data_15049 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment of the first and second KH (hnRNP-K homology) domains of human poly(C)-binding protein-2 (PCBP2) ; _BMRB_accession_number 15049 _BMRB_flat_file_name bmr15049.str _Entry_type original _Submission_date 2006-11-21 _Accession_date 2006-11-21 _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 Du Zhihua . . 2 Fenn Sebastian . . 3 James Thomas L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 920 "13C chemical shifts" 626 "15N chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2007-05-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignment of the first and second KH (hnRNP-K homology) domains of human poly(C)-binding protein-2 (PCBP2)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17479348 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Du Zhihua . . 2 Fenn Sebastian . . 3 James Thomas L. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 197 _Page_last 197 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PCBP2 KH1+KH2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Kh1+Kh2 $PCBP2_KH1_and_KH2_domains stop_ _System_molecular_weight 19000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PCBP2_KH1_and_KH2_domains _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PCBP2_KH1_and_KH2_domains _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; MKHHHHHHKNVTLTIRLLMH GKEVGSIIGKKGESVKKMRE ESGARINISEGNCPERIITL AGPTNAIFKAFAMIIGKLEE DISSSMTNSTAASRPPVTLR LVVPASQCGSLIGKGGCKIK EIRESTGAQVQVAGDMLPNS TERAITIAGIPQSIIECVKQ ICVVMLET ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 MET 2 3 LYS 3 4 HIS 4 5 HIS 5 6 HIS 6 7 HIS 7 8 HIS 8 9 HIS 9 10 LYS 10 11 ASN 11 12 VAL 12 13 THR 13 14 LEU 14 15 THR 15 16 ILE 16 17 ARG 17 18 LEU 18 19 LEU 19 20 MET 20 21 HIS 21 22 GLY 22 23 LYS 23 24 GLU 24 25 VAL 25 26 GLY 26 27 SER 27 28 ILE 28 29 ILE 29 30 GLY 30 31 LYS 31 32 LYS 32 33 GLY 33 34 GLU 34 35 SER 35 36 VAL 36 37 LYS 37 38 LYS 38 39 MET 39 40 ARG 40 41 GLU 41 42 GLU 42 43 SER 43 44 GLY 44 45 ALA 45 46 ARG 46 47 ILE 47 48 ASN 48 49 ILE 49 50 SER 50 51 GLU 51 52 GLY 52 53 ASN 53 54 CYS 54 55 PRO 55 56 GLU 56 57 ARG 57 58 ILE 58 59 ILE 59 60 THR 60 61 LEU 61 62 ALA 62 63 GLY 63 64 PRO 64 65 THR 65 66 ASN 66 67 ALA 67 68 ILE 68 69 PHE 69 70 LYS 70 71 ALA 71 72 PHE 72 73 ALA 73 74 MET 74 75 ILE 75 76 ILE 76 77 GLY 77 78 LYS 78 79 LEU 79 80 GLU 80 81 GLU 81 82 ASP 82 83 ILE 83 84 SER 84 85 SER 85 86 SER 86 87 MET 87 88 THR 88 89 ASN 89 90 SER 90 91 THR 91 92 ALA 92 93 ALA 93 94 SER 94 95 ARG 95 96 PRO 96 97 PRO 97 98 VAL 98 99 THR 99 100 LEU 100 101 ARG 101 102 LEU 102 103 VAL 103 104 VAL 104 105 PRO 105 106 ALA 106 107 SER 107 108 GLN 108 109 CYS 109 110 GLY 110 111 SER 111 112 LEU 112 113 ILE 113 114 GLY 114 115 LYS 115 116 GLY 116 117 GLY 117 118 CYS 118 119 LYS 119 120 ILE 120 121 LYS 121 122 GLU 122 123 ILE 123 124 ARG 124 125 GLU 125 126 SER 126 127 THR 127 128 GLY 128 129 ALA 129 130 GLN 130 131 VAL 131 132 GLN 132 133 VAL 133 134 ALA 134 135 GLY 135 136 ASP 136 137 MET 137 138 LEU 138 139 PRO 139 140 ASN 140 141 SER 141 142 THR 142 143 GLU 143 144 ARG 144 145 ALA 145 146 ILE 146 147 THR 147 148 ILE 148 149 ALA 149 150 GLY 150 151 ILE 151 152 PRO 152 153 GLN 153 154 SER 154 155 ILE 155 156 ILE 156 157 GLU 157 158 CYS 158 159 VAL 159 160 LYS 160 161 GLN 161 162 ILE 162 163 CYS 163 164 VAL 164 165 VAL 165 166 MET 166 167 LEU 167 168 GLU 168 169 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JZX "Pcbp2 Kh1-Kh2 Domains" 95.24 160 99.38 99.38 3.62e-107 DBJ BAE41029 "unnamed protein product [Mus musculus]" 94.64 278 98.74 99.37 1.99e-104 DBJ BAG59482 "unnamed protein product [Homo sapiens]" 94.64 301 98.74 99.37 5.44e-104 GB KFP19120 "Poly(rC)-binding protein 2, partial [Egretta garzetta]" 94.64 249 98.74 99.37 1.01e-104 GB KFQ73073 "Poly(rC)-binding protein 2, partial [Phaethon lepturus]" 94.64 192 98.74 99.37 3.87e-105 REF XP_002721142 "PREDICTED: poly(rC)-binding protein 2-like isoform X1 [Oryctolagus cuniculus]" 94.64 362 97.48 98.11 1.08e-100 REF XP_004951015 "PREDICTED: poly(rC)-binding protein 2-like isoform X5 [Gallus gallus]" 94.64 431 98.74 99.37 5.74e-102 REF XP_004951016 "PREDICTED: poly(rC)-binding protein 2-like isoform X6 [Gallus gallus]" 94.64 418 98.74 99.37 4.68e-102 REF XP_004951017 "PREDICTED: poly(rC)-binding protein 2-like isoform X7 [Gallus gallus]" 94.64 409 98.74 99.37 3.07e-102 REF XP_004951018 "PREDICTED: poly(rC)-binding protein 2-like isoform X8 [Gallus gallus]" 94.64 396 98.74 99.37 3.48e-102 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PCBP2_KH1_and_KH2_domains human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PCBP2_KH1_and_KH2_domains 'recombinant technology' . Escherichia coli BL21-DE3 pet24A 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 $PCBP2_KH1_and_KH2_domains 1 mM '[U-100% 13C; U-100% 15N]' H2O 10 % . D2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _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' 50 . mM pH 5.4 . pH pressure 1 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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' '2D 1H-13C HSQC' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D H(CCO)NH' '3D 1H-15N NOESY' 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 Kh1+Kh2 _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 10 9 LYS H H 8.488 0.05 1 2 10 9 LYS HB2 H 1.690 0.05 1 3 10 9 LYS HB3 H 1.690 0.05 1 4 10 9 LYS HG2 H 1.328 0.05 1 5 10 9 LYS HG3 H 1.328 0.05 1 6 10 9 LYS HD2 H 1.608 0.05 1 7 10 9 LYS HD3 H 1.608 0.05 1 8 10 9 LYS HE2 H 2.921 0.05 1 9 10 9 LYS HE3 H 2.921 0.05 1 10 10 9 LYS C C 176.038 0.2 1 11 10 9 LYS CA C 56.578 0.2 1 12 10 9 LYS CB C 33.418 0.2 1 13 10 9 LYS CG C 24.567 0.2 1 14 10 9 LYS CD C 29.054 0.2 1 15 10 9 LYS CE C 42.101 0.2 1 16 10 9 LYS N N 123.134 0.2 1 17 11 10 ASN H H 8.698 0.05 1 18 11 10 ASN HA H 4.143 0.05 1 19 11 10 ASN HB2 H 2.802 0.05 2 20 11 10 ASN HB3 H 2.710 0.05 2 21 11 10 ASN HD21 H 7.622 0.05 2 22 11 10 ASN HD22 H 6.944 0.05 2 23 11 10 ASN C C 174.758 0.2 1 24 11 10 ASN CA C 53.291 0.2 1 25 11 10 ASN CB C 38.688 0.2 1 26 11 10 ASN N N 120.763 0.2 1 27 11 10 ASN ND2 N 113.172 0.2 1 28 12 11 VAL H H 8.077 0.05 1 29 12 11 VAL HA H 4.219 0.05 1 30 12 11 VAL HB H 2.101 0.05 1 31 12 11 VAL HG1 H 0.871 0.05 2 32 12 11 VAL HG2 H 0.882 0.05 2 33 12 11 VAL C C 175.579 0.2 1 34 12 11 VAL CA C 61.930 0.2 1 35 12 11 VAL CB C 33.009 0.2 1 36 12 11 VAL CG1 C 21.273 0.2 2 37 12 11 VAL CG2 C 20.217 0.2 2 38 12 11 VAL N N 119.550 0.2 1 39 13 12 THR H H 8.135 0.05 1 40 13 12 THR HA H 4.252 0.05 1 41 13 12 THR HB H 3.952 0.05 1 42 13 12 THR HG1 H 4.909 0.05 1 43 13 12 THR HG2 H 1.007 0.05 1 44 13 12 THR C C 172.986 0.2 1 45 13 12 THR CA C 61.545 0.2 1 46 13 12 THR CB C 70.146 0.2 1 47 13 12 THR CG2 C 21.556 0.2 1 48 13 12 THR N N 118.502 0.2 1 49 14 13 LEU H H 8.548 0.05 1 50 14 13 LEU HA H 4.347 0.05 1 51 14 13 LEU HB2 H 1.497 0.05 1 52 14 13 LEU HB3 H 1.497 0.05 1 53 14 13 LEU HG H 1.513 0.05 1 54 14 13 LEU HD1 H 0.889 0.05 2 55 14 13 LEU HD2 H 0.852 0.05 2 56 14 13 LEU C C 175.094 0.2 1 57 14 13 LEU CA C 54.482 0.2 1 58 14 13 LEU CB C 44.966 0.2 1 59 14 13 LEU CD1 C 25.020 0.2 2 60 14 13 LEU CD2 C 24.701 0.2 2 61 14 13 LEU N N 126.522 0.2 1 62 15 14 THR H H 7.858 0.05 1 63 15 14 THR HA H 4.516 0.05 1 64 15 14 THR HB H 3.845 0.05 1 65 15 14 THR HG1 H 5.096 0.05 1 66 15 14 THR HG2 H 1.001 0.05 1 67 15 14 THR C C 173.583 0.2 1 68 15 14 THR CA C 61.394 0.2 1 69 15 14 THR CB C 71.362 0.2 1 70 15 14 THR CG2 C 21.453 0.2 1 71 15 14 THR N N 115.899 0.2 1 72 16 15 ILE H H 8.948 0.05 1 73 16 15 ILE HA H 4.412 0.05 1 74 16 15 ILE HB H 1.517 0.05 1 75 16 15 ILE HG12 H 1.209 0.05 1 76 16 15 ILE HG13 H 1.209 0.05 1 77 16 15 ILE HG2 H 0.692 0.05 1 78 16 15 ILE HD1 H 0.783 0.05 1 79 16 15 ILE C C 173.403 0.2 1 80 16 15 ILE CA C 59.467 0.2 1 81 16 15 ILE CB C 41.633 0.2 1 82 16 15 ILE CG1 C 29.461 0.2 1 83 16 15 ILE CG2 C 