data_19782 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shifts assignments of the RodA hydrophobin from the opportunistic pathogen Aspergillus fumigatus ; _BMRB_accession_number 19782 _BMRB_flat_file_name bmr19782.str _Entry_type original _Submission_date 2014-02-10 _Accession_date 2014-02-10 _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 Pille Ariane . . 2 Kwan 'Ann H.' . . 3 Cheung Ivan . . 4 Hampsey Matthew . . 5 Delepierre Muriel . . 6 Sunde Margaret . . 7 Guijarro 'J. Inaki' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 772 "13C chemical shifts" 566 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-18 original BMRB . stop_ _Original_release_date 2014-02-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments of the RodA hydrophobin from the opportunistic pathogen Aspergillus fumigatus ; _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pille Ariane . . 2 Kwan 'Ann H.' . . 3 Cheung Ivan . . 4 Hampsey Matthew . . 5 Aimanianda Vishukumar . . 6 Delepierre Muriel . . 7 Latge Jean-Paul . . 8 Sunde Margaret . . 9 Guijarro 'J. Inaki' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RodA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RodA $RodA stop_ _System_molecular_weight 14426.43 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function ; The RodA hydrophobin of the opportunistic pathogen Aspergillus fumigatus forms an amyloid monolayer with a rodlet morphology that covers the surface of fungal spores. ; 'This rodlet layer bestows hydrophobicity to the spores facilitating their dispersal in the air.' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RodA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RodA _Molecular_mass 14426.43 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function ; The RodA hydrophobin of the opportunistic pathogen Aspergillus fumigatus forms an amyloid monolayer with a rodlet morphology that covers the surface of fungal spores. This rodlet layer bestows hydrophobicity to the spores facilitating their dispersal in the air. ; stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; SLPQHDVNAAGNGVGNKGNA NVRFPVPDDITVKQATEKCG DQAQLSCCNKATYAGDVTDI DEGILAGTLKNLIGGGSGTE GLGLFNQCSKLDLQIPVIGI PIQALVNQKCKQNIACCQNS PSDASGSLIGLGLPCIALGS IL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 LEU 3 3 PRO 4 4 GLN 5 5 HIS 6 6 ASP 7 7 VAL 8 8 ASN 9 9 ALA 10 10 ALA 11 11 GLY 12 12 ASN 13 13 GLY 14 14 VAL 15 15 GLY 16 16 ASN 17 17 LYS 18 18 GLY 19 19 ASN 20 20 ALA 21 21 ASN 22 22 VAL 23 23 ARG 24 24 PHE 25 25 PRO 26 26 VAL 27 27 PRO 28 28 ASP 29 29 ASP 30 30 ILE 31 31 THR 32 32 VAL 33 33 LYS 34 34 GLN 35 35 ALA 36 36 THR 37 37 GLU 38 38 LYS 39 39 CYS 40 40 GLY 41 41 ASP 42 42 GLN 43 43 ALA 44 44 GLN 45 45 LEU 46 46 SER 47 47 CYS 48 48 CYS 49 49 ASN 50 50 LYS 51 51 ALA 52 52 THR 53 53 TYR 54 54 ALA 55 55 GLY 56 56 ASP 57 57 VAL 58 58 THR 59 59 ASP 60 60 ILE 61 61 ASP 62 62 GLU 63 63 GLY 64 64 ILE 65 65 LEU 66 66 ALA 67 67 GLY 68 68 THR 69 69 LEU 70 70 LYS 71 71 ASN 72 72 LEU 73 73 ILE 74 74 GLY 75 75 GLY 76 76 GLY 77 77 SER 78 78 GLY 79 79 THR 80 80 GLU 81 81 GLY 82 82 LEU 83 83 GLY 84 84 LEU 85 85 PHE 86 86 ASN 87 87 GLN 88 88 CYS 89 89 SER 90 90 LYS 91 91 LEU 92 92 ASP 93 93 LEU 94 94 GLN 95 95 ILE 96 96 PRO 97 97 VAL 98 98 ILE 99 99 GLY 100 100 ILE 101 101 PRO 102 102 ILE 103 103 GLN 104 104 ALA 105 105 LEU 106 106 VAL 107 107 ASN 108 108 GLN 109 109 LYS 110 110 CYS 111 111 LYS 112 112 GLN 113 113 ASN 114 114 ILE 115 115 ALA 116 116 CYS 117 117 CYS 118 118 GLN 119 119 ASN 120 120 SER 121 121 PRO 122 122 SER 123 123 ASP 124 124 ALA 125 125 SER 126 126 GLY 127 127 SER 128 128 LEU 129 129 ILE 130 130 GLY 131 131 LEU 132 132 GLY 133 133 LEU 134 134 PRO 135 135 CYS 136 136 ILE 137 137 ALA 138 138 LEU 139 139 GLY 140 140 SER 141 141 ILE 142 142 LEU 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 _Gene_mnemonic $RodA ascomycetes 746128 Eukaryota Fungi Aspergillus fumigatus roda 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 $RodA 'recombinant technology' . Escherichia coli BL21-DE3 pHUE-RodA 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 $RodA 360 uM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model 'Direct Drive' _Field_strength 600 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CC-TOCSY)NNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC-TOCSY)NNH' _Sample_label $sample_1 save_ save_3D_C(CC-TOCSY)NNH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CC-TOCSY)NNH' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 20 . mM pH 4.3 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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 HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HNHA' '3D HCCH-TOCSY' '3D H(CC-TOCSY)NNH' '3D C(CC-TOCSY)NNH' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RodA _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 SER HA H 4.170 . 1 2 1 1 SER HB2 H 3.922 . 1 3 1 1 SER HB3 H 3.982 . 1 4 1 1 SER C C 170.536 . 1 5 1 1 SER CA C 57.308 . 1 6 1 1 SER CB C 63.101 . 1 7 1 1 SER N N 112.694 . 1 8 2 2 LEU H H 8.680 . 1 9 2 2 LEU HA H 4.673 . 1 10 2 2 LEU HB2 H 1.692 . 1 11 2 2 LEU HB3 H 1.581 . 1 12 2 2 LEU HG H 1.696 . 1 13 2 2 LEU HD1 H 0.936 . 2 14 2 2 LEU HD2 H 0.945 . 2 15 2 2 LEU CA C 53.342 . 1 16 2 2 LEU CB C 41.734 . 1 17 2 2 LEU CG C 27.014 . 1 18 2 2 LEU CD1 C 23.279 . 1 19 2 2 LEU CD2 C 25.216 . 1 20 2 2 LEU N N 123.805 . 1 21 3 3 PRO HA H 4.399 . 1 22 3 3 PRO HB2 H 1.833 . 1 23 3 3 PRO HB3 H 2.288 . 1 24 3 3 PRO HG2 H 2.026 . 1 25 3 3 PRO HG3 H 2.043 . 1 26 3 3 PRO HD2 H 3.665 . 1 27 3 3 PRO HD3 H 3.866 . 1 28 3 3 PRO C C 176.760 . 1 29 3 3 PRO CA C 63.142 . 1 30 3 3 PRO CB C 32.062 . 1 31 3 3 PRO CG C 27.482 . 1 32 3 3 PRO CD C 50.616 . 1 33 4 4 GLN H H 8.483 . 1 34 4 4 GLN HA H 4.255 . 1 35 4 4 GLN HB2 H 1.955 . 1 36 4 4 GLN HB3 H 2.034 . 1 37 4 4 GLN HG2 H 2.331 . 1 38 4 4 GLN HG3 H 2.373 . 1 39 4 4 GLN HE21 H 7.567 . 1 40 4 4 GLN HE22 H 6.861 . 1 41 4 4 GLN C C 175.819 . 1 42 4 4 GLN CA C 55.873 . 1 43 4 4 GLN CB C 29.577 . 1 44 4 4 GLN CG C 33.821 . 1 45 4 4 GLN N N 120.676 . 1 46 4 4 GLN NE2 N 112.713 . 1 47 5 5 HIS H H 8.530 . 1 48 5 5 HIS HA H 4.695 . 1 49 5 5 HIS HB2 H 3.246 . 1 50 5 5 HIS HB3 H 3.167 . 1 51 5 5 HIS HD2 H 7.277 . 1 52 5 5 HIS HE1 H 8.591 . 1 53 5 5 HIS C C 173.829 . 1 54 5 5 HIS CA C 55.205 . 1 55 5 5 HIS CB C 29.275 . 