data_25239 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Chemical Shift Assignments of La-RRM1 of La protein. ; _BMRB_accession_number 25239 _BMRB_flat_file_name bmr25239.str _Entry_type original _Submission_date 2014-09-19 _Accession_date 2014-09-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'La-RRM1 domain of La protein recombinant expressed in E.coli and studied through NMR spectroscopy' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bouras Georgios . . 2 Argyriou Aikaterini I. . 3 Apostolidi Maria . . 4 Chasapis Christos T. . 5 Stathopoulos Constantinos . . 6 Bentrop Detlef . . 7 Spyroulias Georgios A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 962 "13C chemical shifts" 822 "15N chemical shifts" 195 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-17 update author 'update chemical shifts' 2016-09-22 update BMRB 'update entry citation' 2015-06-04 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18620 'NMR Chemical Shift Assignments of N terminal RRM domain of La protein' 18621 'NMR Chemical Shift Assignments of N terminal La motif domain of La protein' stop_ _Original_release_date 2015-06-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N backbone and side-chain resonance assignment of the LAM-RRM1 N-terminal module of La protein from Dictyostelium discoideum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25687647 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chasapis Christos T. . 2 Argyriou Aikaterini I. . 3 Apostolidi Maria . . 4 Konstantinidou Parthena . . 5 Bentrop Detlef . . 6 Stathopoulos Constantinos . . 7 Spyroulias Georgios A. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 303 _Page_last 307 _Year 2015 _Details . loop_ _Keyword 'La protein' 'RNA binding protein' 'RNA polymerase III' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name La-RRM1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function "Binds to the 3' poly(U) terminii of nascent RNA polymerase III transcripts" stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common La-RRM1 _Molecular_mass 22032.90 _Mol_thiol_state 'all free' loop_ _Biological_function RNA-binding 'tRNA modification' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 191 _Mol_residue_sequence ; MSEETSTQILKQVEYYFSDS NFPRDKFLRSEAAKNVDNYI SIDVIASFNRMKTISTDLQL ITEALKKSTRLQVSEDGKMV RRLDPLPENIDCGKTLYSKG WPEDTTIEKVQEFFNANGGY KVVSVRLRKKSDKSFKGSFL ADFETEEIVNKIITEAPKLG EKELIYQTFKQFSDEKKDEK EKFFASTNGDK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLU 4 GLU 5 THR 6 SER 7 THR 8 GLN 9 ILE 10 LEU 11 LYS 12 GLN 13 VAL 14 GLU 15 TYR 16 TYR 17 PHE 18 SER 19 ASP 20 SER 21 ASN 22 PHE 23 PRO 24 ARG 25 ASP 26 LYS 27 PHE 28 LEU 29 ARG 30 SER 31 GLU 32 ALA 33 ALA 34 LYS 35 ASN 36 VAL 37 ASP 38 ASN 39 TYR 40 ILE 41 SER 42 ILE 43 ASP 44 VAL 45 ILE 46 ALA 47 SER 48 PHE 49 ASN 50 ARG 51 MET 52 LYS 53 THR 54 ILE 55 SER 56 THR 57 ASP 58 LEU 59 GLN 60 LEU 61 ILE 62 THR 63 GLU 64 ALA 65 LEU 66 LYS 67 LYS 68 SER 69 THR 70 ARG 71 LEU 72 GLN 73 VAL 74 SER 75 GLU 76 ASP 77 GLY 78 LYS 79 MET 80 VAL 81 ARG 82 ARG 83 LEU 84 ASP 85 PRO 86 LEU 87 PRO 88 GLU 89 ASN 90 ILE 91 ASP 92 CYS 93 GLY 94 LYS 95 THR 96 LEU 97 TYR 98 