H 3.921 0.003 1 597 75 67 SER HB2 H 3.72 0.003 2 598 75 67 SER HB3 H 3.72 0.003 2 599 75 67 SER C C 174.364 0.003 1 600 75 67 SER CA C 61.89 0.003 1 601 75 67 SER CB C 63.17 0.003 1 602 75 67 SER N N 128.2 0.003 1 603 76 68 LYS H H 9.142 0.003 1 604 76 68 LYS HA H 3.655 0.003 1 605 76 68 LYS HB2 H 1.824 0.003 2 606 76 68 LYS HB3 H 1.986 0.003 2 607 76 68 LYS HG2 H 1.16 0.003 2 608 76 68 LYS HG3 H 1.16 0.003 2 609 76 68 LYS C C 175.33 0.003 1 610 76 68 LYS CA C 58.24 0.003 1 611 76 68 LYS CB C 29.81 0.003 1 612 76 68 LYS CE C 42.73 0.003 1 613 76 68 LYS CG C 26.14 0.003 1 614 76 68 LYS N N 113.9 0.003 1 615 77 69 THR H H 7.708 0.003 1 616 77 69 THR HA H 4.964 0.003 1 617 77 69 THR HB H 3.435 0.003 1 618 77 69 THR HG2 H 0.9279 0.003 1 619 77 69 THR C C 173.721 0.003 1 620 77 69 THR CA C 60.7 0.003 1 621 77 69 THR CB C 71.75 0.003 1 622 77 69 THR N N 108.6 0.003 1 623 78 70 GLN H H 8.84 0.003 1 624 78 70 GLN CA C 55.14 0.003 1 625 78 70 GLN CB C 32.23 0.003 1 626 78 70 GLN N N 123.7 0.003 1 627 79 71 LEU HA H 4.482 0.003 1 628 79 71 LEU HB2 H 0.702 0.003 2 629 79 71 LEU HB3 H 0.702 0.003 2 630 79 71 LEU C C 175.122 0.003 1 631 79 71 LEU CA C 54.33 0.003 1 632 79 71 LEU CB C 44.12 0.003 1 633 79 71 LEU CG C 26.42 0.003 1 634 80 72 TYR H H 8.716 0.003 1 635 80 72 TYR HA H 4.841 0.003 1 636 80 72 TYR HB2 H 2.506 0.003 2 637 80 72 TYR HB3 H 2.506 0.003 2 638 80 72 TYR C C 176.174 0.003 1 639 80 72 TYR CA C 57.22 0.003 1 640 80 72 TYR CB C 41.35 0.003 1 641 80 72 TYR N N 118.5 0.003 1 642 81 73 VAL H H 8.442 0.003 1 643 81 73 VAL HA H 3.629 0.003 1 644 81 73 VAL HB H 1.741 0.003 1 645 81 73 VAL HG1 H 0.6789 0.003 2 646 81 73 VAL HG2 H 0.5402 0.003 2 647 81 73 VAL C C 174.977 0.003 1 648 81 73 VAL CA C 64.73 0.003 1 649 81 73 VAL CB C 32.0 0.003 1 650 81 73 VAL N N 120.8 0.003 1 651 82 74 THR H H 8.721 0.003 1 652 82 74 THR HA H 4.797 0.003 1 653 82 74 THR HB H 3.708 0.003 1 654 82 74 THR C C 173.603 0.003 1 655 82 74 THR CA C 60.92 0.003 1 656 82 74 THR CB C 71.78 0.003 1 657 82 74 THR N N 117.1 0.003 1 658 83 75 ALA H H 8.356 0.003 1 659 83 75 ALA HA H 4.167 0.003 1 660 83 75 ALA HB H 1.475 0.003 1 661 83 75 ALA C C 177.696 0.003 1 662 83 75 ALA CA C 53.3 0.003 1 663 83 75 ALA CB C 21.84 0.003 1 664 83 75 ALA N N 124.0 0.003 1 665 84 76 GLN H H 7.978 0.003 1 666 84 76 GLN HA H 4.471 0.003 1 667 84 76 GLN HB2 H 2.074 0.003 2 668 84 76 GLN HB3 H 2.074 0.003 2 669 84 76 GLN HG2 H 2.464 0.003 2 670 84 76 GLN HG3 H 2.464 0.003 2 671 84 76 GLN C C 172.876 0.003 1 672 84 76 GLN CA C 56.97 0.003 1 673 84 76 GLN CB C 30.33 0.003 1 674 84 76 GLN CG C 36.64 0.003 1 675 84 76 GLN N N 120.3 0.003 1 676 85 77 ASP H H 7.49 0.003 1 677 85 77 ASP HA H 4.331 0.003 1 678 85 77 ASP HB2 H 2.242 0.003 2 679 85 77 ASP HB3 H 2.602 0.003 2 680 85 77 ASP C C 176.198 0.003 1 681 85 77 ASP CA C 52.58 0.003 1 682 85 77 ASP CB C 43.63 0.003 1 683 85 77 ASP N N 117.1 0.003 1 684 86 78 GLU H H 9.054 0.003 1 685 86 78 GLU HA H 