1 56 5 5 HIS CD2 C 120.263 . 1 57 5 5 HIS CE1 C 136.494 . 1 58 5 5 HIS N N 119.309 . 1 59 6 6 ASP H H 8.490 . 1 60 6 6 ASP HA H 4.647 . 1 61 6 6 ASP HB2 H 2.624 . 1 62 6 6 ASP HB3 H 2.750 . 1 63 6 6 ASP C C 176.238 . 1 64 6 6 ASP CA C 54.066 . 1 65 6 6 ASP CB C 40.777 . 1 66 6 6 ASP N N 121.859 . 1 67 7 7 VAL H H 8.218 . 1 68 7 7 VAL HA H 4.074 . 1 69 7 7 VAL HB H 2.116 . 1 70 7 7 VAL HG1 H 0.905 . 2 71 7 7 VAL HG2 H 0.949 . 2 72 7 7 VAL C C 176.038 . 1 73 7 7 VAL CA C 62.732 . 1 74 7 7 VAL CB C 32.508 . 1 75 7 7 VAL CG1 C 20.183 . 1 76 7 7 VAL CG2 C 21.062 . 1 77 7 7 VAL N N 120.586 . 1 78 8 8 ASN H H 8.479 . 1 79 8 8 ASN HA H 4.712 . 1 80 8 8 ASN HB2 H 2.845 . 1 81 8 8 ASN HB3 H 2.764 . 1 82 8 8 ASN C C 175.109 . 1 83 8 8 ASN CA C 53.279 . 1 84 8 8 ASN CB C 38.928 . 1 85 8 8 ASN N N 121.314 . 1 86 9 9 ALA H H 8.145 . 1 87 9 9 ALA HA H 4.271 . 1 88 9 9 ALA HB H 1.390 . 1 89 9 9 ALA C C 177.566 . 1 90 9 9 ALA CA C 52.803 . 1 91 9 9 ALA CB C 19.191 . 1 92 9 9 ALA N N 124.730 . 1 93 10 10 ALA H H 8.238 . 1 94 10 10 ALA HA H 4.302 . 1 95 10 10 ALA HB H 1.402 . 1 96 10 10 ALA C C 178.394 . 1 97 10 10 ALA CA C 52.720 . 1 98 10 10 ALA CB C 19.156 . 1 99 10 10 ALA N N 122.648 . 1 100 11 11 GLY H H 8.246 . 1 101 11 11 GLY HA2 H 3.927 . 1 102 11 11 GLY HA3 H 3.976 . 1 103 11 11 GLY C C 174.160 . 1 104 11 11 GLY CA C 45.429 . 1 105 11 11 GLY N N 107.627 . 1 106 12 12 ASN H H 8.301 . 1 107 12 12 ASN HA H 4.736 . 1 108 12 12 ASN HB2 H 2.882 . 1 109 12 12 ASN HB3 H 2.771 . 1 110 12 12 ASN C C 175.894 . 1 111 12 12 ASN CA C 53.259 . 1 112 12 12 ASN CB C 38.969 . 1 113 12 12 ASN N N 118.494 . 1 114 13 13 GLY H H 8.441 . 1 115 13 13 GLY HA2 H 3.947 . 1 116 13 13 GLY HA3 H 4.008 . 1 117 13 13 GLY C C 174.329 . 1 118 13 13 GLY CA C 45.493 . 1 119 13 13 GLY N N 109.282 . 1 120 14 14 VAL H H 7.991 . 1 121 14 14 VAL HA H 4.111 . 1 122 14 14 VAL HB H 2.116 . 1 123 14 14 VAL HG1 H 0.937 . 2 124 14 14 VAL HG2 H 0.920 . 2 125 14 14 VAL C C 176.902 . 1 126 14 14 VAL CA C 62.585 . 1 127 14 14 VAL CB C 32.528 . 1 128 14 14 VAL CG1 C 21.106 . 1 129 14 14 VAL CG2 C 20.490 . 1 130 14 14 VAL N N 118.977 . 1 131 15 15 GLY H H 8.505 . 1 132 15 15 GLY HA2 H 3.909 . 1 133 15 15 GLY HA3 H 3.980 . 1 134 15 15 GLY C C 174.024 . 1 135 15 15 GLY CA C 45.408 . 1 136 15 15 GLY N N 111.927 . 1 137 16 16 ASN H H 8.295 . 1 138 16 16 ASN HA H 4.707 . 1 139 16 16 ASN HB2 H 2.831 . 1 140 16 16 ASN HB3 H 2.776 . 1 141 16 16 ASN C C 175.488 . 1 142 16 16 ASN CA C 53.312 . 1 143 16 16 ASN CB C 38.891 . 1 144 16 16 ASN N N 118.941 . 1 145 17 17 LYS H H 8.382 . 1 146 17 17 LYS HA H 4.316 . 1 147 17 17 LYS HB2 H 1.892 . 1 148 17 17 LYS HB3 H 1.769 . 1 149 17 17 LYS HG2 H 1.415 . 1 150 17 17 LYS HG3 H 1.464 . 1 151 17 17 LYS HD2 H 1.615 . 2 152 17 17 LYS HD3 H 1.615 . 2 153 17 17 LYS HE2 H 3.007 . 1 154 17 17 LYS HE3 H 3.017 . 1 155 17 17 LYS C C 177.097 . 1 156 17 17 LYS CA C 56.508 . 1 157 17 17 LYS CB C 32.773 . 1 158 17 17 LYS CG C 24.771 . 1 159 17 17 LYS CD C 29.018 . 1 160 17 17 LYS CE C 42.058 . 1 161 17 17 LYS N N 121.487 . 1 162 18 18 GLY H H 8.363 . 1 163 18 18 GLY HA2 H 3.922 . 1 164 18 18 GLY HA3 H 3.959 . 1 165 18 18 GLY C C 173.720 . 1 166 18 18 GLY CA C 45.291 . 1 167 18 18 GLY N N 109.186 . 1 168 19 19 ASN H H 8.271 . 1 169 19 19 ASN HA H 4.723 . 1 170 19 19 ASN HB2 H 2.807 . 1 171 19 19 ASN HB3 H 2.862 . 1 172 19 19 ASN C C 175.233 . 1 173 19 19 ASN CA C 52.913 . 1 174 19 19 ASN CB C 39.107 . 1 175 19 19 ASN N N 118.754 . 1 176 20 20 ALA H H 8.423 . 1 177 20 20 ALA HA H 4.278 . 1 178 20 20 ALA HB H 1.407 . 1 179 20 20 ALA C C 177.619 . 1 180 20 20 ALA CA C 53.004 . 1 181 20 20 ALA CB C 19.138 . 1 182 20 20 ALA N N 124.486 . 1 183 21 21 ASN H H 8.426 . 1 184 21 21 ASN HA H 4.679 . 1 185 21 21 ASN HB2 H 2.786 . 1 186 21 21 ASN HB3 H 2.880 . 1 187 21 21 ASN HD21 H 7.630 . 1 188 21 21 ASN HD22 H 7.021 . 1 189 21 21 ASN C C 174.776 . 1 190 21 21 ASN CA C 53.897 . 1 191 21 21 ASN CB C 39.157 . 1 192 21 21 ASN N N 116.935 . 1 193 21 21 ASN ND2 N 113.424 . 1 194 22 22 VAL H H 7.789 . 1 195 22 22 VAL HA H 4.302 . 1 196 22 22 VAL HB H 2.040 . 1 197 22 22 VAL HG1 H 0.768 . 2 198 22 22 VAL HG2 H 0.779 . 2 199 22 22 VAL C C 175.196 . 1 200 22 22 VAL CA C 61.234 . 1 201 22 22 VAL CB C 32.909 . 1 202 22 22 VAL CG1 C 20.034 . 1 203 22 22 VAL CG2 C 20.961 . 1 204 22 22 VAL N N 119.995 . 1 205 23 23 ARG H H 8.942 . 1 206 23 23 ARG HA H 3.800 . 1 207 23 23 ARG HB2 H 1.702 . 1 208 23 23 ARG HB3 H 1.316 . 1 209 23 23 ARG HG2 H 1.116 . 1 210 23 23 ARG HG3 H 0.367 . 1 211 23 23 ARG HD2 H 2.189 . 1 212 23 23 ARG HD3 H 2.538 . 1 213 23 23 ARG HE H 6.926 . 1 214 23 23 ARG C C 175.601 . 1 215 23 23 ARG CA C 58.474 . 1 216 23 23 ARG CB C 31.018 . 1 217 23 23 ARG CG C 26.237 . 1 218 23 23 ARG CD C 42.822 . 1 219 23 23 ARG CZ C 159.431 . 1 220 23 23 ARG N N 126.921 . 1 221 23 23 ARG NE N 83.922 . 1 222 24 24 PHE H H 8.248 . 1 223 24 24 PHE HA H 4.994 . 1 224 24 24 PHE HB2 H 2.600 . 1 225 24 24 PHE HB3 H 3.054 . 1 226 24 24 PHE HD1 H 7.133 . 3 227 24 24 PHE HD2 H 7.133 . 3 228 24 24 PHE HE1 H 6.908 . 3 229 24 24 PHE HE2 H 6.908 . 3 230 24 24 PHE CA C 55.000 . 1 231 24 24 PHE CB C 39.590 . 1 232 24 24 PHE CD1 C 131.391 . 3 233 24 24 PHE CD2 C 131.391 . 3 234 24 24 PHE CE1 C 132.509 . 3 235 24 24 PHE CE2 C 132.509 . 3 236 24 24 PHE N N 113.442 . 1 237 25 25 PRO HA H 4.387 . 1 238 25 25 PRO HB2 H 1.904 . 1 239 25 25 PRO HB3 H 2.261 . 1 240 25 25 PRO HG2 H 2.036 . 2 241 25 25 PRO HG3 H 2.036 . 2 242 25 25 PRO HD2 H 3.667 . 1 243 25 25 PRO HD3 H 3.398 . 1 244 25 25 PRO C C 175.894 . 1 245 25 25 PRO CA C 62.993 . 1 246 25 25 PRO CB C 32.320 . 1 247 25 25 PRO CG C 27.202 . 1 248 25 25 PRO CD C 50.809 . 1 249 26 26 VAL H H 9.026 . 1 250 26 26 VAL HA H 4.500 . 1 251 26 26 VAL HB H 2.065 . 1 252 26 26 VAL HG1 H 0.991 . 2 253 26 26 VAL HG2 H 1.002 . 2 254 26 26 VAL CA C 59.084 . 1 255 26 26 VAL CB C 33.888 . 1 256 26 26 VAL CG1 C 20.882 . 1 257 26 26 VAL CG2 C 23.680 . 1 258 26 26 VAL N N 123.061 . 1 259 27 27 PRO HA H 4.442 . 1 260 27 27 PRO HB2 H 2.024 . 1 261 27 27 PRO HB3 H 2.494 . 1 262 27 27 PRO HG2 H 2.493 . 2 263 27 27 PRO HG3 H 2.493 . 2 264 27 27 PRO HD2 H 3.428 . 1 265 27 27 PRO HD3 H 4.035 . 1 266 27 27 PRO C C 177.071 . 1 267 27 27 PRO CA C 63.663 . 1 268 27 27 PRO CB C 32.902 . 1 269 27 27 PRO CG C 27.637 . 1 270 27 27 PRO CD C 51.876 . 1 271 28 28 ASP H H 8.571 . 