17.338 0.2 1 84 16 15 ILE CD1 C 12.679 0.2 1 85 16 15 ILE N N 124.416 0.2 1 86 17 16 ARG H H 8.845 0.05 1 87 17 16 ARG HA H 5.336 0.05 1 88 17 16 ARG HB2 H 1.720 0.05 1 89 17 16 ARG HB3 H 1.720 0.05 1 90 17 16 ARG HG2 H 1.404 0.05 1 91 17 16 ARG HG3 H 1.404 0.05 1 92 17 16 ARG HD2 H 3.042 0.05 1 93 17 16 ARG HD3 H 3.042 0.05 1 94 17 16 ARG HE H 7.235 0.05 1 95 17 16 ARG HH11 H 6.829 0.05 2 96 17 16 ARG HH12 H 6.829 0.05 2 97 17 16 ARG HH21 H 6.828 0.05 2 98 17 16 ARG HH22 H 6.828 0.05 2 99 17 16 ARG C C 174.413 0.2 1 100 17 16 ARG CA C 54.672 0.2 1 101 17 16 ARG CB C 33.223 0.2 1 102 17 16 ARG CG C 27.939 0.2 1 103 17 16 ARG N N 126.100 0.2 1 104 17 16 ARG NE N 83.720 0.2 1 105 18 17 LEU H H 9.175 0.05 1 106 18 17 LEU HA H 4.055 0.05 1 107 18 17 LEU HB2 H 1.563 0.05 1 108 18 17 LEU HB3 H 1.563 0.05 1 109 18 17 LEU HD1 H 0.852 0.05 2 110 18 17 LEU HD2 H 0.790 0.05 2 111 18 17 LEU C C 175.995 0.2 1 112 18 17 LEU CA C 52.892 0.2 1 113 18 17 LEU CB C 45.233 0.2 1 114 18 17 LEU CD1 C 25.345 0.2 2 115 18 17 LEU CD2 C 24.905 0.2 2 116 18 17 LEU N N 121.761 0.2 1 117 19 18 LEU H H 8.593 0.05 1 118 19 18 LEU HA H 5.097 0.05 1 119 19 18 LEU HB2 H 1.445 0.05 1 120 19 18 LEU HB3 H 1.445 0.05 1 121 19 18 LEU HG H 1.265 0.05 1 122 19 18 LEU HD1 H 0.633 0.05 2 123 19 18 LEU HD2 H 0.619 0.05 2 124 19 18 LEU C C 176.094 0.2 1 125 19 18 LEU CA C 53.969 0.2 1 126 19 18 LEU CB C 43.851 0.2 1 127 19 18 LEU CG C 25.678 0.2 1 128 19 18 LEU CD1 C 25.637 0.2 2 129 19 18 LEU CD2 C 23.966 0.2 2 130 19 18 LEU N N 123.676 0.2 1 131 20 19 MET H H 9.079 0.05 1 132 20 19 MET HA H 4.779 0.05 1 133 20 19 MET HB2 H 2.348 0.05 1 134 20 19 MET HB3 H 2.348 0.05 1 135 20 19 MET HG2 H 2.411 0.05 1 136 20 19 MET HG3 H 2.411 0.05 1 137 20 19 MET C C 174.745 0.2 1 138 20 19 MET CA C 54.349 0.2 1 139 20 19 MET CB C 33.557 0.2 1 140 20 19 MET N N 126.040 0.2 1 141 21 20 HIS H H 8.881 0.050 1 142 21 20 HIS HA H 4.951 0.050 1 143 21 20 HIS HB2 H 3.417 0.050 2 144 21 20 HIS HB3 H 3.078 0.056 2 145 21 20 HIS C C 176.585 0.2 1 146 21 20 HIS CA C 55.129 0.2 1 147 21 20 HIS CB C 30.097 0.2 1 148 21 20 HIS N N 118.402 0.2 1 149 22 21 GLY H H 8.920 0.05 1 150 22 21 GLY HA2 H 3.613 0.05 2 151 22 21 GLY HA3 H 4.049 0.05 2 152 22 21 GLY C C 176.589 0.2 1 153 22 21 GLY CA C 48.157 0.2 1 154 22 21 GLY N N 110.801 0.2 1 155 23 22 LYS H H 9.059 0.05 1 156 23 22 LYS HA H 4.354 0.05 1 157 23 22 LYS HB2 H 1.847 0.05 1 158 23 22 LYS HB3 H 1.847 0.05 1 159 23 22 LYS HG2 H 1.414 0.05 1 160 23 22 LYS HG3 H 1.414 0.05 1 161 23 22 LYS HD2 H 1.636 0.05 1 162 23 22 LYS HD3 H 1.636 0.05 1 163 23 22 LYS HE2 H 2.948 0.05 1 164 23 22 LYS HE3 H 2.948 0.05 1 165 23 22 LYS C C 178.674 0.2 1 166 23 22 LYS CA C 58.999 0.2 1 167 23 22 LYS CB C 32.242 0.2 1 168 23 22 LYS CG C 24.684 0.2 1 169 23 22 LYS CD C 28.841 0.2 1 170 23 22 LYS CE C 42.025 0.2 1 171 23 22 LYS N N 122.682 0.2 1 172 24 23 GLU H H 7.583 0.05 1 173 24 23 GLU HA H 3.892 0.05 1 174 24 23 GLU HB2 H 2.359 0.05 1 175 24 23 GLU HB3 H 2.359 0.05 1 176 24 23 GLU HG2 H 2.380 0.05 1 177 24 23 GLU HG3 H 2.380 0.05 1 178 24 23 GLU C C 178.454 0.2 1 179 24 23 GLU CA C 58.668 0.2 1 180 24 23 GLU CB C 32.057 0.2 1 181 24 23 GLU CG C 47.224 0.2 1 182 24 23 GLU N N 118.606 0.2 1 183 25 24 VAL H H 7.673 0.05 1 184 25 24 VAL HA H 3.540 0.05 1 185 25 24 VAL HB H 2.747 0.05 1 186 25 24 VAL HG1 H 0.866 0.05 2 187 25 24 VAL HG2 H 0.855 0.05 2 188 25 24 VAL C C 177.642 0.2 1 189 25 24 VAL CA C 66.251 0.2 1 190 25 24 VAL CB C 31.246 0.2 1 191 25 24 VAL CG1 C 21.872 0.2 2 192 25 24 VAL CG2 C 21.694 0.2 2 193 25 24 VAL N N 116.660 0.2 1 194 26 25 GLY H H 8.031 0.05 1 195 26 25 GLY HA2 H 3.759 0.05 2 196 26 25 GLY HA3 H 3.891 0.05 2 197 26 25 GLY C C 176.805 0.2 1 198 26 25 GLY CA C 47.517 0.2 1 199 26 25 GLY N N 106.270 0.2 1 200 27 26 SER H H 7.670 0.05 1 201 27 26 SER HA H 4.232 0.05 1 202 27 26 SER HB2 H 3.904 0.05 1 203 27 26 SER HB3 H 3.904 0.05 1 204 27 26 SER C C 175.489 0.2 1 205 27 26 SER CA C 60.972 0.2 1 206 27 26 SER CB C 62.871 0.2 1 207 27 26 SER N N 117.263 0.2 1 208 28 27 ILE H H 7.512 0.05 1 209 28 27 ILE HA H 4.091 0.05 1 210 28 27 ILE HB H 1.702 0.05 1 211 28 27 ILE HG12 H 1.184 0.05 1 212 28 27 ILE HG13 H 1.184 0.05 1 213 28 27 ILE HG2 H 0.849 0.05 1 214 28 27 ILE HD1 H 0.687 0.05 1 215 28 27 ILE C C 176.214 0.2 1 216 28 27 ILE CA C 63.557 0.2 1 217 28 27 ILE CB C 37.849 0.2 1 218 28 27 ILE CG2 C 17.507 0.2 1 219 28 27 ILE CD1 C 13.676 0.2 1 220 28 27 ILE N N 119.044 0.2 1 221 29 28 ILE H H 8.083 0.05 1 222 29 28 ILE HA H 3.720 0.05 1 223 29 28 ILE HB H 1.874 0.05 1 224 29 28 ILE HG12 H 1.042 0.05 1 225 29 28 ILE HG13 H 1.042 0.05 1 226 29 28 ILE HG2 H 1.005 0.05 1 227 29 28 ILE HD1 H 0.730 0.05 1 228 29 28 ILE C C 178.639 0.2 1 229 29 28 ILE CA C 64.873 0.2 1 230 29 28 ILE CG1 C 27.108 0.2 1 231 29 28 ILE CG2 C 17.746 0.2 1 232 29 28 ILE CD1 C 13.325 0.2 1 233 29 28 ILE N N 115.857 0.2 1 234 30 29 GLY H H 7.701 0.05 1 235 30 29 GLY HA2 H 3.928 0.05 2 236 30 29 GLY HA3 H 4.242 0.05 2 237 30 29 GLY C C 174.525 0.2 1 238 30 29 GLY CA C 44.330 0.2 1 239 30 29 GLY N N 106.362 0.2 1 240 31 30 LYS H H 8.968 0.05 1 241 31 30 LYS HA H 3.789 0.05 1 242 31 30 LYS HB2 H 1.782 0.05 1 243 31 30 LYS HB3 H 1.782 0.05 1 244 31 30 LYS HG2 H 1.479 0.05 1 245 31 30 LYS HG3 H 1.479 0.05 1 246 31 30 LYS HD2 H 1.664 0.05 1 247 31 30 LYS HD3 H 1.664 0.05 1 248 31 30 LYS CA C 58.654 0.2 1 249 31 30 LYS CB C 32.204 0.2 1 250 31 30 LYS CG C 24.645 0.2 1 251 31 30 LYS CD C 28.789 0.2 1 252 31 30 LYS CE C 41.855 0.2 1 253 31 30 LYS N N 122.859 0.2 1 254 32 31 LYS H H 9.387 0.05 1 255 32 31 LYS HA H 4.529 0.05 1 256 32 31 LYS HB2 H 1.776 0.05 1 257 32 31 LYS HB3 H 1.776 0.05 1 258 32 31 LYS HG2 H 1.353 0.05 1 259 32 31 LYS HG3 H 1.353 0.05 1 260 32 31 LYS HD2 H 1.635 0.05 1 261 32 31 LYS HD3 H 1.635 0.05 1 262 32 31 LYS C C 176.903 0.2 1 263 32 31 LYS CA C 56.250 0.2 1 264 32 31 LYS CB C 31.337 0.2 1 265 32 31 LYS CG C 25.265 0.2 1 266 32 31 LYS CD C 28.665 0.2 1 267 32 31 LYS CE C 42.027 0.2 1 268 32 31 LYS N N 121.106 0.2 1 269 33 32 GLY H H 7.616 0.05 1 270 33 32 GLY HA2 H 3.910 0.05 1 271 33 32 GLY HA3 H 3.910 0.05 1 272 33 32 GLY C C 177.908 0.2 1 273 33 32 GLY CA C 46.479 0.2 1 274 33 32 GLY N N 106.325 0.2 1 275 34 33 GLU H H 8.207 0.05 1 276 34 33 GLU HA H 4.061 0.05 1 277 34 33 GLU HB2 H 2.072 0.05 1 278 34 33 GLU HB3 H 2.072 0.05 1 279 34 33 GLU HG2 H 2.352 0.05 1 280 34 33 GLU HG3 H 2.352 0.05 1 281 34 33 GLU C C 178.595 0.2 1 282 34 33 GLU CA C 58.975 0.2 1 283 34 33 GLU CB C 29.122 0.2 1 284 34 33 GLU CG C 35.896 0.2 1 285 34 33 GLU N N 120.577 0.2 1 286 35 34 SER H H 7.937 0.05 1 287 35 34 SER HA H 4.490 0.05 1 288 35 34 SER HB2 H 3.723 0.05 1 289 35 34 SER HB3 H 3.723 0.05 1 290 35 34 SER C C 176.631 0.2 1 291 35 34 SER CA C 60.940 0.2 1 292 35 34 SER CB C 61.984 0.2 1 293 35 34 SER N N 115.627 0.2 1 294 36 35 VAL H H 7.744 0.05 1 295 36 35 VAL HA H 4.044 0.05 1 296 36 35 VAL HB H 2.146 0.05 1 297 36 35 VAL HG1 H 0.875 0.05 2 298 36 35 VAL HG2 H 1.026 0.05 2 299 36 35 VAL C C 176.538 0.2 1 300 36 35 VAL CA C 64.915 0.2 1 301 36 35 VAL CB C 30.763 0.2 1 302 36 35 VAL CG1 C 22.194 0.2 2 303 36 35 VAL CG2 C 19.759 0.2 2 304 36 35 VAL N N 122.264 0.2 1 305 37 36 LYS H H 7.620 0.05 1 306 37 36 LYS HA H 4.028 0.05 1 307 37 36 LYS HB2 H 1.845 0.05 1 308 37 36 LYS HB3 H 1.845 0.05 1 309 37 36 LYS HG2 H 1.481 0.05 1 310 37 36 LYS HG3 H 1.481 0.05 1 311 37 36 LYS HD2 H 1.648 0.05 1 312 37 36 LYS HD3 H 1.648 0.05 1 313 37 36 LYS HE2 H 3.021 0.05 1 314 37 36 LYS HE3 H 3.021 0.05 1 315 37 36 LYS C C 178.243 0.2 1 316 37 36 LYS CA C 60.415 0.2 1 317 37 36 LYS CB C 32.727 0.2 1 318 37 36 LYS CG C 24.355 0.2 1 319 37 36 LYS CD C 29.420 0.2 1 320 37 36 LYS CE C 42.027 0.2 1 321 37 36 LYS N N 123.206 0.2 1 322 38 37 LYS H H 7.366 0.05 1 323 38 37 LYS HA H 3.870 0.05 1 324 38 37 LYS HB2 H 1.986 0.05 2 325 38 37 LYS HB3 H 1.895 0.05 2 326 38 37 LYS HG2 H 1.502 0.05 1 327 38 37 