3.315 0.003 1 686 86 78 GLU HB2 H 1.868 0.003 2 687 86 78 GLU HB3 H 2.172 0.003 2 688 86 78 GLU C C 175.488 0.003 1 689 86 78 GLU CA C 59.49 0.003 1 690 86 78 GLU CB C 29.67 0.003 1 691 86 78 GLU N N 120.4 0.003 1 692 87 79 ASP H H 9.032 0.003 1 693 87 79 ASP HA H 4.402 0.003 1 694 87 79 ASP HB2 H 2.862 0.003 2 695 87 79 ASP HB3 H 2.862 0.003 2 696 87 79 ASP C C 174.507 0.003 1 697 87 79 ASP CA C 57.24 0.003 1 698 87 79 ASP CB C 39.75 0.003 1 699 87 79 ASP N N 118.6 0.003 1 700 88 80 GLN H H 7.69 0.003 1 701 88 80 GLN HA H 4.414 0.003 1 702 88 80 GLN HB2 H 1.921 0.003 2 703 88 80 GLN HB3 H 1.921 0.003 2 704 88 80 GLN CA C 53.6 0.003 1 705 88 80 GLN CB C 29.96 0.003 1 706 88 80 GLN N N 115.7 0.003 1 707 89 81 PRO HA H 4.826 0.003 1 708 89 81 PRO HB2 H 2.196 0.003 2 709 89 81 PRO HB3 H 2.196 0.003 2 710 89 81 PRO C C 178.589 0.003 1 711 89 81 PRO CA C 62.96 0.003 1 712 89 81 PRO CB C 32.64 0.003 1 713 90 82 VAL H H 8.007 0.003 1 714 90 82 VAL HA H 4.505 0.003 1 715 90 82 VAL HB H 2.709 0.003 1 716 90 82 VAL HG1 H 0.7379 0.003 2 717 90 82 VAL HG2 H 0.614 0.003 2 718 90 82 VAL C C 174.309 0.003 1 719 90 82 VAL CA C 62.39 0.003 1 720 90 82 VAL CB C 31.34 0.003 1 721 90 82 VAL CG1 C 21.95 0.003 2 722 90 82 VAL CG2 C 20.25 0.003 2 723 90 82 VAL N N 113.6 0.003 1 724 91 83 LEU H H 8.613 0.003 1 725 91 83 LEU HA H 5.019 0.003 1 726 91 83 LEU HB2 H 1.251 0.003 2 727 91 83 LEU HB3 H 1.251 0.003 2 728 91 83 LEU HG H 0.614 0.003 1 729 91 83 LEU C C 176.824 0.003 1 730 91 83 LEU CA C 53.46 0.003 1 731 91 83 LEU CB C 47.13 0.003 1 732 91 83 LEU CG C 25.33 0.003 1 733 91 83 LEU N N 119.9 0.003 1 734 92 84 LEU H H 8.459 0.003 1 735 92 84 LEU HA H 4.768 0.003 1 736 92 84 LEU HB2 H 1.573 0.003 2 737 92 84 LEU HB3 H 1.573 0.003 2 738 92 84 LEU HG H 0.605 0.003 1 739 92 84 LEU C C 175.826 0.003 1 740 92 84 LEU CA C 53.96 0.003 1 741 92 84 LEU CB C 42.78 0.003 1 742 92 84 LEU CG C 25.86 0.003 1 743 92 84 LEU N N 122.1 0.003 1 744 93 85 LYS H H 9.082 0.003 1 745 93 85 LYS HA H 4.467 0.003 1 746 93 85 LYS HB2 H 1.458 0.003 2 747 93 85 LYS HB3 H 1.606 0.003 2 748 93 85 LYS HD2 H 1.529 0.003 2 749 93 85 LYS HD3 H 1.529 0.003 2 750 93 85 LYS HG2 H 0.504 0.003 1 751 93 85 LYS HG3 H 0.693 0.003 2 752 93 85 LYS C C 174.976 0.003 1 753 93 85 LYS CA C 55.12 0.003 1 754 93 85 LYS CB C 36.95 0.003 1 755 93 85 LYS CD C 29.94 0.003 1 756 93 85 LYS CG C 25.49 0.003 1 757 93 85 LYS N N 124.1 0.003 1 758 94 86 GLU H H 8.59 0.003 1 759 94 86 GLU HA H 5.121 0.003 1 760 94 86 GLU HB2 H 1.685 0.003 2 761 94 86 GLU HB3 H 1.788 0.003 2 762 94 86 GLU HG2 H 1.971 0.003 2 763 94 86 GLU HG3 H 1.971 0.003 2 764 94 86 GLU C C 176.939 0.003 1 765 94 86 GLU CA C 56.11 0.003 1 766 94 86 GLU CB C 31.09 0.003 1 767 94 86 GLU CG C 37.3 0.003 1 768 94 86 GLU N N 125.7 0.003 1 769 95 87 MET H H 8.812 0.003 1 770 95 87 MET HA H 4.962 0.003 1 771 95 87 MET HB2 H 1.977 0.003 2 772 95 87 MET HB3 H 2.29 0.003 2 773 95 87 MET CA C 53.26 0.003 1 774 95 