1 272 28 28 ASP HA H 4.457 . 1 273 28 28 ASP HB2 H 2.620 . 1 274 28 28 ASP HB3 H 2.813 . 1 275 28 28 ASP C C 176.148 . 1 276 28 28 ASP CA C 56.563 . 1 277 28 28 ASP CB C 40.800 . 1 278 28 28 ASP N N 119.471 . 1 279 29 29 ASP H H 8.194 . 1 280 29 29 ASP HA H 4.592 . 1 281 29 29 ASP HB2 H 2.655 . 1 282 29 29 ASP HB3 H 2.949 . 1 283 29 29 ASP C C 175.756 . 1 284 29 29 ASP CA C 53.096 . 1 285 29 29 ASP CB C 39.354 . 1 286 29 29 ASP N N 113.686 . 1 287 30 30 ILE H H 7.074 . 1 288 30 30 ILE HA H 4.467 . 1 289 30 30 ILE HB H 2.004 . 1 290 30 30 ILE HG12 H 1.214 . 1 291 30 30 ILE HG13 H 1.716 . 1 292 30 30 ILE HG2 H 0.872 . 1 293 30 30 ILE HD1 H 0.740 . 1 294 30 30 ILE C C 177.714 . 1 295 30 30 ILE CA C 58.874 . 1 296 30 30 ILE CB C 35.364 . 1 297 30 30 ILE CG1 C 27.545 . 1 298 30 30 ILE CG2 C 17.221 . 1 299 30 30 ILE CD1 C 8.708 . 1 300 30 30 ILE N N 118.723 . 1 301 31 31 THR H H 8.911 . 1 302 31 31 THR HA H 5.042 . 1 303 31 31 THR HB H 4.935 . 1 304 31 31 THR HG1 H 5.973 . 1 305 31 31 THR HG2 H 1.306 . 1 306 31 31 THR C C 175.594 . 1 307 31 31 THR CA C 60.639 . 1 308 31 31 THR CB C 71.229 . 1 309 31 31 THR CG2 C 21.795 . 1 310 31 31 THR N N 121.735 . 1 311 32 32 VAL H H 8.831 . 1 312 32 32 VAL HA H 3.346 . 1 313 32 32 VAL HB H 2.081 . 1 314 32 32 VAL HG1 H 0.797 . 2 315 32 32 VAL HG2 H 0.787 . 2 316 32 32 VAL C C 178.815 . 1 317 32 32 VAL CA C 67.482 . 1 318 32 32 VAL CB C 31.160 . 1 319 32 32 VAL CG1 C 21.536 . 1 320 32 32 VAL CG2 C 22.849 . 1 321 32 32 VAL N N 121.529 . 1 322 33 33 LYS H H 8.860 . 1 323 33 33 LYS HA H 3.955 . 1 324 33 33 LYS HB2 H 1.893 . 1 325 33 33 LYS HB3 H 1.773 . 1 326 33 33 LYS HG2 H 1.400 . 2 327 33 33 LYS HG3 H 1.400 . 2 328 33 33 LYS HD2 H 1.825 . 2 329 33 33 LYS HD3 H 1.825 . 2 330 33 33 LYS HE2 H 2.992 . 2 331 33 33 LYS HE3 H 2.992 . 2 332 33 33 LYS C C 177.943 . 1 333 33 33 LYS CA C 60.429 . 1 334 33 33 LYS CB C 32.689 . 1 335 33 33 LYS CG C 24.583 . 1 336 33 33 LYS CE C 42.093 . 1 337 33 33 LYS N N 123.403 . 1 338 34 34 GLN H H 8.105 . 1 339 34 34 GLN HA H 4.044 . 1 340 34 34 GLN HB2 H 1.924 . 1 341 34 34 GLN HB3 H 2.341 . 1 342 34 34 GLN HG2 H 2.402 . 2 343 34 34 GLN HG3 H 2.402 . 2 344 34 34 GLN HE21 H 6.807 . 1 345 34 34 GLN HE22 H 7.434 . 1 346 34 34 GLN C C 179.387 . 1 347 34 34 GLN CA C 58.654 . 1 348 34 34 GLN CB C 29.213 . 1 349 34 34 GLN CG C 34.314 . 1 350 34 34 GLN N N 119.389 . 1 351 34 34 GLN NE2 N 109.970 . 1 352 35 35 ALA H H 8.508 . 1 353 35 35 ALA HA H 3.857 . 1 354 35 35 ALA HB H 1.409 . 1 355 35 35 ALA C C 177.518 . 1 356 35 35 ALA CA C 55.156 . 1 357 35 35 ALA CB C 20.412 . 1 358 35 35 ALA N N 121.720 . 1 359 36 36 THR H H 8.547 . 1 360 36 36 THR HA H 3.711 . 1 361 36 36 THR HB H 4.425 . 1 362 36 36 THR HG2 H 1.289 . 1 363 36 36 THR C C 177.576 . 1 364 36 36 THR CA C 67.411 . 1 365 36 36 THR CB C 69.019 . 1 366 36 36 THR CG2 C 21.116 . 1 367 36 36 THR N N 114.271 . 1 368 37 37 GLU H H 8.036 . 1 369 37 37 GLU HA H 4.040 . 1 370 37 37 GLU HB2 H 2.203 . 1 371 37 37 GLU HB3 H 2.081 . 1 372 37 37 GLU HG2 H 2.342 . 1 373 37 37 GLU HG3 H 2.551 . 1 374 37 37 GLU C C 178.945 . 1 375 37 37 GLU CA C 59.051 . 1 376 37 37 GLU CB C 28.617 . 1 377 37 37 GLU CG C 35.499 . 1 378 37 37 GLU N N 122.096 . 1 379 38 38 LYS H H 7.857 . 1 380 38 38 LYS HA H 4.120 . 1 381 38 38 LYS HB2 H 1.801 . 1 382 38 38 LYS HB3 H 1.962 . 1 383 38 38 LYS HG2 H 1.308 . 2 384 38 38 LYS HG3 H 1.308 . 2 385 38 38 LYS HD2 H 1.488 . 2 386 38 38 LYS HD3 H 1.488 . 2 387 38 38 LYS HE2 H 2.940 . 2 388 38 38 LYS HE3 H 2.940 . 2 389 38 38 LYS C C 177.839 . 1 390 38 38 LYS CA C 57.111 . 1 391 38 38 LYS CB C 31.050 . 1 392 38 38 LYS CG C 24.308 . 1 393 38 38 LYS CD C 27.781 . 1 394 38 38 LYS CE C 42.255 . 1 395 38 38 LYS N N 119.360 . 1 396 39 39 CYS H H 7.677 . 1 397 39 39 CYS HA H 4.607 . 1 398 39 39 CYS HB2 H 2.951 . 1 399 39 39 CYS HB3 H 2.958 . 1 400 39 39 CYS C C 175.556 . 1 401 39 39 CYS CA C 53.662 . 1 402 39 39 CYS CB C 33.918 . 1 403 39 39 CYS N N 112.653 . 1 404 40 40 GLY H H 7.354 . 1 405 40 40 GLY HA2 H 4.107 . 1 406 40 40 GLY HA3 H 3.890 . 1 407 40 40 GLY C C 173.569 . 1 408 40 40 GLY CA C 45.227 . 1 409 40 40 GLY N N 103.227 . 1 410 41 41 ASP H H 8.316 . 1 411 41 41 ASP HA H 4.613 . 1 412 41 41 ASP HB2 H 2.838 . 1 413 41 41 ASP HB3 H 2.771 . 1 414 41 41 ASP C C 177.413 . 1 415 41 41 ASP CA C 55.007 . 1 416 41 41 ASP CB C 40.279 . 1 417 41 41 ASP N N 115.011 . 1 418 42 42 GLN H H 8.582 . 1 419 42 42 GLN HA H 4.550 . 1 420 42 42 GLN HB2 H 1.927 . 1 421 42 42 GLN HB3 H 2.412 . 1 422 42 42 GLN HG2 H 2.342 . 1 423 42 42 GLN HG3 H 2.368 . 1 424 42 42 GLN HE21 H 6.801 . 1 425 42 42 GLN HE22 H 7.531 . 1 426 42 42 GLN C C 174.239 . 1 427 42 42 GLN CA C 55.181 . 1 428 42 42 GLN CB C 29.311 . 1 429 42 42 GLN CG C 34.141 . 1 430 42 42 GLN N N 117.751 . 1 431 42 42 GLN NE2 N 112.655 . 1 432 43 43 ALA H H 7.343 . 1 433 43 43 ALA HA H 4.608 . 1 434 43 43 ALA HB H 1.095 . 1 435 43 43 ALA C C 174.211 . 1 436 43 43 ALA CA C 50.833 . 1 437 43 43 ALA CB C 21.886 . 1 438 43 43 ALA N N 120.739 . 1 439 44 44 GLN H H 9.097 . 1 440 44 44 GLN HA H 4.771 . 1 441 44 44 GLN HB2 H 1.754 . 1 442 44 44 GLN HB3 H 1.972 . 1 443 44 44 GLN HG2 H 2.019 . 1 444 44 44 GLN HG3 H 2.147 . 1 445 44 44 GLN HE21 H 7.037 . 1 446 44 44 GLN HE22 H 7.780 . 1 447 44 44 GLN C C 177.685 . 1 448 44 44 GLN CA C 53.042 . 1 449 44 44 GLN CB C 32.104 . 1 450 44 44 GLN CG C 34.083 . 1 451 44 44 GLN N N 117.037 . 1 452 44 44 GLN NE2 N 114.186 . 1 453 45 45 LEU H H 10.206 . 1 454 45 45 LEU HA H 4.833 . 1 455 45 45 LEU HB2 H 2.196 . 1 456 45 45 LEU HB3 H 1.246 . 1 457 45 45 LEU HG H 1.591 . 1 458 45 45 LEU HD1 H 0.866 . 2 459 45 45 LEU HD2 H 0.876 . 2 460 45 45 LEU C C 176.492 . 1 461 45 45 LEU CA C 57.003 . 1 462 45 45 LEU CB C 41.158 . 1 463 45 45 LEU CG C 27.829 . 1 464 45 45 LEU CD1 C 24.278 . 1 465 45 45 LEU CD2 C 27.812 . 1 466 45 45 LEU N N 135.978 . 1 467 46 46 SER H H 9.698 . 1 468 46 46 SER HA H 5.361 . 1 469 46 46 SER HB2 H 3.513 . 1 470 46 46 SER HB3 H 3.494 . 1 471 46 46 SER C C 170.267 . 1 472 46 46 SER CA C 58.264 . 1 473 46 46 SER CB C 67.935 . 1 474 46 46 SER N N 124.396 . 1 475 47 47 CYS H H 9.327 . 1 476 47 47 CYS HA H 5.474 . 1 477 47 47 CYS HB2 H 3.304 . 1 478 47 47 CYS HB3 H 2.552 . 1 479 47 47 CYS C C 175.255 . 1 480 47 47 CYS CA C 53.491 . 1 481 47 47 CYS CB C 40.755 . 1 482 47 47 CYS N N 123.705 . 