LYS HG3 H 1.502 0.05 1 328 38 37 LYS HD2 H 1.699 0.05 1 329 38 37 LYS HD3 H 1.699 0.05 1 330 38 37 LYS HE2 H 2.960 0.05 1 331 38 37 LYS HE3 H 2.960 0.05 1 332 38 37 LYS C C 178.520 0.2 1 333 38 37 LYS CA C 59.119 0.2 1 334 38 37 LYS CB C 32.263 0.2 1 335 38 37 LYS CG C 24.735 0.2 1 336 38 37 LYS CD C 28.809 0.2 1 337 38 37 LYS CE C 41.931 0.2 1 338 38 37 LYS N N 119.092 0.2 1 339 39 38 MET H H 8.138 0.05 1 340 39 38 MET HA H 4.159 0.05 1 341 39 38 MET HB2 H 2.487 0.05 1 342 39 38 MET HB3 H 2.487 0.05 1 343 39 38 MET HG2 H 2.855 0.05 1 344 39 38 MET HG3 H 2.855 0.05 1 345 39 38 MET C C 180.574 0.2 1 346 39 38 MET CA C 59.638 0.2 1 347 39 38 MET CB C 32.393 0.2 1 348 39 38 MET N N 116.827 0.2 1 349 40 39 ARG H H 8.606 0.05 1 350 40 39 ARG HA H 4.001 0.05 1 351 40 39 ARG HB2 H 2.002 0.05 1 352 40 39 ARG HB3 H 2.002 0.05 1 353 40 39 ARG HG2 H 1.417 0.05 1 354 40 39 ARG HG3 H 1.417 0.05 1 355 40 39 ARG HD2 H 3.201 0.05 1 356 40 39 ARG HD3 H 3.201 0.05 1 357 40 39 ARG HE H 7.069 0.05 1 358 40 39 ARG HH11 H 6.785 0.05 2 359 40 39 ARG HH12 H 6.785 0.05 2 360 40 39 ARG HH21 H 6.810 0.05 2 361 40 39 ARG HH22 H 6.810 0.05 2 362 40 39 ARG C C 178.634 0.2 1 363 40 39 ARG CA C 60.243 0.2 1 364 40 39 ARG CB C 29.152 0.2 1 365 40 39 ARG CD C 44.114 0.2 1 366 40 39 ARG N N 122.662 0.2 1 367 40 39 ARG NE N 85.998 0.2 1 368 41 40 GLU H H 8.031 0.05 1 369 41 40 GLU HA H 3.944 0.05 1 370 41 40 GLU HB2 H 2.256 0.05 1 371 41 40 GLU HB3 H 2.256 0.05 1 372 41 40 GLU HG2 H 2.447 0.05 1 373 41 40 GLU HG3 H 2.447 0.05 1 374 41 40 GLU C C 179.146 0.2 1 375 41 40 GLU CA C 59.234 0.2 1 376 41 40 GLU CB C 29.581 0.2 1 377 41 40 GLU CG C 36.355 0.2 1 378 41 40 GLU N N 119.069 0.2 1 379 42 41 GLU H H 8.667 0.05 1 380 42 41 GLU HA H 4.160 0.05 1 381 42 41 GLU HB2 H 1.949 0.05 1 382 42 41 GLU HB3 H 1.949 0.05 1 383 42 41 GLU HG2 H 2.442 0.05 2 384 42 41 GLU HG3 H 2.236 0.05 2 385 42 41 GLU C C 178.091 0.2 1 386 42 41 GLU CA C 58.284 0.2 1 387 42 41 GLU CB C 29.929 0.2 1 388 42 41 GLU CG C 36.791 0.2 1 389 42 41 GLU N N 115.553 0.2 1 390 43 42 SER H H 8.035 0.05 1 391 43 42 SER HA H 4.253 0.05 1 392 43 42 SER HB2 H 3.826 0.05 1 393 43 42 SER HB3 H 3.826 0.05 1 394 43 42 SER HG H 5.462 0.05 1 395 43 42 SER C C 174.940 0.2 1 396 43 42 SER CA C 60.582 0.2 1 397 43 42 SER CB C 64.793 0.2 1 398 43 42 SER N N 110.861 0.2 1 399 44 43 GLY H H 7.742 0.05 1 400 44 43 GLY HA2 H 3.805 0.05 2 401 44 43 GLY HA3 H 4.200 0.05 2 402 44 43 GLY C C 174.106 0.2 1 403 44 43 GLY CA C 45.937 0.2 1 404 44 43 GLY N N 109.228 0.2 1 405 45 44 ALA H H 8.436 0.05 1 406 45 44 ALA HA H 4.248 0.05 1 407 45 44 ALA HB H 1.001 0.05 1 408 45 44 ALA C C 176.953 0.2 1 409 45 44 ALA CA C 50.910 0.2 1 410 45 44 ALA CB C 18.636 0.2 1 411 45 44 ALA N N 122.760 0.2 1 412 46 45 ARG H H 8.702 0.05 1 413 46 45 ARG HA H 5.250 0.05 1 414 46 45 ARG HB2 H 1.490 0.05 1 415 46 45 ARG HB3 H 1.490 0.05 1 416 46 45 ARG HG2 H 1.686 0.05 1 417 46 45 ARG HG3 H 1.686 0.05 1 418 46 45 ARG HD2 H 3.063 0.05 1 419 46 45 ARG HD3 H 3.063 0.05 1 420 46 45 ARG HE H 7.136 0.05 1 421 46 45 ARG HH11 H 6.612 0.05 2 422 46 45 ARG HH12 H 6.612 0.05 2 423 46 45 ARG HH21 H 6.612 0.05 2 424 46 45 ARG HH22 H 6.612 0.05 2 425 46 45 ARG C C 176.125 0.2 1 426 46 45 ARG CA C 56.022 0.2 1 427 46 45 ARG CB C 30.341 0.2 1 428 46 45 ARG CG C 27.253 0.2 1 429 46 45 ARG CD C 42.954 0.2 1 430 46 45 ARG N N 120.428 0.2 1 431 46 45 ARG NE N 83.420 0.2 1 432 47 46 ILE H H 8.390 0.05 1 433 47 46 ILE HA H 4.862 0.05 1 434 47 46 ILE HB H 1.934 0.05 1 435 47 46 ILE HG12 H 1.407 0.05 1 436 47 46 ILE HG13 H 1.407 0.05 1 437 47 46 ILE HD1 H 0.493 0.05 1 438 47 46 ILE C C 174.666 0.2 1 439 47 46 ILE CA C 60.549 0.2 1 440 47 46 ILE CB C 40.552 0.2 1 441 47 46 ILE CG1 C 25.494 0.2 1 442 47 46 ILE CG2 C 16.090 0.2 1 443 47 46 ILE CD1 C 13.434 0.2 1 444 47 46 ILE N N 122.927 0.2 1 445 48 47 ASN H H 8.941 0.05 1 446 48 47 ASN HA H 5.117 0.05 1 447 48 47 ASN HB2 H 2.649 0.05 2 448 48 47 ASN HB3 H 2.462 0.05 2 449 48 47 ASN HD21 H 7.627 0.05 2 450 48 47 ASN HD22 H 6.839 0.05 2 451 48 47 ASN C C 172.881 0.2 1 452 48 47 ASN CA C 52.067 0.2 1 453 48 47 ASN CB C 42.248 0.2 1 454 48 47 ASN N N 125.564 0.2 1 455 48 47 ASN ND2 N 112.863 0.2 1 456 49 48 ILE H H 8.873 0.05 1 457 49 48 ILE HA H 4.250 0.05 1 458 49 48 ILE HB H 1.587 0.05 1 459 49 48 ILE HG12 H 1.031 0.05 1 460 49 48 ILE HG13 H 1.031 0.05 1 461 49 48 ILE HG2 H 0.783 0.05 1 462 49 48 ILE HD1 H 0.722 0.05 1 463 49 48 ILE C C 175.929 0.2 1 464 49 48 ILE CA C 60.379 0.2 1 465 49 48 ILE CB C 39.537 0.2 1 466 49 48 ILE CG1 C 28.302 0.2 1 467 49 48 ILE CG2 C 17.962 0.2 1 468 49 48 ILE CD1 C 13.994 0.2 1 469 49 48 ILE N N 123.410 0.2 1 470 50 49 SER H H 8.575 0.05 1 471 50 49 SER HA H 4.178 0.05 1 472 50 49 SER HB2 H 3.994 0.05 1 473 50 49 SER HB3 H 3.994 0.05 1 474 50 49 SER HG H 5.327 0.05 1 475 50 49 SER C C 174.299 0.2 1 476 50 49 SER CA C 59.522 0.2 1 477 50 49 SER CB C 63.494 0.2 1 478 50 49 SER N N 123.939 0.2 1 479 51 50 GLU H H 8.637 0.05 1 480 51 50 GLU HA H 4.333 0.05 1 481 51 50 GLU HB2 H 2.055 0.05 2 482 51 50 GLU HB3 H 1.914 0.05 2 483 51 50 GLU HG2 H 2.300 0.05 1 484 51 50 GLU HG3 H 2.300 0.05 1 485 51 50 GLU C C 176.829 0.2 1 486 51 50 GLU CA C 56.420 0.2 1 487 51 50 GLU CB C 30.890 0.2 1 488 51 50 GLU CG C 36.380 0.2 1 489 51 50 GLU N N 120.930 0.2 1 490 52 51 GLY H H 8.441 0.05 1 491 52 51 GLY HA2 H 4.168 0.05 2 492 52 51 GLY HA3 H 3.835 0.05 2 493 52 51 GLY C C 173.523 0.2 1 494 52 51 GLY CA C 45.253 0.2 1 495 52 51 GLY N N 109.498 0.2 1 496 53 52 ASN H H 8.536 0.05 1 497 53 52 ASN HA H 4.761 0.05 1 498 53 52 ASN HB2 H 2.796 0.05 2 499 53 52 ASN HB3 H 2.716 0.05 2 500 53 52 ASN HD21 H 7.562 0.05 2 501 53 52 ASN HD22 H 6.935 0.05 2 502 53 52 ASN C C 174.872 0.2 1 503 53 52 ASN CA C 52.823 0.2 1 504 53 52 ASN CB C 38.103 0.2 1 505 53 52 ASN N N 118.471 0.2 1 506 53 52 ASN ND2 N 113.659 0.2 1 507 54 53 CYS H H 7.693 0.05 1 508 54 53 CYS HA H 4.757 0.05 1 509 54 53 CYS HB2 H 3.016 0.05 1 510 54 53 CYS HB3 H 3.016 0.05 1 511 54 53 CYS HG H 1.934 0.05 1 512 54 53 CYS CA C 56.018 0.2 1 513 54 53 CYS N N 119.754 0.2 1 514 55 54 PRO HA H 4.320 0.05 1 515 55 54 PRO HB2 H 2.330 0.05 1 516 55 54 PRO HB3 H 2.330 0.05 1 517 55 54 PRO HG2 H 2.063 0.05 2 518 55 54 PRO HG3 H 1.964 0.05 2 519 55 54 PRO HD2 H 3.845 0.05 1 520 55 54 PRO HD3 H 3.845 0.05 1 521 55 54 PRO C C 177.008 0.2 1 522 55 54 PRO CA C 64.913 0.2 1 523 55 54 PRO CB C 32.229 0.2 1 524 55 54 PRO CG C 27.154 0.2 1 525 55 54 PRO CD C 50.808 0.2 1 526 56 55 GLU H H 7.468 0.05 1 527 56 55 GLU HA H 4.744 0.05 1 528 56 55 GLU HB2 H 1.775 0.05 1 529 56 55 GLU HB3 H 1.775 0.05 1 530 56 55 GLU HG2 H 2.015 0.05 2 531 56 55 GLU HG3 H 2.075 0.05 2 532 56 55 GLU C C 175.775 0.2 1 533 56 55 GLU CA C 55.329 0.2 1 534 56 55 GLU CB C 29.998 0.2 1 535 56 55 GLU CG C 36.282 0.2 1 536 56 55 GLU N N 115.949 0.2 1 537 57 56 ARG H H 8.558 0.05 1 538 57 56 ARG HA H 3.823 0.05 1 539 57 56 ARG HB2 H 1.473 0.05 1 540 57 56 ARG HB3 H 1.473 0.05 1 541 57 56 ARG HG2 H 1.635 0.05 1 542 57 56 ARG HG3 H 1.635 0.05 1 543 57 56 ARG HD2 H 3.050 0.05 1 544 57 56 ARG HD3 H 3.050 0.05 1 545 57 56 ARG HE H 6.878 0.05 1 546 57 56 ARG HH11 H 6.767 0.05 2 547 57 56 ARG HH12 H 6.767 0.05 2 548 57 56 ARG HH21 H 6.776 0.05 2 549 57 56 ARG HH22 H 6.776 0.05 2 550 57 56 ARG C C 173.830 0.2 1 551 57 56 ARG CA C 53.519 0.2 1 552 57 56 ARG CB C 33.737 0.2 1 553 57 56 ARG CG C 26.462 0.2 1 554 57 56 ARG CD C 42.955 0.2 1 555 57 56 ARG N N 120.490 0.2 1 556 57 56 ARG NE N 83.198 0.2 1 557 58 57 ILE H H 8.472 0.05 1 558 58 57 ILE HA H 5.102 0.05 1 559 58 57 ILE HB H 1.611 0.05 1 560 58 57 ILE HG2 H 0.894 0.05 1 561 58 57 ILE HD1 H 0.659 0.05 1 562 58 57 ILE C C 177.271 0.2 1 563 58 57 ILE CA C 58.971 0.2 1 564 58 57 ILE CG2 C 17.444 0.2 1 565 58 57 ILE CD1 C 12.219 0.2 1 566 58 57 ILE N N 120.799 0.2 1 567 59 58 ILE H H 9.421 0.05 1 568 59 58 ILE HA H 4.713 0.05 1 569 59 58 ILE HG12 H 1.159 0.05 1 570 