87 MET CB C 35.17 0.003 1 775 95 87 MET N N 122.9 0.003 1 776 96 88 PRO HA H 4.173 0.003 1 777 96 88 PRO HB2 H 1.643 0.003 2 778 96 88 PRO HB3 H 2.181 0.003 2 779 96 88 PRO C C 175.648 0.003 1 780 96 88 PRO CA C 63.1 0.003 1 781 96 88 PRO CB C 32.5 0.003 1 782 96 88 PRO CG C 27.89 0.003 1 783 97 89 GLU H H 6.928 0.003 1 784 97 89 GLU HA H 4.296 0.003 1 785 97 89 GLU HB2 H 1.508 0.003 2 786 97 89 GLU HB3 H 1.906 0.003 2 787 97 89 GLU C C 174.385 0.003 1 788 97 89 GLU CA C 54.3 0.003 1 789 97 89 GLU CB C 32.69 0.003 1 790 97 89 GLU CG C 35.27 0.003 1 791 97 89 GLU N N 110.6 0.003 1 792 98 90 ILE H H 8.223 0.003 1 793 98 90 ILE CA C 60.05 0.003 1 794 98 90 ILE CB C 39.66 0.003 1 795 98 90 ILE N N 123.5 0.003 1 796 99 91 PRO HA H 4.137 0.003 1 797 99 91 PRO HB2 H 1.583 0.003 2 798 99 91 PRO HB3 H 1.583 0.003 2 799 99 91 PRO C C 178.045 0.003 1 800 99 91 PRO CA C 63.1 0.003 1 801 99 91 PRO CB C 31.99 0.003 1 802 99 91 PRO CG C 28.44 0.003 1 803 100 92 LYS H H 8.67 0.003 1 804 100 92 LYS HA H 4.029 0.003 1 805 100 92 LYS HB2 H 1.862 0.003 2 806 100 92 LYS HB3 H 1.862 0.003 2 807 100 92 LYS HD2 H 1.564 0.003 2 808 100 92 LYS HD3 H 1.564 0.003 2 809 100 92 LYS HE2 H 2.9 0.003 2 810 100 92 LYS HE3 H 2.9 0.003 2 811 100 92 LYS C C 177.612 0.003 1 812 100 92 LYS CA C 59.24 0.003 1 813 100 92 LYS CB C 32.72 0.003 1 814 100 92 LYS CD C 29.1 0.003 1 815 100 92 LYS CG C 25.86 0.003 1 816 100 92 LYS N N 124.1 0.003 1 817 101 93 THR H H 7.622 0.003 1 818 101 93 THR HA H 5.331 0.003 1 819 101 93 THR HB H 3.735 0.003 1 820 101 93 THR C C 172.858 0.003 1 821 101 93 THR CA C 61.23 0.003 1 822 101 93 THR CB C 72.34 0.003 1 823 101 93 THR N N 111.4 0.003 1 824 102 94 ILE H H 9.147 0.003 1 825 102 94 ILE HA H 4.284 0.003 1 826 102 94 ILE HB H 1.139 0.003 1 827 102 94 ILE CA C 61.05 0.003 1 828 102 94 ILE CB C 42.39 0.003 1 829 102 94 ILE N N 125.2 0.003 1 830 103 95 THR HA H 4.525 0.003 1 831 103 95 THR HB H 4.092 0.003 1 832 103 95 THR C C 173.711 0.003 1 833 103 95 THR CA C 60.92 0.003 1 834 103 95 THR CB C 71.18 0.003 1 835 104 96 GLY H H 8.465 0.003 1 836 104 96 GLY HA2 H 4.63 0.003 2 837 104 96 GLY HA3 H 4.63 0.003 2 838 104 96 GLY CA C 47.48 0.003 1 839 104 96 GLY N N 108.1 0.003 1 840 105 97 SER HA H 4.034 0.003 1 841 105 97 SER HB2 H 3.769 0.003 2 842 105 97 SER HB3 H 3.769 0.003 2 843 105 97 SER C C 175.401 0.003 1 844 105 97 SER CA C 60.92 0.003 1 845 105 97 SER CB C 63.2 0.003 1 846 106 98 GLU H H 7.631 0.003 1 847 106 98 GLU HA H 4.243 0.003 1 848 106 98 GLU HB2 H 2.045 0.003 2 849 106 98 GLU HB3 H 2.045 0.003 2 850 106 98 GLU HG2 H 2.156 0.003 2 851 106 98 GLU HG3 H 2.156 0.003 2 852 106 98 GLU C C 175.961 0.003 1 853 106 98 GLU CA C 57.94 0.003 1 854 106 98 GLU CB C 30.08 0.003 1 855 106 98 GLU CG C 37.78 0.003 1 856 106 98 GLU N N 117.9 0.003 1 857 107 99 THR H H 7.434 0.003 1 858 107 99 THR HA H 3.19 0.003 1 859 107 99 THR HB H 3.82 0.003 1 860 107 99 THR C C 174.596 0.003 1 861 107 99 THR CA C 