1 483 48 48 CYS H H 9.881 . 1 484 48 48 CYS HA H 5.807 . 1 485 48 48 CYS HB2 H 3.024 . 1 486 48 48 CYS HB3 H 3.351 . 1 487 48 48 CYS C C 175.430 . 1 488 48 48 CYS CA C 55.177 . 1 489 48 48 CYS CB C 49.649 . 1 490 48 48 CYS N N 126.812 . 1 491 49 49 ASN H H 8.604 . 1 492 49 49 ASN HA H 4.687 . 1 493 49 49 ASN HB2 H 3.046 . 1 494 49 49 ASN HB3 H 3.007 . 1 495 49 49 ASN HD21 H 7.513 . 1 496 49 49 ASN HD22 H 6.882 . 1 497 49 49 ASN C C 174.457 . 1 498 49 49 ASN CA C 55.829 . 1 499 49 49 ASN CB C 39.280 . 1 500 49 49 ASN N N 125.419 . 1 501 49 49 ASN ND2 N 110.856 . 1 502 50 50 LYS H H 7.959 . 1 503 50 50 LYS HA H 4.695 . 1 504 50 50 LYS HB2 H 1.550 . 1 505 50 50 LYS HB3 H 1.721 . 1 506 50 50 LYS HG2 H 1.296 . 1 507 50 50 LYS HG3 H 1.348 . 1 508 50 50 LYS HD2 H 1.606 . 2 509 50 50 LYS HD3 H 1.606 . 2 510 50 50 LYS HE2 H 2.895 . 2 511 50 50 LYS HE3 H 2.895 . 2 512 50 50 LYS C C 173.700 . 1 513 50 50 LYS CA C 54.753 . 1 514 50 50 LYS CB C 36.290 . 1 515 50 50 LYS CG C 24.739 . 1 516 50 50 LYS CD C 29.097 . 1 517 50 50 LYS CE C 41.998 . 1 518 50 50 LYS N N 116.790 . 1 519 51 51 ALA H H 8.291 . 1 520 51 51 ALA HA H 3.896 . 1 521 51 51 ALA HB H 0.283 . 1 522 51 51 ALA C C 175.751 . 1 523 51 51 ALA CA C 51.661 . 1 524 51 51 ALA CB C 23.795 . 1 525 51 51 ALA N N 125.285 . 1 526 52 52 THR H H 7.522 . 1 527 52 52 THR HA H 4.182 . 1 528 52 52 THR HB H 3.869 . 1 529 52 52 THR HG2 H 1.139 . 1 530 52 52 THR C C 173.150 . 1 531 52 52 THR CA C 61.630 . 1 532 52 52 THR CB C 70.221 . 1 533 52 52 THR CG2 C 21.616 . 1 534 52 52 THR N N 119.293 . 1 535 53 53 TYR H H 8.992 . 1 536 53 53 TYR HA H 4.576 . 1 537 53 53 TYR HB2 H 3.396 . 1 538 53 53 TYR HB3 H 2.746 . 1 539 53 53 TYR HD1 H 7.131 . 3 540 53 53 TYR HD2 H 7.131 . 3 541 53 53 TYR HE1 H 6.799 . 3 542 53 53 TYR HE2 H 6.799 . 3 543 53 53 TYR C C 176.744 . 1 544 53 53 TYR CA C 59.762 . 1 545 53 53 TYR CB C 38.857 . 1 546 53 53 TYR CD1 C 133.284 . 3 547 53 53 TYR CD2 C 133.284 . 3 548 53 53 TYR CE1 C 117.886 . 3 549 53 53 TYR CE2 C 117.886 . 3 550 53 53 TYR N N 125.917 . 1 551 54 54 ALA H H 8.793 . 1 552 54 54 ALA HA H 4.029 . 1 553 54 54 ALA HB H 1.397 . 1 554 54 54 ALA C C 178.614 . 1 555 54 54 ALA CA C 54.725 . 1 556 54 54 ALA CB C 18.539 . 1 557 54 54 ALA N N 124.229 . 1 558 55 55 GLY H H 8.803 . 1 559 55 55 GLY HA2 H 3.945 . 1 560 55 55 GLY HA3 H 4.052 . 1 561 55 55 GLY C C 174.636 . 1 562 55 55 GLY CA C 45.940 . 1 563 55 55 GLY N N 104.812 . 1 564 56 56 ASP H H 8.034 . 1 565 56 56 ASP HA H 4.786 . 1 566 56 56 ASP HB2 H 2.917 . 1 567 56 56 ASP HB3 H 2.948 . 1 568 56 56 ASP C C 176.195 . 1 569 56 56 ASP CA C 54.685 . 1 570 56 56 ASP CB C 41.611 . 1 571 56 56 ASP N N 118.653 . 1 572 57 57 VAL H H 7.562 . 1 573 57 57 VAL HA H 4.444 . 1 574 57 57 VAL HB H 2.240 . 1 575 57 57 VAL HG1 H 0.927 . 2 576 57 57 VAL HG2 H 0.893 . 2 577 57 57 VAL C C 175.902 . 1 578 57 57 VAL CA C 61.191 . 1 579 57 57 VAL CB C 33.544 . 1 580 57 57 VAL CG1 C 21.900 . 1 581 57 57 VAL CG2 C 19.914 . 1 582 57 57 VAL N N 116.955 . 1 583 58 58 THR H H 8.281 . 1 584 58 58 THR HA H 4.399 . 1 585 58 58 THR HB H 4.342 . 1 586 58 58 THR HG2 H 1.248 . 1 587 58 58 THR C C 175.224 . 1 588 58 58 THR CA C 62.589 . 1 589 58 58 THR CB C 69.621 . 1 590 58 58 THR CG2 C 21.697 . 1 591 58 58 THR N N 114.058 . 1 592 59 59 ASP H H 8.263 . 1 593 59 59 ASP HA H 4.618 . 1 594 59 59 ASP HB2 H 2.810 . 1 595 59 59 ASP HB3 H 2.792 . 1 596 59 59 ASP C C 175.783 . 1 597 59 59 ASP CA C 54.382 . 1 598 59 59 ASP CB C 39.398 . 1 599 59 59 ASP N N 119.023 . 1 600 60 60 ILE H H 7.684 . 1 601 60 60 ILE HA H 4.136 . 1 602 60 60 ILE HB H 1.759 . 1 603 60 60 ILE HG12 H 1.060 . 1 604 60 60 ILE HG13 H 1.487 . 1 605 60 60 ILE HG2 H 0.807 . 1 606 60 60 ILE HD1 H 0.778 . 1 607 60 60 ILE C C 175.315 . 1 608 60 60 ILE CA C 61.301 . 1 609 60 60 ILE CB C 39.590 . 1 610 60 60 ILE CG1 C 27.545 . 1 611 60 60 ILE CG2 C 17.478 . 1 612 60 60 ILE CD1 C 13.565 . 1 613 60 60 ILE N N 118.714 . 1 614 61 61 ASP H H 8.270 . 1 615 61 61 ASP HA H 4.604 . 1 616 61 61 ASP HB2 H 2.710 . 1 617 61 61 ASP HB3 H 2.810 . 1 618 61 61 ASP C C 176.365 . 1 619 61 61 ASP CA C 54.105 . 1 620 61 61 ASP CB C 40.303 . 1 621 61 61 ASP N N 124.107 . 1 622 62 62 GLU H H 8.707 . 1 623 62 62 GLU HA H 3.911 . 1 624 62 62 GLU HB2 H 2.093 . 1 625 62 62 GLU HB3 H 2.130 . 1 626 62 62 GLU HG2 H 2.371 . 1 627 62 62 GLU HG3 H 2.512 . 1 628 62 62 GLU C C 177.498 . 1 629 62 62 GLU CA C 58.795 . 1 630 62 62 GLU CB C 28.125 . 1 631 62 62 GLU CG C 33.587 . 1 632 62 62 GLU N N 123.860 . 1 633 63 63 GLY H H 8.475 . 1 634 63 63 GLY HA2 H 3.942 . 1 635 63 63 GLY HA3 H 3.840 . 1 636 63 63 GLY C C 176.672 . 1 637 63 63 GLY CA C 46.725 . 1 638 63 63 GLY N N 107.458 . 1 639 64 64 ILE H H 7.668 . 1 640 64 64 ILE HA H 3.980 . 1 641 64 64 ILE HB H 1.938 . 1 642 64 64 ILE HG12 H 1.579 . 1 643 64 64 ILE HG13 H 1.234 . 1 644 64 64 ILE HG2 H 0.916 . 1 645 64 64 ILE HD1 H 0.872 . 1 646 64 64 ILE C C 178.172 . 1 647 64 64 ILE CA C 63.217 . 1 648 64 64 ILE CB C 38.007 . 1 649 64 64 ILE CG1 C 28.215 . 1 650 64 64 ILE CG2 C 17.418 . 1 651 64 64 ILE CD1 C 12.952 . 1 652 64 64 ILE N N 121.066 . 1 653 65 65 LEU H H 7.760 . 1 654 65 65 LEU HA H 4.101 . 1 655 65 65 LEU HB2 H 1.720 . 1 656 65 65 LEU HB3 H 1.616 . 1 657 65 65 LEU HG H 1.661 . 1 658 65 65 LEU HD1 H 0.856 . 2 659 65 65 LEU HD2 H 0.808 . 2 660 65 65 LEU C C 177.562 . 1 661 65 65 LEU CA C 56.993 . 1 662 65 65 LEU CB C 42.132 . 1 663 65 65 LEU CG C 27.224 . 1 664 65 65 LEU CD1 C 25.025 . 1 665 65 65 LEU CD2 C 24.300 . 1 666 65 65 LEU N N 121.098 . 1 667 66 66 ALA H H 8.226 . 1 668 66 66 ALA HA H 4.011 . 1 669 66 66 ALA HB H 1.397 . 1 670 66 66 ALA C C 179.179 . 1 671 66 66 ALA CA C 54.182 . 1 672 66 66 ALA CB C 18.539 . 1 673 66 66 ALA N N 120.047 . 1 674 67 67 GLY H H 7.894 . 1 675 67 67 GLY HA2 H 4.008 . 1 676 67 67 GLY HA3 H 3.925 . 1 677 67 67 GLY C C 176.171 . 1 678 67 67 GLY CA C 46.660 . 1 679 67 67 GLY N N 104.813 . 1 680 68 68 THR H H 8.068 . 1 681 68 68 THR HA H 4.205 . 1 682 68 68 THR HB H 4.317 . 1 683 68 68 THR HG2 H 1.298 . 1 684 68 68 THR C C 175.974 . 1 685 68 68 THR CA C 64.353 . 1 686 68 68 THR CB C 69.180 . 1 687 68 68 THR CG2 C 21.911 . 1 688 68 68 THR N N 115.109 . 1 689 69 69 LEU H H 7.941 . 1 690 69 69 LEU HA H 4.375 . 1 691 69 69 LEU HB2 H 1.632 . 1 692 69 69 LEU HB3 H 1.579 . 1 693 69 69 LEU HG H 1.559 . 1 694 69 69 LEU HD1 H 0.757 . 