59 58 ILE HG13 H 1.159 0.05 1 571 59 58 ILE HG2 H 1.059 0.05 1 572 59 58 ILE HD1 H 0.659 0.05 1 573 59 58 ILE C C 174.765 0.2 1 574 59 58 ILE CA C 59.705 0.2 1 575 59 58 ILE CB C 39.263 0.2 1 576 59 58 ILE CG2 C 17.343 0.2 1 577 59 58 ILE CD1 C 13.732 0.2 1 578 59 58 ILE N N 130.532 0.2 1 579 60 59 THR H H 9.245 0.05 1 580 60 59 THR HA H 4.894 0.05 1 581 60 59 THR HB H 3.842 0.05 1 582 60 59 THR HG1 H 4.872 0.05 1 583 60 59 THR HG2 H 0.984 0.05 1 584 60 59 THR C C 173.438 0.2 1 585 60 59 THR CA C 62.259 0.2 1 586 60 59 THR CB C 69.996 0.2 1 587 60 59 THR CG2 C 21.338 0.2 1 588 60 59 THR N N 123.694 0.2 1 589 61 60 LEU H H 9.392 0.05 1 590 61 60 LEU HA H 5.056 0.05 1 591 61 60 LEU HB2 H 1.667 0.05 1 592 61 60 LEU HB3 H 1.667 0.05 1 593 61 60 LEU HG H 1.030 0.05 1 594 61 60 LEU HD1 H 0.584 0.05 2 595 61 60 LEU HD2 H 0.549 0.05 2 596 61 60 LEU C C 174.589 0.2 1 597 61 60 LEU CA C 53.087 0.2 1 598 61 60 LEU CB C 44.616 0.2 1 599 61 60 LEU CG C 27.437 0.2 1 600 61 60 LEU CD1 C 25.805 0.2 2 601 61 60 LEU CD2 C 25.257 0.2 2 602 61 60 LEU N N 127.522 0.2 1 603 62 61 ALA H H 8.772 0.05 1 604 62 61 ALA HA H 4.252 0.05 1 605 62 61 ALA HB H 1.260 0.05 1 606 62 61 ALA C C 175.864 0.2 1 607 62 61 ALA CA C 50.795 0.2 1 608 62 61 ALA CB C 23.118 0.2 1 609 62 61 ALA N N 123.299 0.2 1 610 63 62 GLY H H 8.409 0.05 1 611 63 62 GLY HA2 H 3.884 0.05 1 612 63 62 GLY HA3 H 3.884 0.05 1 613 63 62 GLY CA C 44.452 0.2 1 614 63 62 GLY N N 107.824 0.2 1 615 64 63 PRO HA H 4.767 0.05 1 616 64 63 PRO HB2 H 2.056 0.05 1 617 64 63 PRO HB3 H 2.056 0.05 1 618 64 63 PRO HG2 H 2.012 0.05 1 619 64 63 PRO HG3 H 2.012 0.05 1 620 64 63 PRO HD2 H 3.450 0.05 1 621 64 63 PRO HD3 H 3.450 0.05 1 622 64 63 PRO C C 177.872 0.2 1 623 64 63 PRO CA C 62.507 0.2 1 624 64 63 PRO CB C 32.263 0.2 1 625 64 63 PRO CG C 27.379 0.2 1 626 64 63 PRO CD C 49.255 0.2 1 627 65 64 THR H H 8.661 0.05 1 628 65 64 THR HA H 4.345 0.05 1 629 65 64 THR HB H 3.870 0.05 1 630 65 64 THR HG1 H 4.751 0.05 1 631 65 64 THR HG2 H 1.093 0.05 1 632 65 64 THR C C 175.283 0.2 1 633 65 64 THR CA C 66.899 0.2 1 634 65 64 THR CB C 68.019 0.2 1 635 65 64 THR CG2 C 22.807 0.2 1 636 65 64 THR N N 116.990 0.2 1 637 66 65 ASN H H 8.711 0.05 1 638 66 65 ASN HA H 3.859 0.05 1 639 66 65 ASN HB2 H 2.768 0.05 1 640 66 65 ASN HB3 H 2.768 0.05 1 641 66 65 ASN HD21 H 7.666 0.05 2 642 66 65 ASN HD22 H 6.950 0.05 2 643 66 65 ASN C C 177.631 0.2 1 644 66 65 ASN CA C 56.495 0.2 1 645 66 65 ASN CB C 37.280 0.2 1 646 66 65 ASN N N 115.928 0.2 1 647 66 65 ASN ND2 N 112.951 0.2 1 648 67 66 ALA H H 7.093 0.05 1 649 67 66 ALA HA H 5.047 0.05 1 650 67 66 ALA HB H 1.350 0.05 1 651 67 66 ALA C C 179.552 0.2 1 652 67 66 ALA CA C 54.713 0.2 1 653 67 66 ALA CB C 18.668 0.2 1 654 67 66 ALA N N 122.753 0.2 1 655 68 67 ILE H H 7.936 0.05 1 656 68 67 ILE HA H 3.393 0.05 1 657 68 67 ILE HB H 1.702 0.05 1 658 68 67 ILE HG12 H 1.153 0.05 1 659 68 67 ILE HG13 H 1.153 0.05 1 660 68 67 ILE HG2 H 0.813 0.05 1 661 68 67 ILE HD1 H 0.517 0.05 1 662 68 67 ILE C C 178.440 0.2 1 663 68 67 ILE CA C 64.669 0.2 1 664 68 67 ILE CB C 36.650 0.2 1 665 68 67 ILE CG1 C 27.949 0.2 1 666 68 67 ILE CG2 C 17.727 0.2 1 667 68 67 ILE CD1 C 12.881 0.2 1 668 68 67 ILE N N 117.383 0.2 1 669 69 68 PHE H H 8.254 0.05 1 670 69 68 PHE HA H 4.358 0.05 1 671 69 68 PHE HB2 H 3.192 0.05 2 672 69 68 PHE HB3 H 3.090 0.05 2 673 69 68 PHE C C 179.037 0.2 1 674 69 68 PHE CA C 61.098 0.2 1 675 69 68 PHE CB C 37.226 0.2 1 676 69 68 PHE N N 117.426 0.2 1 677 70 69 LYS H H 7.782 0.05 1 678 70 69 LYS HA H 5.720 0.05 1 679 70 69 LYS HB2 H 1.857 0.05 1 680 70 69 LYS HB3 H 1.857 0.05 1 681 70 69 LYS HG2 H 1.607 0.05 1 682 70 69 LYS HG3 H 1.607 0.05 1 683 70 69 LYS HD2 H 1.749 0.05 1 684 70 69 LYS HD3 H 1.749 0.05 1 685 70 69 LYS HE2 H 2.843 0.05 1 686 70 69 LYS HE3 H 2.843 0.05 1 687 70 69 LYS C C 178.643 0.2 1 688 70 69 LYS CA C 59.864 0.2 1 689 70 69 LYS CB C 32.571 0.2 1 690 70 69 LYS CG C 25.669 0.2 1 691 70 69 LYS CD C 29.157 0.2 1 692 70 69 LYS CE C 42.143 0.2 1 693 70 69 LYS N N 122.478 0.2 1 694 71 70 ALA H H 8.300 0.05 1 695 71 70 ALA HA H 4.037 0.05 1 696 71 70 ALA HB H 1.343 0.05 1 697 71 70 ALA C C 179.439 0.2 1 698 71 70 ALA CA C 55.477 0.2 1 699 71 70 ALA CB C 17.715 0.2 1 700 71 70 ALA N N 121.610 0.2 1 701 72 71 PHE H H 8.960 0.05 1 702 72 71 PHE HA H 3.958 0.05 1 703 72 71 PHE HB2 H 3.095 0.05 2 704 72 71 PHE HB3 H 2.944 0.05 2 705 72 71 PHE HD1 H 7.044 0.05 1 706 72 71 PHE HD2 H 7.044 0.05 1 707 72 71 PHE C C 177.216 0.2 1 708 72 71 PHE CA C 61.879 0.2 1 709 72 71 PHE CB C 39.472 0.2 1 710 72 71 PHE N N 116.835 0.2 1 711 73 72 ALA H H 7.953 0.05 1 712 73 72 ALA HA H 3.864 0.05 1 713 73 72 ALA HB H 1.545 0.05 1 714 73 72 ALA C C 180.810 0.2 1 715 73 72 ALA CA C 55.692 0.2 1 716 73 72 ALA CB C 17.565 0.2 1 717 73 72 ALA N N 119.544 0.2 1 718 74 73 MET H H 7.819 0.05 1 719 74 73 MET HA H 4.120 0.05 1 720 74 73 MET HB2 H 2.280 0.05 1 721 74 73 MET HB3 H 2.280 0.05 1 722 74 73 MET HG2 H 2.150 0.05 1 723 74 73 MET HG3 H 2.150 0.05 1 724 74 73 MET C C 179.088 0.2 1 725 74 73 MET CA C 59.333 0.2 1 726 74 73 MET CB C 33.228 0.2 1 727 74 73 MET N N 118.458 0.2 1 728 75 74 ILE H H 8.299 0.05 1 729 75 74 ILE HA H 3.368 0.05 1 730 75 74 ILE HB H 1.856 0.05 1 731 75 74 ILE HG2 H 0.654 0.05 1 732 75 74 ILE HD1 H 0.588 0.05 1 733 75 74 ILE C C 176.924 0.2 1 734 75 74 ILE CA C 66.247 0.2 1 735 75 74 ILE CG2 C 16.017 0.2 1 736 75 74 ILE CD1 C 13.893 0.2 1 737 75 74 ILE N N 122.654 0.2 1 738 76 75 ILE H H 8.340 0.05 1 739 76 75 ILE HA H 3.438 0.05 1 740 76 75 ILE HB H 1.747 0.05 1 741 76 75 ILE HG12 H 1.389 0.05 1 742 76 75 ILE HG13 H 1.389 0.05 1 743 76 75 ILE HG2 H 0.898 0.05 1 744 76 75 ILE HD1 H 0.777 0.05 1 745 76 75 ILE C C 177.619 0.2 1 746 76 75 ILE CA C 64.990 0.2 1 747 76 75 ILE CB C 37.348 0.2 1 748 76 75 ILE CG1 C 27.156 0.2 1 749 76 75 ILE CG2 C 17.777 0.2 1 750 76 75 ILE CD1 C 13.791 0.2 1 751 76 75 ILE N N 118.637 0.2 1 752 77 76 GLY H H 7.969 0.05 1 753 77 76 GLY HA2 H 3.844 0.05 1 754 77 76 GLY HA3 H 3.844 0.05 1 755 77 76 GLY C C 176.438 0.2 1 756 77 76 GLY CA C 47.295 0.2 1 757 77 76 GLY N N 105.324 0.2 1 758 78 77 LYS H H 7.646 0.05 1 759 78 77 LYS HA H 4.126 0.05 1 760 78 77 LYS HB2 H 1.850 0.05 1 761 78 77 LYS HB3 H 1.850 0.05 1 762 78 77 LYS HG2 H 1.440 0.05 1 763 78 77 LYS HG3 H 1.440 0.05 1 764 78 77 LYS HD2 H 1.739 0.05 1 765 78 77 LYS HD3 H 1.739 0.05 1 766 78 77 LYS HE2 H 2.837 0.05 1 767 78 77 LYS HE3 H 2.837 0.05 1 768 78 77 LYS C C 178.861 0.2 1 769 78 77 LYS CA C 57.403 0.2 1 770 78 77 LYS CB C 32.078 0.2 1 771 78 77 LYS CE C 42.143 0.2 1 772 78 77 LYS N N 121.791 0.2 1 773 79 78 LEU H H 8.067 0.05 1 774 79 78 LEU HA H 4.748 0.05 1 775 79 78 LEU HB2 H 1.932 0.05 1 776 79 78 LEU HB3 H 1.932 0.05 1 777 79 78 LEU HG H 1.521 0.05 1 778 79 78 LEU HD1 H 0.814 0.05 2 779 79 78 LEU HD2 H 0.854 0.05 2 780 79 78 LEU C C 180.330 0.2 1 781 79 78 LEU CA C 57.779 0.2 1 782 79 78 LEU CB C 41.225 0.2 1 783 79 78 LEU CG C 25.889 0.2 1 784 79 78 LEU CD1 C 25.812 0.2 2 785 79 78 LEU CD2 C 25.350 0.2 2 786 79 78 LEU N N 119.750 0.2 1 787 80 79 GLU H H 8.520 0.05 1 788 80 79 GLU HA H 3.856 0.05 1 789 80 79 GLU HB2 H 2.113 0.05 1 790 80 79 GLU HB3 H 2.113 0.05 1 791 80 79 GLU HG2 H 2.295 0.05 1 792 80 79 GLU HG3 H 2.295 0.05 1 793 80 79 GLU C C 178.468 0.2 1 794 80 79 GLU CA C 58.742 0.2 1 795 80 79 GLU CB C 29.011 0.2 1 796 80 79 GLU CG C 35.036 0.2 1 797 80 79 GLU N N 119.009 0.2 1 798 81 80 GLU H H 7.939 0.2 1 799 81 80 GLU HA H 4.024 0.05 1 800 81 80 GLU HB2 H 2.133 0.05 1 801 81 80 GLU HB3 H 2.133 0.05 1 802 81 80 GLU HG2 H 2.455 0.05 2 803 81 80 GLU HG3 H 2.248 0.05 2 804 81 80 GLU C C 178.690 0.2 1 805 81 80 GLU CA C 59.051 0.2 1 806 81 80 GLU CB C 29.401 0.2 1 807 81 80 GLU CG C 36.262 0.2 1 808 81 80 GLU N N 120.623 0.2 1 809 82 81 ASP H H 7.885 0.05 1 810 82 81 ASP HA H 4.489 0.05 1 811 82 81 ASP HB2 H 2.738 0.05 1 812 82 81 ASP HB3 H 2.738 0.05 1 813 82 81 ASP C C 178.485 