64.95 0.003 1 862 107 99 THR CB C 69.1 0.003 1 863 107 99 THR N N 107.9 0.003 1 864 108 100 ASN H H 7.486 0.003 1 865 108 100 ASN HA H 4.148 0.003 1 866 108 100 ASN HB2 H 2.676 0.003 2 867 108 100 ASN HB3 H 3.04 0.003 2 868 108 100 ASN C C 176.63 0.003 1 869 108 100 ASN CA C 55.84 0.003 1 870 108 100 ASN CB C 36.63 0.003 1 871 108 100 ASN N N 117.5 0.003 1 872 109 101 LEU H H 7.458 0.003 1 873 109 101 LEU HA H 4.396 0.003 1 874 109 101 LEU HB2 H 1.526 0.003 2 875 109 101 LEU HB3 H 1.526 0.003 2 876 109 101 LEU HD1 H 0.6641 0.003 1 877 109 101 LEU HD2 H 0.6641 0.003 1 878 109 101 LEU HG H 1.396 0.003 1 879 109 101 LEU C C 175.282 0.003 1 880 109 101 LEU CA C 56.64 0.003 1 881 109 101 LEU CB C 44.89 0.003 1 882 109 101 LEU CD1 C 25.38 0.003 1 883 109 101 LEU CD2 C 25.38 0.003 1 884 109 101 LEU CG C 26.37 0.003 1 885 109 101 LEU N N 120.2 0.003 1 886 110 102 LEU H H 6.837 0.003 1 887 110 102 LEU HA H 4.892 0.003 1 888 110 102 LEU HB2 H 0.935 0.003 2 889 110 102 LEU HB3 H 0.935 0.003 2 890 110 102 LEU HD1 H -0.312 0.003 2 891 110 102 LEU HD2 H -0.474 0.003 2 892 110 102 LEU HG H 0.354 0.003 1 893 110 102 LEU C C 176.656 0.003 1 894 110 102 LEU CA C 53.29 0.003 1 895 110 102 LEU CB C 45.39 0.003 1 896 110 102 LEU CG C 26.29 0.003 1 897 110 102 LEU N N 112.1 0.003 1 898 111 103 PHE H H 9.371 0.003 1 899 111 103 PHE HA H 5.027 0.003 1 900 111 103 PHE HB2 H 2.852 0.003 2 901 111 103 PHE HB3 H 2.852 0.003 2 902 111 103 PHE C C 175.194 0.003 1 903 111 103 PHE CA C 56.99 0.003 1 904 111 103 PHE CB C 43.3 0.003 1 905 111 103 PHE N N 118.5 0.003 1 906 112 104 PHE H H 9.971 0.003 1 907 112 104 PHE HA H 5.512 0.003 1 908 112 104 PHE HB2 H 2.933 0.003 2 909 112 104 PHE HB3 H 2.933 0.003 2 910 112 104 PHE C C 176.088 0.003 1 911 112 104 PHE CA C 57.01 0.003 1 912 112 104 PHE CB C 39.15 0.003 1 913 112 104 PHE N N 121.2 0.003 1 914 113 105 TRP H H 8.895 0.003 1 915 113 105 TRP HA H 5.517 0.003 1 916 113 105 TRP HB2 H 3.198 0.003 2 917 113 105 TRP HB3 H 3.198 0.003 2 918 113 105 TRP C C 175.056 0.003 1 919 113 105 TRP CA C 54.64 0.003 1 920 113 105 TRP CB C 31.11 0.003 1 921 113 105 TRP N N 125.2 0.003 1 922 114 106 GLU H H 8.824 0.003 1 923 114 106 GLU HA H 4.349 0.003 1 924 114 106 GLU HB2 H 1.717 0.003 2 925 114 106 GLU HB3 H 1.717 0.003 2 926 114 106 GLU HG2 H 2.052 0.003 2 927 114 106 GLU HG3 H 2.052 0.003 2 928 114 106 GLU C C 174.063 0.003 1 929 114 106 GLU CA C 54.96 0.003 1 930 114 106 GLU CB C 34.45 0.003 1 931 114 106 GLU CG C 37.24 0.003 1 932 114 106 GLU N N 127.7 0.003 1 933 115 107 THR H H 7.911 0.003 1 934 115 107 THR HA H 4.977 0.003 1 935 115 107 THR HB H 4.34 0.003 1 936 115 107 THR C C 173.557 0.003 1 937 115 107 THR CA C 60.67 0.003 1 938 115 107 THR CB C 72.85 0.003 1 939 115 107 THR N N 114.6 0.003 1 940 116 108 HIS H H 8.168 0.003 1 941 116 108 HIS CA C 54.65 0.003 1 942 116 108 HIS N N 115.6 0.003 1 943 118 110 THR HA H 4.197 0.003 1 944 118 110 THR HB H 4.42 0.003 1 945 118 110 THR