2 695 69 69 LEU HD2 H 0.749 . 2 696 69 69 LEU C C 177.686 . 1 697 69 69 LEU CA C 55.533 . 1 698 69 69 LEU CB C 41.482 . 1 699 69 69 LEU CG C 26.845 . 1 700 69 69 LEU CD1 C 23.176 . 1 701 69 69 LEU CD2 C 25.616 . 1 702 69 69 LEU N N 121.564 . 1 703 70 70 LYS H H 7.440 . 1 704 70 70 LYS HA H 3.912 . 1 705 70 70 LYS HB2 H 1.901 . 1 706 70 70 LYS HB3 H 1.897 . 1 707 70 70 LYS HG2 H 1.431 . 2 708 70 70 LYS HG3 H 1.431 . 2 709 70 70 LYS HD2 H 1.712 . 2 710 70 70 LYS HD3 H 1.712 . 2 711 70 70 LYS HE2 H 2.992 . 2 712 70 70 LYS HE3 H 2.992 . 2 713 70 70 LYS C C 177.863 . 1 714 70 70 LYS CA C 59.371 . 1 715 70 70 LYS CB C 32.273 . 1 716 70 70 LYS CG C 24.437 . 1 717 70 70 LYS CD C 29.372 . 1 718 70 70 LYS CE C 42.202 . 1 719 70 70 LYS N N 117.832 . 1 720 71 71 ASN H H 8.294 . 1 721 71 71 ASN HA H 4.545 . 1 722 71 71 ASN HB2 H 2.827 . 1 723 71 71 ASN HB3 H 2.865 . 1 724 71 71 ASN HD21 H 6.963 . 1 725 71 71 ASN HD22 H 7.667 . 1 726 71 71 ASN C C 176.297 . 1 727 71 71 ASN CA C 54.988 . 1 728 71 71 ASN CB C 37.857 . 1 729 71 71 ASN N N 116.109 . 1 730 71 71 ASN ND2 N 112.836 . 1 731 72 72 LEU H H 7.852 . 1 732 72 72 LEU HA H 4.351 . 1 733 72 72 LEU HB2 H 1.743 . 1 734 72 72 LEU HB3 H 1.536 . 1 735 72 72 LEU HG H 1.565 . 1 736 72 72 LEU HD1 H 0.843 . 2 737 72 72 LEU HD2 H 0.837 . 2 738 72 72 LEU C C 177.297 . 1 739 72 72 LEU CA C 55.792 . 1 740 72 72 LEU CB C 43.047 . 1 741 72 72 LEU CG C 27.155 . 1 742 72 72 LEU CD1 C 25.779 . 1 743 72 72 LEU CD2 C 23.108 . 1 744 72 72 LEU N N 118.957 . 1 745 73 73 ILE H H 7.321 . 1 746 73 73 ILE HA H 4.068 . 1 747 73 73 ILE HB H 1.912 . 1 748 73 73 ILE HG12 H 1.474 . 1 749 73 73 ILE HG13 H 1.055 . 1 750 73 73 ILE HG2 H 0.817 . 1 751 73 73 ILE HD1 H 0.788 . 1 752 73 73 ILE C C 176.655 . 1 753 73 73 ILE CA C 61.797 . 1 754 73 73 ILE CB C 38.554 . 1 755 73 73 ILE CG1 C 27.375 . 1 756 73 73 ILE CG2 C 17.765 . 1 757 73 73 ILE CD1 C 13.973 . 1 758 73 73 ILE N N 116.130 . 1 759 74 74 GLY H H 8.188 . 1 760 74 74 GLY HA2 H 3.934 . 1 761 74 74 GLY HA3 H 4.092 . 1 762 74 74 GLY C C 175.204 . 1 763 74 74 GLY CA C 45.644 . 1 764 74 74 GLY N N 111.243 . 1 765 75 75 GLY H H 8.389 . 1 766 75 75 GLY HA2 H 3.929 . 1 767 75 75 GLY HA3 H 4.085 . 1 768 75 75 GLY C C 177.133 . 1 769 75 75 GLY CA C 45.619 . 1 770 75 75 GLY N N 108.912 . 1 771 76 76 GLY H H 8.393 . 1 772 76 76 GLY HA2 H 3.977 . 1 773 76 76 GLY HA3 H 4.071 . 1 774 76 76 GLY C C 174.870 . 1 775 76 76 GLY CA C 45.615 . 1 776 76 76 GLY N N 109.161 . 1 777 77 77 SER H H 8.221 . 1 778 77 77 SER HA H 4.563 . 1 779 77 77 SER HB2 H 3.988 . 2 780 77 77 SER HB3 H 3.988 . 2 781 77 77 SER C C 174.843 . 1 782 77 77 SER CA C 58.705 . 1 783 77 77 SER CB C 63.847 . 1 784 77 77 SER N N 116.258 . 1 785 78 78 GLY H H 8.426 . 1 786 78 78 GLY HA2 H 4.081 . 1 787 78 78 GLY HA3 H 4.112 . 1 788 78 78 GLY C C 175.043 . 1 789 78 78 GLY CA C 45.823 . 1 790 78 78 GLY N N 110.281 . 1 791 79 79 THR H H 8.296 . 1 792 79 79 THR HA H 4.216 . 1 793 79 79 THR HB H 4.515 . 1 794 79 79 THR HG2 H 1.171 . 1 795 79 79 THR C C 176.279 . 1 796 79 79 THR CA C 62.074 . 1 797 79 79 THR CB C 68.862 . 1 798 79 79 THR CG2 C 21.742 . 1 799 79 79 THR N N 110.806 . 1 800 80 80 GLU H H 8.596 . 1 801 80 80 GLU HA H 4.246 . 1 802 80 80 GLU HB2 H 2.241 . 1 803 80 80 GLU HB3 H 2.163 . 1 804 80 80 GLU HG2 H 2.532 . 2 805 80 80 GLU HG3 H 2.532 . 2 806 80 80 GLU C C 176.755 . 1 807 80 80 GLU CA C 58.906 . 1 808 80 80 GLU CB C 28.350 . 1 809 80 80 GLU CG C 34.382 . 1 810 80 80 GLU N N 121.934 . 1 811 81 81 GLY H H 8.698 . 1 812 81 81 GLY HA2 H 4.201 . 1 813 81 81 GLY HA3 H 3.470 . 1 814 81 81 GLY C C 174.283 . 1 815 81 81 GLY CA C 44.981 . 1 816 81 81 GLY N N 105.937 . 1 817 82 82 LEU H H 7.529 . 1 818 82 82 LEU HA H 4.902 . 1 819 82 82 LEU HB2 H 1.558 . 1 820 82 82 LEU HB3 H 1.924 . 1 821 82 82 LEU HG H 0.887 . 1 822 82 82 LEU HD1 H 0.924 . 2 823 82 82 LEU HD2 H 0.873 . 2 824 82 82 LEU C C 176.829 . 1 825 82 82 LEU CA C 54.720 . 1 826 82 82 LEU CB C 43.819 . 1 827 82 82 LEU CG C 27.145 . 1 828 82 82 LEU CD1 C 27.306 . 1 829 82 82 LEU CD2 C 25.885 . 1 830 82 82 LEU N N 121.694 . 1 831 83 83 GLY H H 8.999 . 1 832 83 83 GLY HA2 H 4.160 . 1 833 83 83 GLY HA3 H 3.945 . 1 834 83 83 GLY C C 170.009 . 1 835 83 83 GLY CA C 46.418 . 1 836 83 83 GLY N N 111.240 . 1 837 84 84 LEU H H 8.319 . 1 838 84 84 LEU HA H 5.042 . 1 839 84 84 LEU HB2 H 1.032 . 1 840 84 84 LEU HB3 H 1.425 . 1 841 84 84 LEU HG H 1.432 . 1 842 84 84 LEU HD1 H 0.680 . 2 843 84 84 LEU HD2 H 0.793 . 2 844 84 84 LEU C C 176.681 . 1 845 84 84 LEU CA C 52.852 . 1 846 84 84 LEU CB C 43.705 . 1 847 84 84 LEU CG C 26.924 . 1 848 84 84 LEU CD1 C 23.739 . 1 849 84 84 LEU CD2 C 25.819 . 1 850 84 84 LEU N N 119.280 . 1 851 85 85 PHE H H 9.813 . 1 852 85 85 PHE HA H 5.200 . 1 853 85 85 PHE HB2 H 2.813 . 1 854 85 85 PHE HB3 H 3.577 . 1 855 85 85 PHE HD1 H 6.957 . 3 856 85 85 PHE HD2 H 6.957 . 3 857 85 85 PHE HE1 H 6.906 . 3 858 85 85 PHE HE2 H 6.906 . 3 859 85 85 PHE C C 174.772 . 1 860 85 85 PHE CA C 55.789 . 1 861 85 85 PHE CB C 41.579 . 1 862 85 85 PHE CD1 C 130.321 . 3 863 85 85 PHE CD2 C 130.321 . 3 864 85 85 PHE N N 126.929 . 1 865 86 86 ASN H H 8.897 . 1 866 86 86 ASN HA H 5.221 . 1 867 86 86 ASN HB2 H 2.474 . 1 868 86 86 ASN HB3 H 2.749 . 1 869 86 86 ASN HD21 H 6.950 . 1 870 86 86 ASN HD22 H 7.577 . 1 871 86 86 ASN C C 174.021 . 1 872 86 86 ASN CA C 51.880 . 1 873 86 86 ASN CB C 43.789 . 1 874 86 86 ASN N N 119.064 . 1 875 86 86 ASN ND2 N 112.098 . 1 876 87 87 GLN H H 8.906 . 1 877 87 87 GLN HA H 3.986 . 1 878 87 87 GLN HB2 H 2.338 . 1 879 87 87 GLN HB3 H 2.248 . 1 880 87 87 GLN HG2 H 2.479 . 1 881 87 87 GLN HG3 H 2.306 . 1 882 87 87 GLN HE21 H 6.821 . 1 883 87 87 GLN HE22 H 7.558 . 1 884 87 87 GLN C C 176.389 . 1 885 87 87 GLN CA C 56.851 . 1 886 87 87 GLN CB C 26.294 . 1 887 87 87 GLN CG C 34.181 . 1 888 87 87 GLN N N 117.171 . 1 889 87 87 GLN NE2 N 111.304 . 1 890 88 88 CYS H H 8.787 . 1 891 88 88 CYS HA H 5.581 . 1 892 88 88 CYS HB2 H 2.608 . 1 893 88 88 CYS HB3 H 2.982 . 1 894 88 88 CYS C C 174.614 . 1 895 88 88 CYS CA C 55.878 . 1 896 88 88 CYS CB C 46.007 . 1 897 88 88 CYS N N 119.134 . 1 898 89 89 SER H H 8.905 . 1 899 89 89 SER HA H 4.773 . 1 900 89 89 SER HB2 H 3.874 . 1 901 89 89 SER HB3 H 3.834 . 1 902 89 89 SER C C 173.633 . 1 903 89 89 SER CA C 56.470 . 1 904 89 89 SER CB C 65.744 . 1 905 89 89 SER N N 117.782 . 