0.2 1 814 82 81 ASP CA C 56.679 0.2 1 815 82 81 ASP CB C 40.713 0.2 1 816 82 81 ASP N N 119.567 0.2 1 817 83 82 ILE H H 7.853 0.05 1 818 83 82 ILE HA H 3.894 0.05 1 819 83 82 ILE HB H 1.934 0.05 1 820 83 82 ILE HG12 H 1.116 0.05 1 821 83 82 ILE HG13 H 1.116 0.05 1 822 83 82 ILE HG2 H 0.895 0.05 1 823 83 82 ILE HD1 H 0.864 0.05 1 824 83 82 ILE C C 178.366 0.2 1 825 83 82 ILE CA C 64.077 0.2 1 826 83 82 ILE CB C 38.307 0.2 1 827 83 82 ILE CG1 C 28.345 0.2 1 828 83 82 ILE CG2 C 17.889 0.2 1 829 83 82 ILE CD1 C 13.781 0.2 1 830 83 82 ILE N N 120.582 0.2 1 831 84 83 SER H H 8.354 0.05 1 832 84 83 SER HA H 4.249 0.05 1 833 84 83 SER HB2 H 4.012 0.05 2 834 84 83 SER HB3 H 3.906 0.05 2 835 84 83 SER C C 176.096 0.2 1 836 84 83 SER CA C 60.951 0.2 1 837 84 83 SER CB C 63.127 0.2 1 838 84 83 SER N N 116.795 0.2 1 839 85 84 SER H H 8.199 0.05 1 840 85 84 SER HA H 4.359 0.05 1 841 85 84 SER HB2 H 3.991 0.05 1 842 85 84 SER HB3 H 3.991 0.05 1 843 85 84 SER C C 175.187 0.2 1 844 85 84 SER CA C 60.096 0.2 1 845 85 84 SER CB C 63.306 0.2 1 846 85 84 SER N N 116.300 0.2 1 847 86 85 SER H H 7.877 0.05 1 848 86 85 SER HA H 4.497 0.05 1 849 86 85 SER HB2 H 3.948 0.05 1 850 86 85 SER HB3 H 3.948 0.05 1 851 86 85 SER C C 174.709 0.2 1 852 86 85 SER CA C 59.109 0.2 1 853 86 85 SER CB C 63.846 0.2 1 854 86 85 SER N N 116.288 0.2 1 855 87 86 MET H H 7.877 0.05 1 856 87 86 MET HA H 4.570 0.05 1 857 87 86 MET HB2 H 2.616 0.05 2 858 87 86 MET HB3 H 2.564 0.05 2 859 87 86 MET HG2 H 2.125 0.05 2 860 87 86 MET HG3 H 2.038 0.05 2 861 87 86 MET C C 176.556 0.2 1 862 87 86 MET CA C 55.607 0.2 1 863 87 86 MET CB C 32.024 0.2 1 864 87 86 MET N N 121.336 0.2 1 865 88 87 THR H H 8.053 0.05 1 866 88 87 THR HA H 4.243 0.05 1 867 88 87 THR HB H 4.223 0.05 1 868 88 87 THR HG2 H 1.181 0.05 1 869 88 87 THR C C 174.625 0.2 1 870 88 87 THR CA C 62.757 0.2 1 871 88 87 THR CB C 69.542 0.2 1 872 88 87 THR CG2 C 21.561 0.2 1 873 88 87 THR N N 114.307 0.2 1 874 89 88 ASN H H 8.395 0.05 1 875 89 88 ASN HA H 4.465 0.05 1 876 89 88 ASN HB2 H 2.753 0.05 2 877 89 88 ASN HB3 H 2.880 0.05 2 878 89 88 ASN HD21 H 7.559 0.05 2 879 89 88 ASN HD22 H 6.848 0.05 2 880 89 88 ASN C C 175.199 0.2 1 881 89 88 ASN CA C 53.552 0.2 1 882 89 88 ASN CB C 38.536 0.2 1 883 89 88 ASN N N 119.650 0.2 1 884 89 88 ASN ND2 N 112.385 0.2 1 885 90 89 SER H H 8.151 0.05 1 886 90 89 SER HA H 4.492 0.05 1 887 90 89 SER HB2 H 3.925 0.05 2 888 90 89 SER HB3 H 3.867 0.05 2 889 90 89 SER C C 174.953 0.2 1 890 90 89 SER CA C 58.553 0.2 1 891 90 89 SER CB C 63.917 0.2 1 892 90 89 SER N N 115.265 0.2 1 893 91 90 THR H H 8.161 0.05 1 894 91 90 THR HA H 3.691 0.05 1 895 91 90 THR HB H 4.351 0.05 1 896 91 90 THR HG2 H 1.177 0.05 1 897 91 90 THR C C 174.726 0.2 1 898 91 90 THR CA C 61.734 0.2 1 899 91 90 THR CB C 69.685 0.2 1 900 91 90 THR CG2 C 21.648 0.2 1 901 91 90 THR N N 114.589 0.2 1 902 92 91 ALA H H 8.216 0.05 1 903 92 91 ALA HA H 4.225 0.05 1 904 92 91 ALA HB H 1.378 0.05 1 905 92 91 ALA C C 177.757 0.2 1 906 92 91 ALA CA C 53.339 0.2 1 907 92 91 ALA CB C 18.932 0.2 1 908 92 91 ALA N N 125.305 0.2 1 909 93 92 ALA H H 8.102 0.05 1 910 93 92 ALA HA H 4.256 0.05 1 911 93 92 ALA HB H 1.363 0.05 1 912 93 92 ALA C C 177.647 0.2 1 913 93 92 ALA CA C 52.924 0.2 1 914 93 92 ALA CB C 19.133 0.2 1 915 93 92 ALA N N 121.345 0.2 1 916 94 93 SER H H 7.873 0.05 1 917 94 93 SER HA H 4.433 0.05 1 918 94 93 SER HB2 H 3.797 0.05 1 919 94 93 SER HB3 H 3.797 0.05 1 920 94 93 SER C C 173.762 0.2 1 921 94 93 SER CA C 57.753 0.2 1 922 94 93 SER CB C 63.798 0.2 1 923 94 93 SER N N 113.298 0.2 1 924 95 94 ARG H H 8.197 0.05 1 925 95 94 ARG HA H 4.562 0.05 1 926 95 94 ARG HB2 H 1.756 0.05 1 927 95 94 ARG HB3 H 1.756 0.05 1 928 95 94 ARG HG2 H 1.659 0.05 1 929 95 94 ARG HG3 H 1.659 0.05 1 930 95 94 ARG HD2 H 3.143 0.05 1 931 95 94 ARG HD3 H 3.143 0.05 1 932 95 94 ARG HE H 7.170 0.05 1 933 95 94 ARG CA C 54.035 0.2 1 934 95 94 ARG N N 123.795 0.2 1 935 95 94 ARG NE N 84.297 0.2 1 936 97 96 PRO HA H 4.655 0.05 1 937 97 96 PRO HB2 H 1.914 0.05 1 938 97 96 PRO HB3 H 1.914 0.05 1 939 97 96 PRO HG2 H 1.828 0.05 1 940 97 96 PRO HG3 H 1.828 0.05 1 941 97 96 PRO HD2 H 3.365 0.05 1 942 97 96 PRO HD3 H 3.365 0.05 1 943 97 96 PRO C C 176.526 0.2 1 944 97 96 PRO CA C 62.067 0.2 1 945 97 96 PRO CB C 31.515 0.2 1 946 97 96 PRO CG C 26.374 0.2 1 947 97 96 PRO CD C 50.028 0.2 1 948 98 97 VAL H H 8.165 0.05 1 949 98 97 VAL HA H 3.975 0.05 1 950 98 97 VAL HB H 1.966 0.05 1 951 98 97 VAL HG1 H 0.828 0.05 2 952 98 97 VAL HG2 H 0.917 0.05 2 953 98 97 VAL C C 174.319 0.2 1 954 98 97 VAL CA C 62.627 0.2 1 955 98 97 VAL CB C 32.899 0.2 1 956 98 97 VAL CG1 C 22.139 0.2 2 957 98 97 VAL CG2 C 21.950 0.2 2 958 98 97 VAL N N 120.457 0.2 1 959 99 98 THR H H 7.959 0.05 1 960 99 98 THR HA H 3.948 0.05 1 961 99 98 THR HB H 3.841 0.05 1 962 99 98 THR HG1 H 5.173 0.05 1 963 99 98 THR HG2 H 1.027 0.05 1 964 99 98 THR C C 173.278 0.2 1 965 99 98 THR CA C 61.548 0.2 1 966 99 98 THR CB C 70.997 0.2 1 967 99 98 THR CG2 C 20.964 0.2 1 968 99 98 THR N N 119.074 0.2 1 969 100 99 LEU H H 9.365 0.05 1 970 100 99 LEU HA H 4.688 0.05 1 971 100 99 LEU HB2 H 1.744 0.05 1 972 100 99 LEU HB3 H 1.744 0.05 1 973 100 99 LEU HG H 1.536 0.05 1 974 100 99 LEU HD1 H 0.801 0.05 2 975 100 99 LEU HD2 H 0.770 0.05 2 976 100 99 LEU C C 174.786 0.2 1 977 100 99 LEU CA C 53.232 0.2 1 978 100 99 LEU CB C 45.675 0.2 1 979 100 99 LEU CD1 C 25.278 0.2 2 980 100 99 LEU CD2 C 25.747 0.2 2 981 100 99 LEU N N 126.222 0.2 1 982 101 100 ARG H H 9.127 0.2 1 983 101 100 ARG HA H 5.246 0.05 1 984 101 100 ARG HB2 H 1.573 0.05 1 985 101 100 ARG HB3 H 1.573 0.05 1 986 101 100 ARG HG2 H 1.478 0.05 1 987 101 100 ARG HG3 H 1.478 0.05 1 988 101 100 ARG HD2 H 3.109 0.05 1 989 101 100 ARG HD3 H 3.109 0.05 1 990 101 100 ARG HE H 6.910 0.05 1 991 101 100 ARG HH11 H 6.901 0.05 2 992 101 100 ARG HH12 H 6.901 0.05 2 993 101 100 ARG HH21 H 6.892 0.05 2 994 101 100 ARG HH22 H 6.892 0.05 2 995 101 100 ARG C C 174.307 0.2 1 996 101 100 ARG CA C 54.760 0.2 1 997 101 100 ARG CB C 32.171 0.2 1 998 101 100 ARG CG C 27.507 0.2 1 999 101 100 ARG CD C 43.389 0.2 1 1000 101 100 ARG N N 120.965 0.2 1 1001 101 100 ARG NE N 84.297 0.2 1 1002 102 101 LEU H H 9.011 0.05 1 1003 102 101 LEU HA H 4.962 0.05 1 1004 102 101 LEU HB2 H 1.633 0.05 1 1005 102 101 LEU HB3 H 1.633 0.05 1 1006 102 101 LEU HG H 1.309 0.05 1 1007 102 101 LEU HD1 H 0.872 0.05 2 1008 102 101 LEU HD2 H 0.784 0.05 2 1009 102 101 LEU C C 175.962 0.2 1 1010 102 101 LEU CA C 53.945 0.2 1 1011 102 101 LEU CB C 44.540 0.2 1 1012 102 101 LEU CG C 27.379 0.2 1 1013 102 101 LEU CD1 C 23.630 0.2 2 1014 102 101 LEU CD2 C 23.536 0.2 2 1015 102 101 LEU N N 125.406 0.2 1 1016 103 102 VAL H H 8.596 0.05 1 1017 103 102 VAL HA H 4.500 0.05 1 1018 103 102 VAL HG1 H 0.687 0.05 1 1019 103 102 VAL C C 175.996 0.2 1 1020 103 102 VAL CA C 63.003 0.2 1 1021 103 102 VAL CB C 33.283 0.2 1 1022 103 102 VAL N N 123.778 0.2 1 1023 104 103 VAL H H 8.560 0.05 1 1024 104 103 VAL HB H 1.868 0.05 1 1025 104 103 VAL HG1 H 0.323 0.05 2 1026 104 103 VAL HG2 H 0.674 0.05 2 1027 104 103 VAL CA C 67.419 0.2 1 1028 104 103 VAL CG1 C 20.792 0.2 2 1029 104 103 VAL CG2 C 19.545 0.2 2 1030 104 103 VAL N N 118.947 0.2 1 1031 105 104 PRO HA H 4.542 0.05 1 1032 105 104 PRO HB2 H 2.003 0.05 1 1033 105 104 PRO HB3 H 2.003 0.05 1 1034 105 104 PRO HG2 H 1.857 0.05 1 1035 105 104 PRO HG3 H 1.857 0.05 1 1036 105 104 PRO HD2 H 2.477 0.05 1 1037 105 104 PRO HD3 H 2.477 0.05 1 1038 105 104 PRO C C 178.437 0.2 1 1039 105 104 PRO CA C 63.044 0.2 1 1040 105 104 PRO CB C 32.434 0.2 1 1041 105 104 PRO CG C 27.756 0.2 1 1042 105 104 PRO CD C 51.088 0.2 1 1043 106 105 ALA H H 9.156 0.05 1 1044 106 105 ALA HA H 3.958 0.05 1 1045 106 105 ALA HB H 1.366 0.05 1 1046 106 105 ALA C C 180.700 0.2 1 1047 106 105 ALA CA C 55.943 0.2 1 1048 106 105 ALA CB C 18.070 0.2 1 1049 106 105 ALA N N 128.171 0.2 1 1050 107 106 SER H H 8.858 0.05 1 1051 107 106 