C C 174.226 0.003 1 946 118 110 THR CA C 62.63 0.003 1 947 118 110 THR CB C 69.43 0.003 1 948 119 111 LYS H H 7.843 0.003 1 949 119 111 LYS HA H 4.225 0.003 1 950 119 111 LYS HB2 H 1.293 0.003 2 951 119 111 LYS HB3 H 1.293 0.003 2 952 119 111 LYS HD2 H 1.537 0.003 2 953 119 111 LYS HD3 H 1.537 0.003 2 954 119 111 LYS HE2 H 2.06 0.003 2 955 119 111 LYS HE3 H 2.06 0.003 2 956 119 111 LYS C C 174.943 0.003 1 957 119 111 LYS CA C 57.06 0.003 1 958 119 111 LYS CB C 34.95 0.003 1 959 119 111 LYS CD C 29.72 0.003 1 960 119 111 LYS CG C 26.04 0.003 1 961 119 111 LYS N N 119.9 0.003 1 962 120 112 ASN H H 8.7 0.003 1 963 120 112 ASN HA H 5.351 0.003 1 964 120 112 ASN HB2 H 2.676 0.003 2 965 120 112 ASN HB3 H 2.676 0.003 2 966 120 112 ASN C C 172.175 0.003 1 967 120 112 ASN CA C 53.36 0.003 1 968 120 112 ASN CB C 43.09 0.003 1 969 120 112 ASN N N 118.1 0.003 1 970 121 113 TYR HA H 5.022 0.003 1 971 121 113 TYR HB2 H 3.197 0.003 2 972 121 113 TYR HB3 H 3.197 0.003 2 973 121 113 TYR C C 174.611 0.003 1 974 121 113 TYR CA C 56.84 0.003 1 975 121 113 TYR CB C 42.75 0.003 1 976 122 114 PHE H H 10.33 0.003 1 977 122 114 PHE HA H 5.827 0.003 1 978 122 114 PHE HB2 H 2.402 0.003 2 979 122 114 PHE HB3 H 2.582 0.003 2 980 122 114 PHE C C 175.251 0.003 1 981 122 114 PHE CA C 56.69 0.003 1 982 122 114 PHE CB C 42.19 0.003 1 983 122 114 PHE N N 121.5 0.003 1 984 123 115 THR H H 9.085 0.003 1 985 123 115 THR HA H 5.207 0.003 1 986 123 115 THR HB H 3.98 0.003 1 987 123 115 THR C C 175.495 0.003 1 988 123 115 THR CA C 59.99 0.003 1 989 123 115 THR CB C 71.36 0.003 1 990 123 115 THR N N 115.6 0.003 1 991 124 116 SER H H 8.128 0.003 1 992 124 116 SER HA H 3.959 0.003 1 993 124 116 SER HB2 H 3.673 0.003 2 994 124 116 SER HB3 H 3.673 0.003 2 995 124 116 SER C C 174.774 0.003 1 996 124 116 SER CA C 58.51 0.003 1 997 124 116 SER CB C 64.19 0.003 1 998 124 116 SER N N 116.7 0.003 1 999 125 117 VAL H H 7.653 0.003 1 1000 125 117 VAL HA H 3.073 0.003 1 1001 125 117 VAL HB H 1.223 0.003 1 1002 125 117 VAL HG1 H 0.3382 0.003 2 1003 125 117 VAL C C 177.127 0.003 1 1004 125 117 VAL CA C 65.7 0.003 1 1005 125 117 VAL CB C 31.06 0.003 1 1006 125 117 VAL N N 126.6 0.003 1 1007 126 118 ALA H H 6.187 0.003 1 1008 126 118 ALA HA H 3.607 0.003 1 1009 126 118 ALA HB H 0.589 0.003 1 1010 126 118 ALA C C 177.223 0.003 1 1011 126 118 ALA CA C 54.01 0.003 1 1012 126 118 ALA CB C 18.77 0.003 1 1013 126 118 ALA N N 117.1 0.003 1 1014 127 119 HIS H H 6.881 0.003 1 1015 127 119 HIS HA H 4.871 0.003 1 1016 127 119 HIS HB2 H 2.821 0.003 2 1017 127 119 HIS HB3 H 2.821 0.003 2 1018 127 119 HIS CA C 54.65 0.003 1 1019 127 119 HIS N N 112.1 0.003 1 1020 128 120 PRO HA H 4.837 0.003 1 1021 128 120 PRO HB2 H 1.906 0.003 2 1022 128 120 PRO HB3 H 2.179 0.003 2 1023 128 120 PRO C C 175.967 0.003 1 1024 128 120 PRO CA C 65.57 0.003 1 1025 128 120 PRO CB C 32.14 0.003 1 1026 128 120 PRO CG C 27.61 0.003 1 1027 129 121 ASN H H 8.334 0.003 1 1028 129 121 ASN