1 906 90 90 LYS H H 8.801 . 1 907 90 90 LYS HA H 4.193 . 1 908 90 90 LYS HB2 H 1.718 . 1 909 90 90 LYS HB3 H 1.712 . 1 910 90 90 LYS HG2 H 1.402 . 1 911 90 90 LYS HG3 H 1.211 . 1 912 90 90 LYS HD2 H 1.632 . 2 913 90 90 LYS HD3 H 1.632 . 2 914 90 90 LYS HE2 H 2.945 . 2 915 90 90 LYS HE3 H 2.945 . 2 916 90 90 LYS C C 176.354 . 1 917 90 90 LYS CA C 57.710 . 1 918 90 90 LYS CB C 33.238 . 1 919 90 90 LYS CG C 25.650 . 1 920 90 90 LYS CD C 29.527 . 1 921 90 90 LYS CE C 38.923 . 1 922 90 90 LYS N N 123.937 . 1 923 91 91 LEU H H 8.190 . 1 924 91 91 LEU HA H 4.501 . 1 925 91 91 LEU HB2 H 1.253 . 1 926 91 91 LEU HB3 H 1.370 . 1 927 91 91 LEU HG H 1.570 . 1 928 91 91 LEU HD1 H 0.803 . 2 929 91 91 LEU HD2 H 0.735 . 2 930 91 91 LEU C C 174.453 . 1 931 91 91 LEU CA C 54.243 . 1 932 91 91 LEU CB C 42.457 . 1 933 91 91 LEU CG C 27.182 . 1 934 91 91 LEU CD1 C 24.795 . 1 935 91 91 LEU CD2 C 25.984 . 1 936 91 91 LEU N N 126.398 . 1 937 92 92 ASP H H 8.316 . 1 938 92 92 ASP HA H 4.628 . 1 939 92 92 ASP HB2 H 2.508 . 1 940 92 92 ASP HB3 H 2.668 . 1 941 92 92 ASP C C 175.046 . 1 942 92 92 ASP CA C 53.035 . 1 943 92 92 ASP CB C 42.043 . 1 944 92 92 ASP N N 121.770 . 1 945 93 93 LEU H H 8.243 . 1 946 93 93 LEU HA H 4.275 . 1 947 93 93 LEU HB2 H 1.666 . 1 948 93 93 LEU HB3 H 1.536 . 1 949 93 93 LEU HG H 1.399 . 1 950 93 93 LEU HD1 H 0.917 . 2 951 93 93 LEU HD2 H 0.853 . 2 952 93 93 LEU C C 176.492 . 1 953 93 93 LEU CA C 54.870 . 1 954 93 93 LEU CB C 42.636 . 1 955 93 93 LEU CG C 27.230 . 1 956 93 93 LEU CD1 C 24.836 . 1 957 93 93 LEU CD2 C 23.759 . 1 958 93 93 LEU N N 121.705 . 1 959 94 94 GLN H H 8.353 . 1 960 94 94 GLN HA H 4.352 . 1 961 94 94 GLN HB2 H 1.971 . 1 962 94 94 GLN HB3 H 2.013 . 1 963 94 94 GLN HG2 H 2.287 . 2 964 94 94 GLN HG3 H 2.287 . 2 965 94 94 GLN HE21 H 6.869 . 1 966 94 94 GLN HE22 H 7.626 . 1 967 94 94 GLN C C 175.481 . 1 968 94 94 GLN CA C 55.407 . 1 969 94 94 GLN CB C 29.791 . 1 970 94 94 GLN CG C 33.981 . 1 971 94 94 GLN N N 122.580 . 1 972 94 94 GLN NE2 N 112.720 . 1 973 95 95 ILE H H 8.378 . 1 974 95 95 ILE HA H 4.426 . 1 975 95 95 ILE HB H 1.870 . 1 976 95 95 ILE HG12 H 1.186 . 1 977 95 95 ILE HG13 H 1.514 . 1 978 95 95 ILE HG2 H 0.956 . 1 979 95 95 ILE HD1 H 0.868 . 1 980 95 95 ILE CA C 58.670 . 1 981 95 95 ILE CB C 38.454 . 1 982 95 95 ILE CG1 C 27.121 . 1 983 95 95 ILE CG2 C 17.160 . 1 984 95 95 ILE CD1 C 12.895 . 1 985 95 95 ILE N N 124.982 . 1 986 96 96 PRO HA H 4.455 . 1 987 96 96 PRO HB2 H 1.953 . 1 988 96 96 PRO HB3 H 2.270 . 1 989 96 96 PRO HG2 H 2.031 . 2 990 96 96 PRO HG3 H 2.031 . 2 991 96 96 PRO HD2 H 3.901 . 1 992 96 96 PRO HD3 H 3.669 . 1 993 96 96 PRO C C 176.710 . 1 994 96 96 PRO CA C 63.280 . 1 995 96 96 PRO CB C 32.182 . 1 996 96 96 PRO CG C 27.399 . 1 997 96 96 PRO CD C 51.129 . 1 998 97 97 VAL H H 8.315 . 1 999 97 97 VAL HA H 4.037 . 1 1000 97 97 VAL HB H 2.095 . 1 1001 97 97 VAL HG1 H 0.955 . 2 1002 97 97 VAL HG2 H 1.012 . 2 1003 97 97 VAL C C 176.289 . 1 1004 97 97 VAL CA C 62.979 . 1 1005 97 97 VAL CB C 32.904 . 1 1006 97 97 VAL CG1 C 20.870 . 1 1007 97 97 VAL CG2 C 21.209 . 1 1008 97 97 VAL N N 120.440 . 1 1009 98 98 ILE H H 8.066 . 1 1010 98 98 ILE HA H 4.107 . 1 1011 98 98 ILE HB H 1.833 . 1 1012 98 98 ILE HG12 H 1.483 . 2 1013 98 98 ILE HG13 H 1.483 . 2 1014 98 98 ILE HG2 H 1.224 . 1 1015 98 98 ILE HD1 H 0.907 . 1 1016 98 98 ILE C C 176.520 . 1 1017 98 98 ILE CA C 61.624 . 1 1018 98 98 ILE CB C 38.740 . 1 1019 98 98 ILE CG1 C 27.619 . 1 1020 98 98 ILE CG2 C 17.367 . 1 1021 98 98 ILE CD1 C 12.732 . 1 1022 98 98 ILE N N 122.238 . 1 1023 99 99 GLY H H 8.430 . 1 1024 99 99 GLY HA2 H 4.162 . 1 1025 99 99 GLY HA3 H 3.746 . 1 1026 99 99 GLY C C 173.651 . 1 1027 99 99 GLY CA C 44.973 . 1 1028 99 99 GLY N N 112.338 . 1 1029 100 100 ILE H H 7.789 . 1 1030 100 100 ILE HA H 4.557 . 1 1031 100 100 ILE HB H 1.899 . 1 1032 100 100 ILE HG12 H 1.131 . 1 1033 100 100 ILE HG13 H 1.475 . 1 1034 100 100 ILE HG2 H 0.938 . 1 1035 100 100 ILE HD1 H 0.854 . 1 1036 100 100 ILE CA C 58.342 . 1 1037 100 100 ILE CB C 38.670 . 1 1038 100 100 ILE CG1 C 26.978 . 1 1039 100 100 ILE CG2 C 17.160 . 1 1040 100 100 ILE CD1 C 12.829 . 1 1041 100 100 ILE N N 120.585 . 1 1042 101 101 PRO HA H 4.480 . 1 1043 101 101 PRO HB2 H 1.932 . 1 1044 101 101 PRO HB3 H 2.245 . 1 1045 101 101 PRO HG2 H 2.050 . 2 1046 101 101 PRO HG3 H 2.050 . 2 1047 101 101 PRO HD2 H 3.885 . 1 1048 101 101 PRO HD3 H 3.713 . 1 1049 101 101 PRO C C 176.701 . 1 1050 101 101 PRO CA C 63.208 . 1 1051 101 101 PRO CB C 31.847 . 1 1052 101 101 PRO CG C 27.451 . 1 1053 101 101 PRO CD C 50.986 . 1 1054 102 102 ILE H H 8.138 . 1 1055 102 102 ILE HA H 4.161 . 1 1056 102 102 ILE HB H 1.828 . 1 1057 102 102 ILE HG12 H 1.203 . 1 1058 102 102 ILE HG13 H 1.500 . 1 1059 102 102 ILE HG2 H 0.909 . 1 1060 102 102 ILE HD1 H 0.874 . 1 1061 102 102 ILE C C 176.286 . 1 1062 102 102 ILE CA C 60.973 . 1 1063 102 102 ILE CB C 39.298 . 1 1064 102 102 ILE CG1 C 27.500 . 1 1065 102 102 ILE CG2 C 17.528 . 1 1066 102 102 ILE CD1 C 13.074 . 1 1067 102 102 ILE N N 121.291 . 1 1068 103 103 GLN H H 8.538 . 1 1069 103 103 GLN HA H 4.418 . 1 1070 103 103 GLN HB2 H 2.031 . 1 1071 103 103 GLN HB3 H 2.173 . 1 1072 103 103 GLN HG2 H 2.368 . 2 1073 103 103 GLN HG3 H 2.368 . 2 1074 103 103 GLN HE21 H 6.862 . 1 1075 103 103 GLN HE22 H 7.528 . 1 1076 103 103 GLN C C 174.897 . 1 1077 103 103 GLN CA C 55.261 . 1 1078 103 103 GLN CB C 29.032 . 1 1079 103 103 GLN CG C 33.734 . 1 1080 103 103 GLN N N 125.054 . 1 1081 103 103 GLN NE2 N 112.245 . 1 1082 104 104 ALA H H 8.187 . 1 1083 104 104 ALA HA H 4.435 . 1 1084 104 104 ALA HB H 1.369 . 1 1085 104 104 ALA C C 176.884 . 1 1086 104 104 ALA CA C 51.888 . 1 1087 104 104 ALA CB C 20.327 . 1 1088 104 104 ALA N N 125.156 . 1 1089 105 105 LEU H H 8.543 . 1 1090 105 105 LEU HA H 4.637 . 1 1091 105 105 LEU HB2 H 1.726 . 1 1092 105 105 LEU HB3 H 1.734 . 1 1093 105 105 LEU HG H 1.654 . 1 1094 105 105 LEU HD1 H 0.773 . 2 1095 105 105 LEU HD2 H 0.977 . 2 1096 105 105 LEU C C 179.055 . 1 1097 105 105 LEU CA C 54.216 . 1 1098 105 105 LEU CB C 41.008 . 1 1099 105 105 LEU CG C 26.809 . 1 1100 105 105 LEU CD1 C 22.590 . 1 1101 105 105 LEU CD2 C 24.811 . 1 1102 105 105 LEU N N 122.516 . 1 1103 106 106 VAL H H 8.460 . 1 1104 106 106 VAL HA H 3.709 . 1 1105 106 106 VAL HB H 1.714 . 1 1106 106 106 VAL HG1 H 0.962 . 2 1107 106 106 VAL HG2 H 0.960 . 