SER HA H 4.742 0.05 1 1052 107 106 SER HB2 H 3.972 0.05 2 1053 107 106 SER HB3 H 3.881 0.05 2 1054 107 106 SER C C 176.139 0.2 1 1055 107 106 SER CA C 60.451 0.2 1 1056 107 106 SER CB C 62.093 0.2 1 1057 107 106 SER N N 112.248 0.2 1 1058 108 107 GLN H H 7.485 0.05 1 1059 108 107 GLN HA H 4.550 0.05 1 1060 108 107 GLN HB2 H 1.897 0.05 1 1061 108 107 GLN HB3 H 1.897 0.05 1 1062 108 107 GLN HG2 H 2.386 0.05 1 1063 108 107 GLN HG3 H 2.386 0.05 1 1064 108 107 GLN HE21 H 7.378 0.05 2 1065 108 107 GLN HE22 H 6.743 0.05 2 1066 108 107 GLN C C 178.719 0.2 1 1067 108 107 GLN CA C 56.418 0.2 1 1068 108 107 GLN CB C 30.138 0.2 1 1069 108 107 GLN CG C 34.597 0.2 1 1070 108 107 GLN N N 120.062 0.2 1 1071 108 107 GLN NE2 N 110.281 0.2 1 1072 109 108 CYS H H 7.704 0.05 1 1073 109 108 CYS HA H 4.096 0.05 1 1074 109 108 CYS HB2 H 2.752 0.05 2 1075 109 108 CYS HB3 H 2.931 0.05 2 1076 109 108 CYS C C 176.060 0.2 1 1077 109 108 CYS CA C 63.302 0.2 1 1078 109 108 CYS CB C 27.227 0.2 1 1079 109 108 CYS N N 116.672 0.2 1 1080 110 109 GLY H H 8.465 0.05 1 1081 110 109 GLY HA2 H 3.910 0.05 2 1082 110 109 GLY HA3 H 3.759 0.05 2 1083 110 109 GLY C C 176.540 0.2 1 1084 110 109 GLY CA C 47.583 0.2 1 1085 110 109 GLY N N 107.884 0.2 1 1086 111 110 SER H H 7.908 0.05 1 1087 111 110 SER HA H 4.259 0.05 1 1088 111 110 SER HB2 H 3.838 0.05 1 1089 111 110 SER HB3 H 3.838 0.05 1 1090 111 110 SER C C 174.890 0.2 1 1091 111 110 SER CA C 60.455 0.2 1 1092 111 110 SER CB C 62.860 0.2 1 1093 111 110 SER N N 116.568 0.2 1 1094 112 111 LEU H H 7.439 0.05 1 1095 112 111 LEU HA H 5.092 0.05 1 1096 112 111 LEU HB2 H 1.663 0.05 1 1097 112 111 LEU HB3 H 1.663 0.05 1 1098 112 111 LEU HG H 1.483 0.05 1 1099 112 111 LEU HD1 H 0.739 0.05 2 1100 112 111 LEU HD2 H 0.727 0.05 2 1101 112 111 LEU C C 175.830 0.2 1 1102 112 111 LEU CA C 56.838 0.2 1 1103 112 111 LEU CB C 42.704 0.2 1 1104 112 111 LEU CD1 C 24.481 0.2 2 1105 112 111 LEU CD2 C 23.954 0.2 2 1106 112 111 LEU N N 120.040 0.2 1 1107 113 112 ILE H H 7.500 0.05 1 1108 113 112 ILE HA H 4.078 0.05 1 1109 113 112 ILE HB H 1.933 0.05 1 1110 113 112 ILE HG12 H 1.132 0.05 1 1111 113 112 ILE HG13 H 1.132 0.05 1 1112 113 112 ILE HG2 H 0.941 0.05 1 1113 113 112 ILE HD1 H 0.752 0.05 1 1114 113 112 ILE C C 177.936 0.2 1 1115 113 112 ILE CA C 62.504 0.2 1 1116 113 112 ILE CB C 39.084 0.2 1 1117 113 112 ILE CG1 C 30.251 0.2 1 1118 113 112 ILE CG2 C 17.948 0.00 1 1119 113 112 ILE CD1 C 12.991 0.2 1 1120 113 112 ILE N N 111.218 0.2 1 1121 114 113 GLY H H 7.687 0.05 1 1122 114 113 GLY HA2 H 3.954 0.05 2 1123 114 113 GLY HA3 H 4.126 0.05 2 1124 114 113 GLY C C 174.209 0.2 1 1125 114 113 GLY CA C 44.768 0.2 1 1126 114 113 GLY N N 107.253 0.2 1 1127 115 114 LYS H H 8.907 0.05 1 1128 115 114 LYS HA H 4.086 0.05 1 1129 115 114 LYS HB2 H 1.812 0.05 1 1130 115 114 LYS HB3 H 1.812 0.05 1 1131 115 114 LYS HG2 H 1.428 0.05 1 1132 115 114 LYS HG3 H 1.428 0.05 1 1133 115 114 LYS HD2 H 1.660 0.05 1 1134 115 114 LYS HD3 H 1.660 0.05 1 1135 115 114 LYS C C 179.153 0.2 1 1136 115 114 LYS CA C 57.803 0.2 1 1137 115 114 LYS CB C 31.533 0.2 1 1138 115 114 LYS CG C 24.738 0.2 1 1139 115 114 LYS CD C 28.925 0.2 1 1140 115 114 LYS CE C 42.066 0.2 1 1141 115 114 LYS N N 122.916 0.2 1 1142 116 115 GLY H H 9.126 0.05 1 1143 116 115 GLY HA2 H 3.916 0.05 2 1144 116 115 GLY HA3 H 3.878 0.05 2 1145 116 115 GLY C C 175.322 0.2 1 1146 116 115 GLY CA C 46.480 0.2 1 1147 116 115 GLY N N 114.010 0.2 1 1148 117 116 GLY H H 7.985 0.05 1 1149 117 116 GLY HA3 H 4.016 0.05 2 1150 117 116 GLY C C 176.494 0.2 1 1151 117 116 GLY CA C 46.199 0.2 1 1152 117 116 GLY N N 107.254 0.2 1 1153 118 117 CYS H H 7.559 0.05 1 1154 118 117 CYS HA H 4.236 0.05 1 1155 118 117 CYS HB2 H 3.059 0.05 1 1156 118 117 CYS HB3 H 3.059 0.05 1 1157 118 117 CYS C C 176.054 0.2 1 1158 118 117 CYS CA C 60.933 0.2 1 1159 118 117 CYS CB C 27.203 0.2 1 1160 118 117 CYS N N 117.288 0.2 1 1161 119 118 LYS H H 8.538 0.05 1 1162 119 118 LYS HA H 4.226 0.05 1 1163 119 118 LYS HB2 H 1.822 0.05 1 1164 119 118 LYS HB3 H 1.822 0.05 1 1165 119 118 LYS HG2 H 1.430 0.05 1 1166 119 118 LYS HG3 H 1.430 0.05 1 1167 119 118 LYS HD2 H 1.647 0.05 1 1168 119 118 LYS HD3 H 1.647 0.05 1 1169 119 118 LYS HE2 H 2.948 0.05 1 1170 119 118 LYS HE3 H 2.948 0.05 1 1171 119 118 LYS C C 178.095 0.2 1 1172 119 118 LYS CA C 57.693 0.2 1 1173 119 118 LYS CB C 31.700 0.2 1 1174 119 118 LYS CG C 24.609 0.2 1 1175 119 118 LYS CD C 28.770 0.2 1 1176 119 118 LYS CE C 41.503 0.2 1 1177 119 118 LYS N N 123.480 0.2 1 1178 120 119 ILE H H 7.601 0.05 1 1179 120 119 ILE HA H 3.979 0.05 1 1180 120 119 ILE HG12 H 1.120 0.05 1 1181 120 119 ILE HG13 H 1.120 0.05 1 1182 120 119 ILE HG2 H 0.950 0.05 1 1183 120 119 ILE HD1 H 0.720 0.05 1 1184 120 119 ILE C C 177.177 0.2 1 1185 120 119 ILE CA C 63.828 0.2 1 1186 120 119 ILE CB C 36.820 0.2 1 1187 120 119 ILE CG1 C 27.156 0.2 1 1188 120 119 ILE CG2 C 17.496 0.2 1 1189 120 119 ILE CD1 C 12.839 0.2 1 1190 120 119 ILE N N 119.413 0.2 1 1191 121 120 LYS H H 7.674 0.05 1 1192 121 120 LYS HA H 3.981 0.05 1 1193 121 120 LYS HB2 H 1.862 0.05 1 1194 121 120 LYS HB3 H 1.862 0.05 1 1195 121 120 LYS HG2 H 1.445 0.05 1 1196 121 120 LYS HG3 H 1.445 0.05 1 1197 121 120 LYS HD2 H 1.656 0.05 1 1198 121 120 LYS HD3 H 1.656 0.05 1 1199 121 120 LYS HE2 H 2.960 0.05 1 1200 121 120 LYS HE3 H 2.960 0.05 1 1201 121 120 LYS C C 177.950 0.2 1 1202 121 120 LYS CA C 60.181 0.2 1 1203 121 120 LYS CB C 32.709 0.2 1 1204 121 120 LYS CG C 24.558 0.2 1 1205 121 120 LYS CD C 29.118 0.2 1 1206 121 120 LYS CE C 42.027 0.2 1 1207 121 120 LYS N N 121.867 0.2 1 1208 122 121 GLU H H 7.609 0.05 1 1209 122 121 GLU HA H 3.832 0.05 1 1210 122 121 GLU HB2 H 2.207 0.05 1 1211 122 121 GLU HB3 H 2.207 0.05 1 1212 122 121 GLU HG2 H 2.416 0.05 1 1213 122 121 GLU HG3 H 2.416 0.05 1 1214 122 121 GLU C C 179.759 0.2 1 1215 122 121 GLU CA C 59.232 0.2 1 1216 122 121 GLU CB C 29.312 0.2 1 1217 122 121 GLU CG C 36.145 0.2 1 1218 122 121 GLU N N 118.942 0.2 1 1219 123 122 ILE H H 8.251 0.05 1 1220 123 122 ILE HA H 4.684 0.05 1 1221 123 122 ILE HB H 1.630 0.05 1 1222 123 122 ILE HG12 H 1.305 0.05 1 1223 123 122 ILE HG13 H 1.305 0.05 1 1224 123 122 ILE HG2 H 0.840 0.05 1 1225 123 122 ILE HD1 H 0.706 0.05 1 1226 123 122 ILE C C 175.376 0.2 1 1227 123 122 ILE CA C 65.442 0.2 1 1228 123 122 ILE CB C 39.125 0.2 1 1229 123 122 ILE CG2 C 18.891 0.2 1 1230 123 122 ILE CD1 C 13.352 0.2 1 1231 123 122 ILE N N 121.367 0.2 1 1232 124 123 ARG H H 8.590 0.05 1 1233 124 123 ARG HA H 4.080 0.05 1 1234 124 123 ARG HB2 H 1.982 0.05 1 1235 124 123 ARG HB3 H 1.982 0.05 1 1236 124 123 ARG HG2 H 1.803 0.05 2 1237 124 123 ARG HG3 H 1.676 0.05 2 1238 124 123 ARG HD2 H 3.206 0.05 1 1239 124 123 ARG HD3 H 3.206 0.05 1 1240 124 123 ARG HE H 7.202 0.05 1 1241 124 123 ARG HH11 H 7.207 0.05 2 1242 124 123 ARG HH12 H 7.207 0.05 2 1243 124 123 ARG HH21 H 7.194 0.05 2 1244 124 123 ARG HH22 H 7.194 0.05 2 1245 124 123 ARG C C 179.362 0.2 1 1246 124 123 ARG CA C 60.164 0.2 1 1247 124 123 ARG CB C 31.037 0.2 1 1248 124 123 ARG CD C 44.192 0.2 1 1249 124 123 ARG N N 123.440 0.2 1 1250 124 123 ARG NE N 85.249 0.2 1 1251 125 124 GLU H H 8.379 0.05 1 1252 125 124 GLU HA H 4.013 0.05 1 1253 125 124 GLU HB2 H 1.992 0.05 2 1254 125 124 GLU HB3 H 2.042 0.05 2 1255 125 124 GLU HG2 H 2.486 0.05 2 1256 125 124 GLU HG3 H 2.266 0.05 2 1257 125 124 GLU C C 178.748 0.2 1 1258 125 124 GLU CA C 59.139 0.2 1 1259 125 124 GLU CB C 29.294 0.2 1 1260 125 124 GLU CG C 36.757 0.2 1 1261 125 124 GLU N N 118.171 0.2 1 1262 126 125 SER H H 8.326 0.05 1 1263 126 125 SER HA H 4.269 0.05 1 1264 126 125 SER HB2 H 4.018 0.05 1 1265 126 125 SER HB3 H 4.018 0.05 1 1266 126 125 SER C C 176.637 0.2 1 1267 126 125 SER CA C 60.497 0.2 1 1268 126 125 SER CB C 63.508 0.2 1 1269 126 125 SER N N 112.262 0.2 1 1270 127 126 THR H H 7.774 0.05 1 1271 127 126 THR HA H 3.963 0.05 1 1272 127 126 THR HB H 4.290 0.05 1 1273 127 126 THR HG1 H 4.756 