HA H 4.465 0.003 1 1029 129 121 ASN HB2 H 2.796 0.003 2 1030 129 121 ASN HB3 H 2.642 0.003 2 1031 129 121 ASN C C 173.122 0.003 1 1032 129 121 ASN CA C 53.96 0.003 1 1033 129 121 ASN CB C 38.08 0.003 1 1034 129 121 ASN N N 113.1 0.003 1 1035 130 122 LEU H H 8.375 0.003 1 1036 130 122 LEU HA H 4.651 0.003 1 1037 130 122 LEU HB2 H 1.459 0.003 2 1038 130 122 LEU HB3 H 1.459 0.003 2 1039 130 122 LEU HD1 H 0.559 0.003 2 1040 130 122 LEU HG H 0.777 0.003 1 1041 130 122 LEU C C 174.122 0.003 1 1042 130 122 LEU CA C 54.06 0.003 1 1043 130 122 LEU CB C 45.77 0.003 1 1044 130 122 LEU CG C 26.79 0.003 1 1045 130 122 LEU N N 118.1 0.003 1 1046 131 123 PHE H H 8.81 0.003 1 1047 131 123 PHE HA H 5.548 0.003 1 1048 131 123 PHE HB2 H 2.813 0.003 1 1049 131 123 PHE HB3 H 3.716 0.003 2 1050 131 123 PHE C C 178.336 0.003 1 1051 131 123 PHE CA C 56.54 0.003 1 1052 131 123 PHE CB C 42.49 0.003 1 1053 131 123 PHE N N 117.6 0.003 1 1054 132 124 ILE H H 8.621 0.003 1 1055 132 124 ILE HA H 3.973 0.003 1 1056 132 124 ILE HB H 1.5 0.003 1 1057 132 124 ILE HD1 H 0.3087 0.003 1 1058 132 124 ILE HG12 H 1.232 0.003 1 1059 132 124 ILE HG13 H 1.232 0.003 2 1060 132 124 ILE C C 176.178 0.003 1 1061 132 124 ILE CA C 65.641 0.003 1 1062 132 124 ILE CB C 37.71 0.003 1 1063 132 124 ILE CG2 C 17.28 0.003 1 1064 132 124 ILE N N 119.4 0.003 1 1065 133 125 ALA H H 8.926 0.003 1 1066 133 125 ALA HA H 5.669 0.003 1 1067 133 125 ALA HB H 1.197 0.003 1 1068 133 125 ALA C C 177.101 0.003 1 1069 133 125 ALA CA C 51.77 0.003 1 1070 133 125 ALA CB C 26.35 0.003 1 1071 133 125 ALA N N 127.1 0.003 1 1072 134 126 THR H H 8.937 0.003 1 1073 134 126 THR HA H 4.827 0.003 1 1074 134 126 THR HB H 4.153 0.003 1 1075 134 126 THR C C 173.536 0.003 1 1076 134 126 THR CA C 59.93 0.003 1 1077 134 126 THR CB C 70.55 0.003 1 1078 134 126 THR N N 109.2 0.003 1 1079 135 127 LYS H H 8.152 0.003 1 1080 135 127 LYS HA H 4.374 0.003 1 1081 135 127 LYS HB2 H 1.577 0.003 2 1082 135 127 LYS HB3 H 1.577 0.003 2 1083 135 127 LYS HD2 H 1.825 0.003 2 1084 135 127 LYS HD3 H 1.825 0.003 2 1085 135 127 LYS HE2 H 2.645 0.003 2 1086 135 127 LYS HE3 H 2.645 0.003 2 1087 135 127 LYS HG2 H 1.203 0.003 2 1088 135 127 LYS HG3 H 1.203 0.003 2 1089 135 127 LYS C C 175.545 0.003 1 1090 135 127 LYS CA C 56.29 0.003 1 1091 135 127 LYS CB C 36.97 0.003 1 1092 135 127 LYS CD C 30.17 0.003 1 1093 135 127 LYS CG C 25.83 0.003 1 1094 135 127 LYS N N 117.5 0.003 1 1095 136 128 GLN H H 8.187 0.003 1 1096 136 128 GLN HA H 3.905 0.003 1 1097 136 128 GLN HB2 H 1.81 0.003 2 1098 136 128 GLN HB3 H 1.81 0.003 2 1099 136 128 GLN HG2 H 2.173 0.003 2 1100 136 128 GLN HG3 H 2.173 0.003 2 1101 136 128 GLN C C 175.871 0.003 1 1102 136 128 GLN CA C 57.95 0.003 1 1103 136 128 GLN CB C 29.01 0.003 1 1104 136 128 GLN CG C 34.01 0.003 1 1105 136 128 GLN N N 122.7 0.003 1 1106 137 129 ASP H H 9.043 0.003 1 1107 137 129 ASP HA H 4.235 0.003 1 1108 137 129 ASP HB2 H 2.598 0.003 2 1109 137 129 ASP HB3 H 