2 1108 106 106 VAL C C 176.187 . 1 1109 106 106 VAL CA C 65.907 . 1 1110 106 106 VAL CB C 31.884 . 1 1111 106 106 VAL CG1 C 21.293 . 1 1112 106 106 VAL CG2 C 23.698 . 1 1113 106 106 VAL N N 124.234 . 1 1114 107 107 ASN H H 8.959 . 1 1115 107 107 ASN HA H 4.747 . 1 1116 107 107 ASN HB2 H 2.658 . 1 1117 107 107 ASN HB3 H 3.024 . 1 1118 107 107 ASN HD21 H 7.575 . 1 1119 107 107 ASN HD22 H 7.356 . 1 1120 107 107 ASN C C 176.614 . 1 1121 107 107 ASN CA C 54.619 . 1 1122 107 107 ASN CB C 37.932 . 1 1123 107 107 ASN N N 119.407 . 1 1124 107 107 ASN ND2 N 111.877 . 1 1125 108 108 GLN H H 7.216 . 1 1126 108 108 GLN HA H 4.209 . 1 1127 108 108 GLN HB2 H 2.214 . 1 1128 108 108 GLN HB3 H 2.212 . 1 1129 108 108 GLN HG2 H 2.482 . 2 1130 108 108 GLN HG3 H 2.482 . 2 1131 108 108 GLN HE21 H 6.923 . 1 1132 108 108 GLN HE22 H 7.570 . 1 1133 108 108 GLN C C 177.338 . 1 1134 108 108 GLN CA C 56.775 . 1 1135 108 108 GLN CB C 28.642 . 1 1136 108 108 GLN CG C 34.286 . 1 1137 108 108 GLN N N 114.678 . 1 1138 108 108 GLN NE2 N 113.084 . 1 1139 109 109 LYS H H 7.241 . 1 1140 109 109 LYS HA H 4.363 . 1 1141 109 109 LYS HB2 H 1.696 . 1 1142 109 109 LYS HB3 H 1.906 . 1 1143 109 109 LYS HG2 H 1.446 . 2 1144 109 109 LYS HG3 H 1.446 . 2 1145 109 109 LYS HD2 H 1.627 . 1 1146 109 109 LYS HD3 H 1.926 . 1 1147 109 109 LYS HE2 H 3.010 . 1 1148 109 109 LYS HE3 H 2.934 . 1 1149 109 109 LYS C C 175.865 . 1 1150 109 109 LYS CA C 54.953 . 1 1151 109 109 LYS CB C 33.036 . 1 1152 109 109 LYS CG C 23.893 . 1 1153 109 109 LYS CD C 27.792 . 1 1154 109 109 LYS CE C 42.025 . 1 1155 109 109 LYS N N 115.781 . 1 1156 110 110 CYS H H 7.711 . 1 1157 110 110 CYS HA H 4.960 . 1 1158 110 110 CYS HB2 H 2.760 . 1 1159 110 110 CYS HB3 H 2.704 . 1 1160 110 110 CYS C C 172.671 . 1 1161 110 110 CYS CA C 54.727 . 1 1162 110 110 CYS CB C 40.947 . 1 1163 110 110 CYS N N 116.580 . 1 1164 111 111 LYS H H 9.036 . 1 1165 111 111 LYS HA H 4.626 . 1 1166 111 111 LYS HB2 H 1.674 . 1 1167 111 111 LYS HB3 H 2.157 . 1 1168 111 111 LYS HG2 H 1.470 . 2 1169 111 111 LYS HG3 H 1.470 . 2 1170 111 111 LYS HD2 H 2.173 . 2 1171 111 111 LYS HD3 H 2.173 . 2 1172 111 111 LYS C C 175.483 . 1 1173 111 111 LYS CA C 55.330 . 1 1174 111 111 LYS CB C 31.863 . 1 1175 111 111 LYS CG C 24.848 . 1 1176 111 111 LYS CD C 28.443 . 1 1177 111 111 LYS N N 127.127 . 1 1178 112 112 GLN H H 7.128 . 1 1179 112 112 GLN HA H 4.636 . 1 1180 112 112 GLN HB2 H 2.430 . 1 1181 112 112 GLN HB3 H 2.321 . 1 1182 112 112 GLN HG2 H 2.429 . 2 1183 112 112 GLN HG3 H 2.429 . 2 1184 112 112 GLN HE21 H 7.286 . 1 1185 112 112 GLN HE22 H 6.649 . 1 1186 112 112 GLN C C 174.252 . 1 1187 112 112 GLN CA C 54.173 . 1 1188 112 112 GLN CB C 27.348 . 1 1189 112 112 GLN CG C 32.865 . 1 1190 112 112 GLN N N 119.061 . 1 1191 112 112 GLN NE2 N 109.964 . 1 1192 113 113 ASN H H 8.070 . 1 1193 113 113 ASN HA H 4.832 . 1 1194 113 113 ASN HB2 H 2.524 . 1 1195 113 113 ASN HB3 H 3.263 . 1 1196 113 113 ASN HD21 H 6.719 . 1 1197 113 113 ASN HD22 H 7.822 . 1 1198 113 113 ASN C C 173.676 . 1 1199 113 113 ASN CA C 54.321 . 1 1200 113 113 ASN CB C 39.861 . 1 1201 113 113 ASN N N 117.571 . 1 1202 113 113 ASN ND2 N 114.868 . 1 1203 114 114 ILE H H 8.918 . 1 1204 114 114 ILE HA H 4.754 . 1 1205 114 114 ILE HB H 1.787 . 1 1206 114 114 ILE HG12 H 0.601 . 1 1207 114 114 ILE HG13 H 1.743 . 1 1208 114 114 ILE HG2 H 0.811 . 1 1209 114 114 ILE HD1 H 0.949 . 1 1210 114 114 ILE C C 175.925 . 1 1211 114 114 ILE CA C 61.507 . 1 1212 114 114 ILE CB C 37.579 . 1 1213 114 114 ILE CG1 C 29.872 . 1 1214 114 114 ILE CG2 C 20.728 . 1 1215 114 114 ILE CD1 C 14.986 . 1 1216 114 114 ILE N N 126.480 . 1 1217 115 115 ALA H H 9.127 . 1 1218 115 115 ALA HA H 4.919 . 1 1219 115 115 ALA HB H 0.588 . 1 1220 115 115 ALA C C 174.020 . 1 1221 115 115 ALA CA C 50.937 . 1 1222 115 115 ALA CB C 24.499 . 1 1223 115 115 ALA N N 132.251 . 1 1224 116 116 CYS H H 8.769 . 1 1225 116 116 CYS HA H 5.002 . 1 1226 116 116 CYS HB2 H 2.584 . 1 1227 116 116 CYS HB3 H 2.554 . 1 1228 116 116 CYS C C 174.423 . 1 1229 116 116 CYS CA C 51.446 . 1 1230 116 116 CYS CB C 37.172 . 1 1231 116 116 CYS N N 118.322 . 1 1232 117 117 CYS H H 8.855 . 1 1233 117 117 CYS HA H 5.100 . 1 1234 117 117 CYS HB2 H 2.939 . 1 1235 117 117 CYS HB3 H 2.643 . 1 1236 117 117 CYS C C 174.071 . 1 1237 117 117 CYS CA C 55.208 . 1 1238 117 117 CYS CB C 46.725 . 1 1239 117 117 CYS N N 122.429 . 1 1240 118 118 GLN H H 8.581 . 1 1241 118 118 GLN HA H 4.293 . 1 1242 118 118 GLN HB2 H 2.058 . 1 1243 118 118 GLN HB3 H 2.129 . 1 1244 118 118 GLN HG2 H 2.477 . 1 1245 118 118 GLN HG3 H 2.469 . 1 1246 118 118 GLN HE21 H 7.412 . 1 1247 118 118 GLN HE22 H 6.858 . 1 1248 118 118 GLN C C 174.968 . 1 1249 118 118 GLN CA C 56.600 . 1 1250 118 118 GLN CB C 30.108 . 1 1251 118 118 GLN CG C 34.050 . 1 1252 118 118 GLN N N 122.096 . 1 1253 118 118 GLN NE2 N 110.380 . 1 1254 119 119 ASN H H 8.448 . 1 1255 119 119 ASN HA H 4.671 . 1 1256 119 119 ASN HB2 H 2.633 . 1 1257 119 119 ASN HB3 H 2.679 . 1 1258 119 119 ASN HD21 H 6.640 . 1 1259 119 119 ASN HD22 H 7.415 . 1 1260 119 119 ASN C C 175.138 . 1 1261 119 119 ASN CA C 53.277 . 1 1262 119 119 ASN CB C 38.931 . 1 1263 119 119 ASN N N 122.089 . 1 1264 119 119 ASN ND2 N 110.603 . 1 1265 120 120 SER H H 8.159 . 1 1266 120 120 SER HA H 4.777 . 1 1267 120 120 SER HB2 H 3.833 . 1 1268 120 120 SER HB3 H 3.854 . 1 1269 120 120 SER CA C 56.106 . 1 1270 120 120 SER CB C 63.593 . 1 1271 120 120 SER N N 116.462 . 1 1272 121 121 PRO HA H 4.483 . 1 1273 121 121 PRO HB2 H 2.321 . 2 1274 121 121 PRO HB3 H 2.321 . 2 1275 121 121 PRO HG2 H 2.006 . 2 1276 121 121 PRO HG3 H 2.006 . 2 1277 121 121 PRO HD2 H 3.772 . 2 1278 121 121 PRO HD3 H 3.772 . 2 1279 121 121 PRO C C 177.048 . 1 1280 121 121 PRO CA C 63.397 . 1 1281 121 121 PRO CB C 32.181 . 1 1282 121 121 PRO CG C 27.413 . 1 1283 121 121 PRO CD C 50.779 . 1 1284 122 122 SER H H 8.428 . 1 1285 122 122 SER HA H 4.484 . 1 1286 122 122 SER HB2 H 3.860 . 1 1287 122 122 SER HB3 H 3.931 . 1 1288 122 122 SER C C 174.625 . 1 1289 122 122 SER CA C 58.505 . 1 1290 122 122 SER CB C 64.023 . 1 1291 122 122 SER N N 115.541 . 1 1292 123 123 ASP H H 8.364 . 1 1293 123 123 ASP HA H 4.663 . 1 1294 123 123 ASP HB2 H 2.772 . 1 1295 123 123 ASP HB3 H 2.823 . 1 1296 123 123 ASP C C 176.286 . 1 1297 123 123 ASP CA C 54.075 . 1 1298 123 123 ASP CB C 40.253 . 1 1299 123 123 ASP N N 121.562 . 