0.05 1 1274 127 126 THR HG2 H 1.154 0.05 1 1275 127 126 THR C C 176.381 0.2 1 1276 127 126 THR CA C 62.921 0.2 1 1277 127 126 THR CB C 72.042 0.2 1 1278 127 126 THR CG2 C 38.404 0.2 1 1279 127 126 THR N N 107.828 0.2 1 1280 128 127 GLY H H 8.127 0.05 1 1281 128 127 GLY HA2 H 4.226 0.05 2 1282 128 127 GLY HA3 H 3.842 0.05 2 1283 128 127 GLY C C 173.808 0.2 1 1284 128 127 GLY CA C 45.901 0.2 1 1285 128 127 GLY N N 111.182 0.2 1 1286 129 128 ALA H H 7.849 0.05 1 1287 129 128 ALA HA H 4.453 0.05 1 1288 129 128 ALA HB H 1.024 0.05 1 1289 129 128 ALA C C 176.782 0.2 1 1290 129 128 ALA CA C 51.635 0.2 1 1291 129 128 ALA CB C 19.152 0.2 1 1292 129 128 ALA N N 122.915 0.2 1 1293 130 129 GLN H H 8.802 0.05 1 1294 130 129 GLN HA H 4.443 0.05 1 1295 130 129 GLN HB2 H 2.002 0.05 1 1296 130 129 GLN HB3 H 2.002 0.05 1 1297 130 129 GLN HG2 H 2.318 0.05 1 1298 130 129 GLN HG3 H 2.318 0.05 1 1299 130 129 GLN HE21 H 7.447 0.05 2 1300 130 129 GLN HE22 H 6.722 0.05 2 1301 130 129 GLN C C 175.704 0.2 1 1302 130 129 GLN CA C 55.308 0.2 1 1303 130 129 GLN CB C 30.708 0.2 1 1304 130 129 GLN CG C 33.666 0.2 1 1305 130 129 GLN N N 119.670 0.2 1 1306 130 129 GLN NE2 N 112.024 0.2 1 1307 131 130 VAL H H 7.952 0.05 1 1308 131 130 VAL HA H 5.111 0.05 1 1309 131 130 VAL HB H 1.699 0.05 1 1310 131 130 VAL HG1 H 0.704 0.05 2 1311 131 130 VAL HG2 H 0.684 0.05 2 1312 131 130 VAL C C 174.608 0.2 1 1313 131 130 VAL CA C 60.435 0.2 1 1314 131 130 VAL CB C 34.857 0.2 1 1315 131 130 VAL CG1 C 21.190 0.2 2 1316 131 130 VAL CG2 C 22.057 0.2 2 1317 131 130 VAL N N 123.397 0.2 1 1318 132 131 GLN H H 8.832 0.05 1 1319 132 131 GLN HA H 4.629 0.05 1 1320 132 131 GLN HG2 H 2.207 0.05 1 1321 132 131 GLN HG3 H 2.207 0.05 1 1322 132 131 GLN HE21 H 7.403 0.05 2 1323 132 131 GLN HE22 H 6.771 0.05 2 1324 132 131 GLN C C 174.024 0.2 1 1325 132 131 GLN CA C 54.367 0.2 1 1326 132 131 GLN CB C 30.161 0.2 1 1327 132 131 GLN CG C 33.445 0.2 1 1328 132 131 GLN N N 125.092 0.2 1 1329 132 131 GLN NE2 N 111.436 0.2 1 1330 133 132 VAL H H 8.972 0.05 1 1331 133 132 VAL HA H 4.204 0.05 1 1332 133 132 VAL HB H 1.930 0.05 1 1333 133 132 VAL HG1 H 0.857 0.05 2 1334 133 132 VAL HG2 H 0.788 0.05 2 1335 133 132 VAL C C 175.506 0.2 1 1336 133 132 VAL CA C 62.201 0.2 1 1337 133 132 VAL CB C 31.983 0.2 1 1338 133 132 VAL CG1 C 21.017 0.2 2 1339 133 132 VAL CG2 C 21.163 0.2 2 1340 133 132 VAL N N 125.281 0.2 1 1341 134 133 ALA H H 8.516 0.05 1 1342 134 133 ALA HA H 4.339 0.05 1 1343 134 133 ALA HB H 1.565 0.05 1 1344 134 133 ALA C C 178.257 0.2 1 1345 134 133 ALA CA C 52.860 0.2 1 1346 134 133 ALA CB C 20.273 0.2 1 1347 134 133 ALA N N 131.145 0.2 1 1348 135 134 GLY H H 8.673 0.05 1 1349 135 134 GLY HA2 H 3.955 0.05 2 1350 135 134 GLY HA3 H 3.787 0.05 2 1351 135 134 GLY C C 173.611 0.2 1 1352 135 134 GLY CA C 45.882 0.2 1 1353 135 134 GLY N N 108.712 0.2 1 1354 136 135 ASP H H 7.971 0.05 1 1355 136 135 ASP HA H 4.658 0.05 1 1356 136 135 ASP HB2 H 2.611 0.05 2 1357 136 135 ASP HB3 H 2.471 0.05 2 1358 136 135 ASP C C 175.408 0.2 1 1359 136 135 ASP CA C 53.133 0.2 1 1360 136 135 ASP CB C 41.967 0.2 1 1361 136 135 ASP N N 118.482 0.2 1 1362 137 136 MET H H 8.378 0.05 1 1363 137 136 MET HA H 4.456 0.05 1 1364 137 136 MET HB2 H 2.552 0.05 2 1365 137 136 MET HB3 H 2.345 0.05 2 1366 137 136 MET HG2 H 1.342 0.05 1 1367 137 136 MET HG3 H 1.342 0.05 1 1368 137 136 MET C C 176.504 0.2 1 1369 137 136 MET CA C 55.314 0.2 1 1370 137 136 MET CB C 32.845 0.2 1 1371 137 136 MET CG C 33.309 0.2 1 1372 137 136 MET CE C 19.265 0.2 1 1373 137 136 MET N N 119.224 0.2 1 1374 138 137 LEU H H 8.330 0.05 1 1375 138 137 LEU HA H 4.398 0.05 1 1376 138 137 LEU HB2 H 1.581 0.05 1 1377 138 137 LEU HB3 H 1.581 0.05 1 1378 138 137 LEU HG H 1.495 0.05 1 1379 138 137 LEU HD1 H 0.736 0.05 2 1380 138 137 LEU HD2 H 0.779 0.05 2 1381 138 137 LEU CA C 53.815 0.2 1 1382 138 137 LEU CD1 C 25.931 0.2 2 1383 138 137 LEU CD2 C 26.005 0.2 2 1384 138 137 LEU N N 124.304 0.2 1 1385 139 138 PRO HA H 4.225 0.05 1 1386 139 138 PRO HB2 H 2.210 0.05 2 1387 139 138 PRO HB3 H 1.970 0.05 2 1388 139 138 PRO HG2 H 1.797 0.05 1 1389 139 138 PRO HG3 H 1.797 0.05 1 1390 139 138 PRO C C 176.775 0.2 1 1391 139 138 PRO CA C 63.911 0.2 1 1392 139 138 PRO CB C 31.877 0.2 1 1393 139 138 PRO CG C 27.314 0.2 1 1394 139 138 PRO CD C 50.241 0.2 1 1395 140 139 ASN H H 8.585 0.05 1 1396 140 139 ASN HA H 4.433 0.05 1 1397 140 139 ASN HB2 H 2.781 0.05 2 1398 140 139 ASN HB3 H 2.918 0.05 2 1399 140 139 ASN HD21 H 7.598 0.05 2 1400 140 139 ASN HD22 H 6.890 0.05 2 1401 140 139 ASN C C 174.481 0.2 1 1402 140 139 ASN CA C 53.663 0.2 1 1403 140 139 ASN CB C 37.847 0.2 1 1404 140 139 ASN N N 115.877 0.2 1 1405 140 139 ASN ND2 N 112.802 0.2 1 1406 141 140 SER H H 7.920 0.05 1 1407 141 140 SER HA H 4.245 0.05 1 1408 141 140 SER HB2 H 3.677 0.05 2 1409 141 140 SER HB3 H 3.889 0.05 2 1410 141 140 SER C C 174.173 0.2 1 1411 141 140 SER CA C 58.147 0.2 1 1412 141 140 SER CB C 65.275 0.2 1 1413 141 140 SER N N 113.617 0.2 1 1414 142 141 THR H H 8.355 0.05 1 1415 142 141 THR HA H 4.538 0.05 1 1416 142 141 THR HB H 3.791 0.05 1 1417 142 141 THR HG1 H 4.735 0.05 1 1418 142 141 THR HG2 H 1.156 0.05 1 1419 142 141 THR C C 174.593 0.2 1 1420 142 141 THR CA C 61.155 0.2 1 1421 142 141 THR CB C 68.502 0.2 1 1422 142 141 THR CG2 C 21.726 0.2 1 1423 142 141 THR N N 111.196 0.2 1 1424 143 142 GLU H H 8.201 0.05 1 1425 143 142 GLU HA H 4.755 0.05 1 1426 143 142 GLU HB2 H 1.894 0.05 1 1427 143 142 GLU HB3 H 1.894 0.05 1 1428 143 142 GLU HG2 H 2.092 0.05 1 1429 143 142 GLU HG3 H 2.092 0.05 1 1430 143 142 GLU C C 174.603 0.2 1 1431 143 142 GLU CA C 55.547 0.2 1 1432 143 142 GLU CB C 33.241 0.2 1 1433 143 142 GLU CG C 36.964 0.2 1 1434 143 142 GLU N N 121.539 0.2 1 1435 144 143 ARG H H 8.897 0.05 1 1436 144 143 ARG HA H 4.723 0.05 1 1437 144 143 ARG HB2 H 1.478 0.05 1 1438 144 143 ARG HB3 H 1.478 0.05 1 1439 144 143 ARG HG2 H 1.645 0.05 1 1440 144 143 ARG HG3 H 1.645 0.05 1 1441 144 143 ARG HD2 H 3.158 0.05 1 1442 144 143 ARG HD3 H 3.158 0.05 1 1443 144 143 ARG HE H 7.297 0.05 1 1444 144 143 ARG HH11 H 6.776 0.05 1 1445 144 143 ARG HH12 H 6.776 0.05 1 1446 144 143 ARG HH21 H 6.677 0.05 1 1447 144 143 ARG HH22 H 6.677 0.05 1 1448 144 143 ARG C C 173.661 0.2 1 1449 144 143 ARG CA C 53.923 0.2 1 1450 144 143 ARG CB C 34.527 0.2 1 1451 144 143 ARG CG C 27.499 0.2 1 1452 144 143 ARG CD C 44.308 0.2 1 1453 144 143 ARG N N 118.573 0.2 1 1454 144 143 ARG NE N 84.812 0.2 1 1455 145 144 ALA H H 8.744 0.05 1 1456 145 144 ALA HA H 4.191 0.05 1 1457 145 144 ALA HB H 1.123 0.05 1 1458 145 144 ALA C C 176.740 0.2 1 1459 145 144 ALA CA C 50.439 0.2 1 1460 145 144 ALA CB C 19.994 0.2 1 1461 145 144 ALA N N 122.903 0.2 1 1462 146 145 ILE H H 9.415 0.05 1 1463 146 145 ILE HA H 4.689 0.05 1 1464 146 145 ILE HB H 1.747 0.05 1 1465 146 145 ILE HG12 H 1.466 0.05 1 1466 146 145 ILE HG13 H 1.466 0.05 1 1467 146 145 ILE HG2 H 0.649 0.05 1 1468 146 145 ILE HD1 H 0.607 0.05 1 1469 146 145 ILE C C 175.700 0.2 1 1470 146 145 ILE CA C 59.962 0.2 1 1471 146 145 ILE CB C 39.965 0.2 1 1472 146 145 ILE CG2 C 17.579 0.2 1 1473 146 145 ILE CD1 C 13.690 0.2 1 1474 146 145 ILE N N 123.630 0.2 1 1475 147 146 THR H H 9.097 0.05 1 1476 147 146 THR HA H 5.086 0.05 1 1477 147 146 THR HB H 3.991 0.05 1 1478 147 146 THR HG1 H 4.656 0.05 1 1479 147 146 THR HG2 H 1.037 0.05 1 1480 147 146 THR C C 173.813 0.2 1 1481 147 146 THR CA C 62.564 0.2 1 1482 147 146 THR CB C 69.391 0.2 1 1483 147 146 THR CG2 C 21.754 0.2 1 1484 147 146 THR N N 123.605 0.2 1 1485 148 147 ILE H H 9.248 0.05 1 1486 148 147 ILE HA H 4.999 0.05 1 1487 148 147 ILE HB H 1.522 0.05 1 1488 148 147 ILE HG2 H 0.830 0.05 1 1489 148 147 ILE HD1 H 0.658 0.05 1 1490 148 147 ILE C C 173.567 0.2 1 1491 148 147 ILE CA C 60.003 0.2 1 1492 148 147 ILE CB C 41.421 0.2 1 1493 148 147 ILE CG1 C 27.133 0.2 1 1494 148 147 ILE CG2 C 19.722 0.2 1 1495 148 147 ILE CD1 C 15.511 0.2 1 1496 148 147 ILE N N 