2.731 0.003 2 1110 137 129 ASP C C 174.314 0.003 1 1111 137 129 ASP CA C 55.92 0.003 1 1112 137 129 ASP CB C 40.07 0.003 1 1113 137 129 ASP N N 120.2 0.003 1 1114 138 130 TYR H H 7.695 0.003 1 1115 138 130 TYR CA C 57.35 0.003 1 1116 138 130 TYR CB C 42.67 0.003 1 1117 138 130 TYR N N 117.0 0.003 1 1118 142 134 LEU HA H 5.557 0.003 1 1119 142 134 LEU HB2 H 1.638 0.003 2 1120 142 134 LEU HB3 H 1.638 0.003 2 1121 142 134 LEU HD1 H 0.751 0.003 1 1122 142 134 LEU HD2 H 0.751 0.003 1 1123 142 134 LEU HG H 1.255 0.003 1 1124 142 134 LEU C C 177.36 0.003 1 1125 142 134 LEU CA C 53.95 0.003 1 1126 142 134 LEU CB C 44.34 0.003 1 1127 142 134 LEU CD1 C 26.87 0.003 1 1128 142 134 LEU CD2 C 26.87 0.003 1 1129 142 134 LEU CG C 24.55 0.003 1 1130 143 135 ALA H H 9.517 0.003 1 1131 143 135 ALA HA H 4.912 0.003 1 1132 143 135 ALA HB H 1.411 0.003 1 1133 143 135 ALA C C 177.76 0.003 1 1134 143 135 ALA CA C 51.8 0.003 1 1135 143 135 ALA CB C 24.98 0.003 1 1136 143 135 ALA N N 121.9 0.003 1 1137 144 136 GLY H H 9.222 0.003 1 1138 144 136 GLY HA2 H 3.827 0.003 1 1139 144 136 GLY HA3 H 4.552 0.003 2 1140 144 136 GLY C C 174.477 0.003 1 1141 144 136 GLY CA C 46.27 0.003 1 1142 144 136 GLY N N 105.2 0.003 1 1143 145 137 GLY H H 7.075 0.003 1 1144 145 137 GLY HA2 H 3.553 0.003 1 1145 145 137 GLY HA3 H 4.308 0.003 2 1146 145 137 GLY CA C 45.64 0.003 1 1147 145 137 GLY N N 103.1 0.003 1 1148 147 139 PRO HA H 4.337 0.003 1 1149 147 139 PRO HB2 H 1.832 0.003 1 1150 147 139 PRO HB3 H 2.153 0.003 2 1151 147 139 PRO HD2 H 3.118 0.003 2 1152 147 139 PRO HD3 H 3.118 0.003 2 1153 147 139 PRO HG2 H 1.562 0.003 2 1154 147 139 PRO HG3 H 1.562 0.003 2 1155 147 139 PRO C C 177.241 0.003 1 1156 147 139 PRO CA C 64.27 0.003 1 1157 147 139 PRO CB C 34.39 0.003 1 1158 147 139 PRO CG C 25.25 0.003 1 1159 148 140 SER H H 7.919 0.003 1 1160 148 140 SER HA H 4.505 0.003 1 1161 148 140 SER HB2 H 3.436 0.003 2 1162 148 140 SER HB3 H 3.436 0.003 2 1163 148 140 SER C C 171.747 0.003 1 1164 148 140 SER CA C 61.33 0.003 1 1165 148 140 SER CB C 63.49 0.003 1 1166 148 140 SER N N 121.9 0.003 1 1167 149 141 ILE H H 9.033 0.003 1 1168 149 141 ILE HA H 3.973 0.003 1 1169 149 141 ILE HB H 2.38 0.003 1 1170 149 141 ILE HG12 H 1.155 0.003 2 1171 149 141 ILE HG13 H 1.155 0.003 2 1172 149 141 ILE HG2 H 0.7158 0.003 1 1173 149 141 ILE C C 175.824 0.003 1 1174 149 141 ILE CA C 60.75 0.003 1 1175 149 141 ILE CB C 35.96 0.003 1 1176 149 141 ILE CG1 C 27.45 0.003 1 1177 149 141 ILE CG2 C 20.3 0.003 1 1178 149 141 ILE N N 123.7 0.003 1 1179 150 142 THR H H 7.692 0.003 1 1180 150 142 THR HA H 4.83 0.003 1 1181 150 142 THR HB H 4.301 0.003 1 1182 150 142 THR C C 171.579 0.003 1 1183 150 142 THR CA C 61.0 0.003 1 1184 150 142 THR CB C 70.64 0.003 1 1185 150 142 THR N N 110.6 0.003 1 1186 151 143 ASP H H 7.608 0.003 1 1187 151 143 ASP HA H 4.593 0.003 1 1188 151 143 ASP HB2 H 1.796 0.003 2 1189 151 143 ASP HB3 H 2.072 0.003 2 1190 151 143 ASP C C 174.718 0.003 1 