1 1300 124 124 ALA H H 8.252 . 1 1301 124 124 ALA HA H 4.323 . 1 1302 124 124 ALA HB H 1.427 . 1 1303 124 124 ALA C C 178.175 . 1 1304 124 124 ALA CA C 53.204 . 1 1305 124 124 ALA CB C 19.053 . 1 1306 124 124 ALA N N 123.730 . 1 1307 125 125 SER H H 8.229 . 1 1308 125 125 SER HA H 4.412 . 1 1309 125 125 SER HB2 H 3.922 . 1 1310 125 125 SER HB3 H 3.980 . 1 1311 125 125 SER C C 175.552 . 1 1312 125 125 SER CA C 59.074 . 1 1313 125 125 SER CB C 63.793 . 1 1314 125 125 SER N N 113.924 . 1 1315 126 126 GLY H H 8.344 . 1 1316 126 126 GLY HA2 H 3.957 . 1 1317 126 126 GLY HA3 H 4.080 . 1 1318 126 126 GLY C C 174.903 . 1 1319 126 126 GLY CA C 45.982 . 1 1320 126 126 GLY N N 110.827 . 1 1321 127 127 SER H H 8.242 . 1 1322 127 127 SER HA H 4.431 . 1 1323 127 127 SER HB2 H 3.883 . 1 1324 127 127 SER HB3 H 3.931 . 1 1325 127 127 SER C C 174.991 . 1 1326 127 127 SER CA C 59.249 . 1 1327 127 127 SER CB C 63.647 . 1 1328 127 127 SER N N 115.865 . 1 1329 128 128 LEU H H 8.260 . 1 1330 128 128 LEU HA H 4.418 . 1 1331 128 128 LEU HB2 H 1.658 . 1 1332 128 128 LEU HB3 H 1.726 . 1 1333 128 128 LEU HG H 1.653 . 1 1334 128 128 LEU HD1 H 0.885 . 2 1335 128 128 LEU HD2 H 0.914 . 2 1336 128 128 LEU C C 177.652 . 1 1337 128 128 LEU CA C 55.375 . 1 1338 128 128 LEU CB C 42.033 . 1 1339 128 128 LEU CG C 27.060 . 1 1340 128 128 LEU CD1 C 25.388 . 1 1341 128 128 LEU CD2 C 23.474 . 1 1342 128 128 LEU N N 122.658 . 1 1343 129 129 ILE H H 7.779 . 1 1344 129 129 ILE HA H 4.141 . 1 1345 129 129 ILE HB H 1.913 . 1 1346 129 129 ILE HG12 H 1.228 . 1 1347 129 129 ILE HG13 H 1.506 . 1 1348 129 129 ILE HG2 H 0.925 . 1 1349 129 129 ILE HD1 H 0.869 . 1 1350 129 129 ILE C C 176.884 . 1 1351 129 129 ILE CA C 62.071 . 1 1352 129 129 ILE CB C 38.314 . 1 1353 129 129 ILE CG1 C 27.778 . 1 1354 129 129 ILE CG2 C 17.513 . 1 1355 129 129 ILE CD1 C 12.855 . 1 1356 129 129 ILE N N 119.732 . 1 1357 130 130 GLY H H 8.407 . 1 1358 130 130 GLY HA2 H 3.917 . 1 1359 130 130 GLY HA3 H 3.989 . 1 1360 130 130 GLY C C 174.583 . 1 1361 130 130 GLY CA C 45.503 . 1 1362 130 130 GLY N N 111.392 . 1 1363 131 131 LEU H H 8.068 . 1 1364 131 131 LEU HA H 4.346 . 1 1365 131 131 LEU HB2 H 1.538 . 1 1366 131 131 LEU HB3 H 1.705 . 1 1367 131 131 LEU HG H 1.635 . 1 1368 131 131 LEU HD1 H 0.907 . 2 1369 131 131 LEU HD2 H 0.843 . 2 1370 131 131 LEU C C 176.880 . 1 1371 131 131 LEU CA C 55.509 . 1 1372 131 131 LEU CB C 43.013 . 1 1373 131 131 LEU CG C 26.999 . 1 1374 131 131 LEU CD1 C 25.328 . 1 1375 131 131 LEU CD2 C 23.100 . 1 1376 131 131 LEU N N 120.538 . 1 1377 132 132 GLY H H 7.868 . 1 1378 132 132 GLY HA2 H 4.025 . 1 1379 132 132 GLY HA3 H 3.795 . 1 1380 132 132 GLY C C 171.520 . 1 1381 132 132 GLY CA C 44.432 . 1 1382 132 132 GLY N N 106.552 . 1 1383 133 133 LEU H H 9.192 . 1 1384 133 133 LEU HA H 4.916 . 1 1385 133 133 LEU HB2 H 1.653 . 1 1386 133 133 LEU HB3 H 1.654 . 1 1387 133 133 LEU HG H 1.692 . 1 1388 133 133 LEU HD1 H 0.915 . 2 1389 133 133 LEU HD2 H 0.926 . 2 1390 133 133 LEU CA C 51.915 . 1 1391 133 133 LEU CB C 44.640 . 1 1392 133 133 LEU CG C 27.033 . 1 1393 133 133 LEU CD1 C 24.684 . 1 1394 133 133 LEU CD2 C 24.909 . 1 1395 133 133 LEU N N 122.254 . 1 1396 134 134 PRO HA H 5.102 . 1 1397 134 134 PRO HB2 H 2.066 . 1 1398 134 134 PRO HB3 H 2.074 . 1 1399 134 134 PRO HG2 H 2.342 . 1 1400 134 134 PRO HG3 H 1.858 . 1 1401 134 134 PRO HD2 H 4.076 . 2 1402 134 134 PRO HD3 H 4.076 . 2 1403 134 134 PRO C C 175.916 . 1 1404 134 134 PRO CA C 62.396 . 1 1405 134 134 PRO CB C 31.595 . 1 1406 134 134 PRO CG C 28.322 . 1 1407 134 134 PRO CD C 50.982 . 1 1408 135 135 CYS H H 8.838 . 1 1409 135 135 CYS HA H 5.393 . 1 1410 135 135 CYS HB2 H 1.891 . 1 1411 135 135 CYS HB3 H 2.424 . 1 1412 135 135 CYS C C 171.004 . 1 1413 135 135 CYS CA C 54.286 . 1 1414 135 135 CYS CB C 52.649 . 1 1415 135 135 CYS N N 121.257 . 1 1416 136 136 ILE H H 8.228 . 1 1417 136 136 ILE HA H 4.838 . 1 1418 136 136 ILE HB H 1.350 . 1 1419 136 136 ILE HG12 H 0.882 . 1 1420 136 136 ILE HG13 H 1.295 . 1 1421 136 136 ILE HG2 H 0.741 . 1 1422 136 136 ILE HD1 H 0.741 . 1 1423 136 136 ILE C C 175.477 . 1 1424 136 136 ILE CA C 58.179 . 1 1425 136 136 ILE CB C 42.229 . 1 1426 136 136 ILE CG1 C 28.824 . 1 1427 136 136 ILE CG2 C 17.336 . 1 1428 136 136 ILE CD1 C 15.006 . 1 1429 136 136 ILE N N 117.514 . 1 1430 137 137 ALA H H 8.761 . 1 1431 137 137 ALA HA H 4.184 . 1 1432 137 137 ALA HB H 1.744 . 1 1433 137 137 ALA C C 178.944 . 1 1434 137 137 ALA CA C 53.024 . 1 1435 137 137 ALA CB C 19.040 . 1 1436 137 137 ALA N N 130.071 . 1 1437 138 138 LEU H H 8.984 . 1 1438 138 138 LEU HA H 3.914 . 1 1439 138 138 LEU HB2 H 1.167 . 1 1440 138 138 LEU HB3 H 1.518 . 1 1441 138 138 LEU HG H 1.547 . 1 1442 138 138 LEU HD1 H 0.858 . 2 1443 138 138 LEU HD2 H 0.879 . 2 1444 138 138 LEU C C 178.177 . 1 1445 138 138 LEU CA C 57.807 . 1 1446 138 138 LEU CB C 41.874 . 1 1447 138 138 LEU CG C 27.424 . 1 1448 138 138 LEU CD1 C 27.580 . 1 1449 138 138 LEU CD2 C 23.440 . 1 1450 138 138 LEU N N 131.375 . 1 1451 139 139 GLY H H 10.299 . 1 1452 139 139 GLY HA2 H 3.813 . 1 1453 139 139 GLY HA3 H 3.805 . 1 1454 139 139 GLY C C 174.249 . 1 1455 139 139 GLY CA C 46.290 . 1 1456 139 139 GLY N N 103.758 . 1 1457 140 140 SER H H 7.283 . 1 1458 140 140 SER HA H 4.315 . 1 1459 140 140 SER HB2 H 2.197 . 1 1460 140 140 SER HB3 H 3.452 . 1 1461 140 140 SER C C 174.213 . 1 1462 140 140 SER CA C 59.379 . 1 1463 140 140 SER CB C 63.801 . 1 1464 140 140 SER N N 113.311 . 1 1465 141 141 ILE H H 7.278 . 1 1466 141 141 ILE HA H 4.719 . 1 1467 141 141 ILE HB H 2.247 . 1 1468 141 141 ILE HG12 H 1.193 . 1 1469 141 141 ILE HG13 H 1.326 . 1 1470 141 141 ILE HG2 H 0.832 . 1 1471 141 141 ILE HD1 H 0.770 . 1 1472 141 141 ILE C C 175.114 . 1 1473 141 141 ILE CA C 61.301 . 1 1474 141 141 ILE CB C 39.124 . 1 1475 141 141 ILE CG1 C 26.340 . 1 1476 141 141 ILE CG2 C 18.569 . 1 1477 141 141 ILE CD1 C 14.640 . 1 1478 141 141 ILE N N 114.276 . 1 1479 142 142 LEU H H 6.973 . 1 1480 142 142 LEU HA H 4.148 . 1 1481 142 142 LEU HB2 H 1.630 . 1 1482 142 142 LEU HB3 H 1.632 . 1 1483 142 142 LEU HG H 1.890 . 1 1484 142 142 LEU HD1 H 0.817 . 2 1485 142 142 LEU HD2 H 0.922 . 2 1486 142 142 LEU CA C 56.522 . 1 1487 142 142 LEU CB C 43.006 . 1 1488 142 142 LEU CG C 26.853 . 1 1489 142 142 LEU CD1 C 26.754 . 1 1490 142 142 LEU CD2 C 26.671 . 1 1491 142 142 LEU N N 126.363 . 1 stop_ save_