127.248 0.2 1 1497 149 148 ALA H H 8.816 0.05 1 1498 149 148 ALA HA H 4.370 0.05 1 1499 149 148 ALA HB H 1.254 0.05 1 1500 149 148 ALA C C 176.660 0.2 1 1501 149 148 ALA CA C 50.076 0.2 1 1502 149 148 ALA CB C 23.786 0.2 1 1503 149 148 ALA N N 127.374 0.2 1 1504 150 149 GLY H H 8.227 0.05 1 1505 150 149 GLY HA2 H 3.994 0.05 2 1506 150 149 GLY HA3 H 3.865 0.05 2 1507 150 149 GLY C C 172.391 0.2 1 1508 150 149 GLY CA C 45.136 0.2 1 1509 150 149 GLY N N 106.433 0.2 1 1510 151 150 ILE H H 8.187 0.05 1 1511 151 150 ILE HA H 4.264 0.05 1 1512 151 150 ILE HB H 1.766 0.05 1 1513 151 150 ILE HG12 H 1.357 0.05 1 1514 151 150 ILE HG13 H 1.357 0.05 1 1515 151 150 ILE HG2 H 0.819 0.05 1 1516 151 150 ILE HD1 H 0.943 0.05 1 1517 151 150 ILE CA C 60.721 0.2 1 1518 151 150 ILE CD1 C 13.481 0.2 1 1519 151 150 ILE N N 115.507 0.2 1 1520 152 151 PRO HA H 3.817 0.05 1 1521 152 151 PRO HB2 H 2.143 0.05 1 1522 152 151 PRO HB3 H 2.143 0.05 1 1523 152 151 PRO HG2 H 1.651 0.05 1 1524 152 151 PRO HG3 H 1.651 0.05 1 1525 152 151 PRO HD2 H 2.198 0.05 1 1526 152 151 PRO HD3 H 2.198 0.05 1 1527 152 151 PRO C C 177.101 0.2 1 1528 152 151 PRO CA C 67.773 0.2 1 1529 152 151 PRO CB C 31.477 0.2 1 1530 152 151 PRO CG C 27.773 0.2 1 1531 152 151 PRO CD C 49.999 0.2 1 1532 153 152 GLN H H 8.946 0.05 1 1533 153 152 GLN HA H 3.926 0.05 1 1534 153 152 GLN HB2 H 1.911 0.05 1 1535 153 152 GLN HB3 H 1.911 0.05 1 1536 153 152 GLN HG2 H 2.410 0.05 1 1537 153 152 GLN HG3 H 2.410 0.05 1 1538 153 152 GLN HE21 H 7.633 0.05 2 1539 153 152 GLN HE22 H 6.795 0.05 2 1540 153 152 GLN C C 178.238 0.2 1 1541 153 152 GLN CA C 59.438 0.2 1 1542 153 152 GLN CB C 28.099 0.2 1 1543 153 152 GLN CG C 33.631 0.2 1 1544 153 152 GLN N N 114.292 0.2 1 1545 153 152 GLN NE2 N 112.350 0.2 1 1546 154 153 SER H H 7.202 0.05 1 1547 154 153 SER HA H 4.329 0.05 1 1548 154 153 SER HB2 H 3.728 0.05 2 1549 154 153 SER HB3 H 3.880 0.05 2 1550 154 153 SER C C 175.935 0.2 1 1551 154 153 SER CA C 61.679 0.2 1 1552 154 153 SER CB C 63.298 0.2 1 1553 154 153 SER N N 114.428 0.2 1 1554 155 154 ILE H H 7.795 0.05 1 1555 155 154 ILE HA H 3.333 0.05 1 1556 155 154 ILE HB H 1.715 0.05 1 1557 155 154 ILE HG12 H 1.322 0.05 1 1558 155 154 ILE HG13 H 1.322 0.05 1 1559 155 154 ILE HG2 H 0.731 0.05 1 1560 155 154 ILE HD1 H 0.634 0.05 1 1561 155 154 ILE C C 177.850 0.2 1 1562 155 154 ILE CA C 65.484 0.2 1 1563 155 154 ILE CB C 37.974 0.2 1 1564 155 154 ILE CG1 C 27.553 0.2 1 1565 155 154 ILE CG2 C 17.904 0.2 1 1566 155 154 ILE CD1 C 13.717 0.2 1 1567 155 154 ILE N N 120.610 0.2 1 1568 156 155 ILE H H 8.154 0.05 1 1569 156 155 ILE HA H 3.849 0.05 1 1570 156 155 ILE HB H 1.794 0.05 1 1571 156 155 ILE HG2 H 0.850 0.05 1 1572 156 155 ILE HD1 H 0.776 0.05 1 1573 156 155 ILE C C 177.246 0.2 1 1574 156 155 ILE CA C 65.439 0.2 1 1575 156 155 ILE CB C 39.051 0.2 1 1576 156 155 ILE CG1 C 26.891 0.2 1 1577 156 155 ILE CG2 C 17.540 0.2 1 1578 156 155 ILE CD1 C 12.527 0.2 1 1579 156 155 ILE N N 119.073 0.2 1 1580 157 156 GLU H H 7.626 0.05 1 1581 157 156 GLU HA H 3.907 0.05 1 1582 157 156 GLU HB2 H 1.994 0.05 1 1583 157 156 GLU HB3 H 1.994 0.05 1 1584 157 156 GLU HG2 H 2.437 0.05 2 1585 157 156 GLU HG3 H 2.343 0.05 2 1586 157 156 GLU C C 178.402 0.2 1 1587 157 156 GLU CA C 58.884 0.2 1 1588 157 156 GLU CB C 28.635 0.2 1 1589 157 156 GLU CG C 35.821 0.2 1 1590 157 156 GLU N N 117.873 0.2 1 1591 158 157 CYS H H 8.217 0.05 1 1592 158 157 CYS HA H 4.213 0.05 1 1593 158 157 CYS HB3 H 2.909 0.05 1 1594 158 157 CYS C C 179.568 0.2 1 1595 158 157 CYS CA C 63.002 0.2 1 1596 158 157 CYS N N 119.150 0.2 1 1597 159 158 VAL H H 8.574 0.05 1 1598 159 158 VAL HB H 1.679 0.05 1 1599 159 158 VAL HG1 H 0.651 0.05 2 1600 159 158 VAL HG2 H 0.657 0.05 2 1601 159 158 VAL C C 175.937 0.2 1 1602 159 158 VAL CA C 62.099 0.2 1 1603 159 158 VAL CB C 32.403 0.2 1 1604 159 158 VAL CG1 C 22.096 0.2 2 1605 159 158 VAL CG2 C 22.011 0.2 2 1606 159 158 VAL N N 123.520 0.2 1 1607 160 159 LYS H H 8.940 0.05 1 1608 160 159 LYS HA H 4.523 0.05 1 1609 160 159 LYS HB2 H 1.760 0.05 1 1610 160 159 LYS HB3 H 1.760 0.05 1 1611 160 159 LYS HG2 H 1.505 0.05 1 1612 160 159 LYS HG3 H 1.505 0.05 1 1613 160 159 LYS HD2 H 1.608 0.05 1 1614 160 159 LYS HD3 H 1.608 0.05 1 1615 160 159 LYS HE2 H 2.924 0.05 1 1616 160 159 LYS HE3 H 2.924 0.05 1 1617 160 159 LYS C C 176.989 0.2 1 1618 160 159 LYS CA C 57.971 0.2 1 1619 160 159 LYS CB C 34.428 0.2 1 1620 160 159 LYS CG C 24.571 0.2 1 1621 160 159 LYS CD C 29.196 0.2 1 1622 160 159 LYS CE C 41.435 0.2 1 1623 160 159 LYS N N 123.532 0.2 1 1624 161 160 GLN H H 7.685 0.05 1 1625 161 160 GLN HA H 4.674 0.05 1 1626 161 160 GLN HG2 H 2.560 0.05 2 1627 161 160 GLN HG3 H 2.263 0.05 2 1628 161 160 GLN HE21 H 7.364 0.05 2 1629 161 160 GLN HE22 H 6.690 0.05 2 1630 161 160 GLN C C 179.459 0.2 1 1631 161 160 GLN CA C 59.675 0.2 1 1632 161 160 GLN CB C 29.844 0.2 1 1633 161 160 GLN CG C 33.880 0.2 1 1634 161 160 GLN N N 116.546 0.2 1 1635 161 160 GLN NE2 N 110.562 0.2 1 1636 162 161 ILE H H 8.494 0.05 1 1637 162 161 ILE HA H 3.516 0.05 1 1638 162 161 ILE HB H 1.867 0.05 1 1639 162 161 ILE HG12 H 1.452 0.05 1 1640 162 161 ILE HG13 H 1.452 0.05 1 1641 162 161 ILE HG2 H 0.784 0.05 1 1642 162 161 ILE HD1 H 0.647 0.05 1 1643 162 161 ILE C C 177.561 0.2 1 1644 162 161 ILE CA C 65.742 0.2 1 1645 162 161 ILE CG1 C 26.189 0.2 1 1646 162 161 ILE CG2 C 16.687 0.2 1 1647 162 161 ILE CD1 C 14.208 0.2 1 1648 162 161 ILE N N 120.494 0.2 1 1649 163 162 CYS H H 8.487 0.05 1 1650 163 162 CYS HA H 4.365 0.05 1 1651 163 162 CYS HB2 H 3.242 0.05 2 1652 163 162 CYS HB3 H 2.748 0.05 2 1653 163 162 CYS HG H 2.804 0.05 1 1654 163 162 CYS C C 176.343 0.2 1 1655 163 162 CYS CA C 64.685 0.2 1 1656 163 162 CYS CB C 32.356 0.2 1 1657 163 162 CYS N N 116.977 0.2 1 1658 164 163 VAL H H 7.635 0.05 1 1659 164 163 VAL HA H 3.662 0.05 1 1660 164 163 VAL HB H 2.138 0.05 1 1661 164 163 VAL HG1 H 1.032 0.05 2 1662 164 163 VAL HG2 H 0.867 0.05 2 1663 164 163 VAL C C 178.295 0.2 1 1664 164 163 VAL CA C 66.573 0.2 1 1665 164 163 VAL CB C 30.375 0.2 1 1666 164 163 VAL CG1 C 22.508 0.2 2 1667 164 163 VAL CG2 C 21.252 0.2 2 1668 164 163 VAL N N 117.867 0.2 1 1669 165 164 VAL H H 7.477 0.05 1 1670 165 164 VAL HA H 3.749 0.05 1 1671 165 164 VAL HB H 2.161 0.05 1 1672 165 164 VAL HG1 H 0.996 0.05 2 1673 165 164 VAL HG2 H 0.841 0.05 2 1674 165 164 VAL C C 178.841 0.2 1 1675 165 164 VAL CA C 65.631 0.2 1 1676 165 164 VAL CB C 31.256 0.2 1 1677 165 164 VAL CG1 C 22.535 0.2 2 1678 165 164 VAL CG2 C 21.609 0.2 2 1679 165 164 VAL N N 118.875 0.2 1 1680 166 165 MET H H 8.064 0.05 1 1681 166 165 MET HA H 4.154 0.05 1 1682 166 165 MET HB2 H 2.431 0.05 1 1683 166 165 MET HB3 H 2.431 0.05 1 1684 166 165 MET HG2 H 2.745 0.05 1 1685 166 165 MET HG3 H 2.745 0.05 1 1686 166 165 MET C C 177.429 0.2 1 1687 166 165 MET CA C 58.459 0.2 1 1688 166 165 MET CB C 32.461 0.2 1 1689 166 165 MET N N 117.695 0.2 1 1690 167 166 LEU H H 7.673 0.05 1 1691 167 166 LEU HA H 4.271 0.05 1 1692 167 166 LEU HB2 H 1.800 0.05 1 1693 167 166 LEU HB3 H 1.800 0.05 1 1694 167 166 LEU HG H 1.555 0.05 1 1695 167 166 LEU HD1 H 0.820 0.05 2 1696 167 166 LEU HD2 H 0.806 0.05 2 1697 167 166 LEU C C 177.690 0.2 1 1698 167 166 LEU CA C 55.961 0.2 1 1699 167 166 LEU CB C 42.758 0.2 1 1700 167 166 LEU CD1 C 25.256 0.2 2 1701 167 166 LEU CD2 C 23.130 0.2 2 1702 167 166 LEU N N 118.058 0.2 1 1703 168 167 GLU H H 7.759 0.05 1 1704 168 167 GLU HA H 4.358 0.05 1 1705 168 167 GLU HB2 H 2.112 0.05 2 1706 168 167 GLU HB3 H 2.026 0.05 2 1707 168 167 GLU HG2 H 2.424 0.05 2 1708 168 167 GLU HG3 H 2.244 0.05 2 1709 168 167 GLU C C 175.963 0.2 1 1710 168 167 GLU CA C 56.715 0.2 1 1711 168 167 GLU CB C 29.721 0.2 1 1712 168 167 GLU CG C 36.240 0.2 1 1713 168 167 GLU N N 119.094 0.2 1 1714 169 168 THR H H 7.579 0.05 1 1715 169 168 THR HA H 4.231 0.05 1 1716 169 168 THR HG2 H 1.151 0.05 1 1717 169 168 THR CA C 63.664 0.2 1 1718 169 168 THR N N 119.456 0.2 1 stop_ save_