1191 151 143 ASP CA C 52.3 0.003 1 1192 151 143 ASP CB C 43.51 0.003 1 1193 151 143 ASP N N 114.5 0.003 1 1194 152 144 PHE H H 8.769 0.003 1 1195 152 144 PHE HA H 5.055 0.003 1 1196 152 144 PHE HB2 H 2.447 0.003 2 1197 152 144 PHE HB3 H 2.905 0.003 2 1198 152 144 PHE C C 176.688 0.003 1 1199 152 144 PHE CA C 57.52 0.003 1 1200 152 144 PHE CB C 44.67 0.003 1 1201 152 144 PHE N N 115.3 0.003 1 1202 153 145 GLN H H 10.08 0.003 1 1203 153 145 GLN HA H 4.518 0.003 1 1204 153 145 GLN HB2 H 1.778 0.003 2 1205 153 145 GLN HB3 H 2.155 0.003 2 1206 153 145 GLN HG2 H 2.294 0.003 2 1207 153 145 GLN C C 174.604 0.003 1 1208 153 145 GLN CA C 55.24 0.003 1 1209 153 145 GLN CB C 32.4 0.003 1 1210 153 145 GLN CG C 34.83 0.003 1 1211 153 145 GLN N N 121.2 0.003 1 1212 154 146 ILE H H 8.195 0.003 1 1213 154 146 ILE HA H 4.554 0.003 1 1214 154 146 ILE HB H 1.524 0.003 1 1215 154 146 ILE HG12 H 0.3265 0.003 1 1216 154 146 ILE HG13 H 0.3265 0.003 2 1217 154 146 ILE HG2 H 0.232 0.003 1 1218 154 146 ILE C C 175.521 0.003 1 1219 154 146 ILE CA C 61.67 0.003 1 1220 154 146 ILE CB C 39.64 0.003 1 1221 154 146 ILE CG2 C 17.5 0.003 1 1222 154 146 ILE N N 121.5 0.003 1 1223 155 147 LEU H H 9.238 0.003 1 1224 155 147 LEU HA H 4.692 0.003 1 1225 155 147 LEU HB2 H 1.477 0.003 2 1226 155 147 LEU HB3 H 1.477 0.003 2 1227 155 147 LEU HG H 0.7069 0.003 1 1228 155 147 LEU C C 176.063 0.003 1 1229 155 147 LEU CA C 55.11 0.003 1 1230 155 147 LEU CB C 42.8 0.003 1 1231 155 147 LEU CD1 C 28.69 0.003 1 1232 155 147 LEU CD2 C 28.69 0.003 1 1233 155 147 LEU CG C 25.39 0.003 1 1234 155 147 LEU N N 131.0 0.003 1 1235 156 148 GLU H H 8.598 0.003 1 1236 156 148 GLU HA H 4.453 0.003 1 1237 156 148 GLU HB2 H 1.834 0.003 2 1238 156 148 GLU HB3 H 2.052 0.003 2 1239 156 148 GLU HG2 H 2.167 0.003 2 1240 156 148 GLU HG3 H 2.167 0.003 2 1241 156 148 GLU C C 176.203 0.003 1 1242 156 148 GLU CA C 56.21 0.003 1 1243 156 148 GLU CB C 31.87 0.003 1 1244 156 148 GLU CG C 37.47 0.003 1 1245 156 148 GLU N N 122.1 0.003 1 1246 157 149 ASN H H 9.105 0.003 1 1247 157 149 ASN HA H 4.506 0.003 1 1248 157 149 ASN HB2 H 2.826 0.003 2 1249 157 149 ASN HB3 H 2.826 0.003 2 1250 157 149 ASN C C 176.071 0.003 1 1251 157 149 ASN CA C 54.66 0.003 1 1252 157 149 ASN CB C 39.2 0.003 1 1253 157 149 ASN N N 118.9 0.003 1 1254 158 150 GLN H H 8.535 0.003 1 1255 158 150 GLN HA H 4.138 0.003 1 1256 158 150 GLN HB2 H 1.875 0.003 2 1257 158 150 GLN HB3 H 2.061 0.003 2 1258 158 150 GLN HG2 H 2.229 0.003 2 1259 158 150 GLN HG3 H 2.229 0.003 2 1260 158 150 GLN C C 175.659 0.003 1 1261 158 150 GLN CA C 56.81 0.003 1 1262 158 150 GLN CB C 29.32 0.003 1 1263 158 150 GLN CG C 34.26 0.003 1 1264 158 150 GLN N N 120.0 0.003 1 1265 159 151 ALA H H 8.059 0.003 1 1266 159 151 ALA HA H 4.158 0.003 1 1267 159 151 ALA HB H 1.282 0.003 1 1268 159 151 ALA C C 177.42 0.003 1 1269 159 151 ALA CA C 53.11 0.003 1 1270 159 151 ALA CB C 19.41 0.003 1 1271 159 151 ALA N N 122.7 0.003 1 stop_ save_