SER 99 LYS 100 GLY 101 TRP 102 PRO 103 GLU 104 ASP 105 THR 106 THR 107 ILE 108 GLU 109 LYS 110 VAL 111 GLN 112 GLU 113 PHE 114 PHE 115 ASN 116 ALA 117 ASN 118 GLY 119 GLY 120 TYR 121 LYS 122 VAL 123 VAL 124 SER 125 VAL 126 ARG 127 LEU 128 ARG 129 LYS 130 LYS 131 SER 132 ASP 133 LYS 134 SER 135 PHE 136 LYS 137 GLY 138 SER 139 PHE 140 LEU 141 ALA 142 ASP 143 PHE 144 GLU 145 THR 146 GLU 147 GLU 148 ILE 149 VAL 150 ASN 151 LYS 152 ILE 153 ILE 154 THR 155 GLU 156 ALA 157 PRO 158 LYS 159 LEU 160 GLY 161 GLU 162 LYS 163 GLU 164 LEU 165 ILE 166 TYR 167 GLN 168 THR 169 PHE 170 LYS 171 GLN 172 PHE 173 SER 174 ASP 175 GLU 176 LYS 177 LYS 178 ASP 179 GLU 180 LYS 181 GLU 182 LYS 183 PHE 184 PHE 185 ALA 186 SER 187 THR 188 ASN 189 GLY 190 ASP 191 LYS 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 $entity 'cellular slime molds' 44689 Eukaryota . Dictyostelium discoideum stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli 'Escherichia coli BL21(DE3)' pET 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 $entity 0,5 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0,5 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 700 _Details 'equipped with Cryoprobe' 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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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 7 . 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 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D HNHA' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 8.18 0.02 1 2 1 1 MET HA H 4.21 0.02 1 3 1 1 MET HB2 H 2.03 0.02 2 4 1 1 MET HB3 H 1.93 0.02 2 5 1 1 MET C C 176.5 0.3 1 6 1 1 MET CA C 56.7 0.3 1 7 1 1 MET CB C 30.2 0.3 1 8 1 1 MET CG C 29.0 0.3 1 9 1 1 MET N N 121.3 0.3 1 10 2 2 SER H H 7.99 0.02 1 11 2 2 SER HA H 4.38 0.02 1 12 2 2 SER HB2 H 4.24 0.02 2 13 2 2 SER HB3 H 4.18 0.02 2 14 2 2 SER CA C 61.9 0.3 1 15 2 2 SER CB C 69.8 0.3 1 16 2 2 SER N N 115.4 0.3 1 17 3 3 GLU H H 8.05 0.02 1 18 3 3 GLU HA H 4.36 0.02 1 19 3 3 GLU HB2 H 2.01 0.02 2 20 3 3 GLU HB3 H 1.95 0.02 2 21 3 3 GLU C C 177.3 0.3 1 22 3 3 GLU CA C 57.4 0.3 1 23 3 3 GLU CB C 30.3 0.3 1 24 3 3 GLU CG C 36.2 0.3 1 25 3 3 GLU N N 126.3 0.3 1 26 4 4 GLU H H 8.71 0.02 1 27 4 4 GLU HA H 4.27 0.02 1 28 4 4 GLU HB2 H 2.04 0.02 2 29 4 4 GLU HB3 H 2.08 0.02 2 30 4 4 GLU HG2 H 2.37 0.02 2 31 4 4 GLU HG3 H 2.28 0.02 2 32 4 4 GLU C C 178.2 0.3 1 33 4 4 GLU CA C 58.2 0.3 1 34 4 4 GLU CB C 29.7 0.3 1 35 4 4 GLU CG C 36.3 0.3 1 36 4 4 GLU N N 122.4 0.3 1 37 5 5 THR H H 8.23 0.02 1 38 5 5 THR HA H 3.93 0.02 1 39 5 5 THR HB H 4.13 0.02 1 40 5 5 THR HG2 H 1.29 0.02 1 41 5 5 THR C C 176.3 0.3 1 42 5 5 THR CA C 66.9 0.3 1 43 5 5 THR CB C 68.5 0.3 1 44 5 5 THR CG2 C 22.5 0.3 1 45 5 5 THR N N 119.2 0.3 1 46 6 6 SER H H 8.51 0.02 1 47 6 6 SER HA H 3.97 0.02 1 48 6 6 SER C C 176.0 0.3 1 49 6 6 SER CA C 62.8 0.3 1 50 6 6 SER CB C 62.1 0.3 1 51 6 6 SER N N 116.8 0.3 1 52 7 7 THR H H 7.70 0.02 1 53 7 7 THR HA H 3.96 0.02 1 54 7 7 THR HB H 4.32 0.02 1 55 7 7 THR HG2 H 1.25 0.02 1 56 7 7 THR C C 175.9 0.3 1 57 7 7 THR CA C 66.4 0.3 1 58 7 7 THR CB C 68.4 0.3 1 59 7 7 THR CG2 C 21.6 0.3 1 60 7 7 THR N N 118.6 0.3 1 61 8 8 GLN H H 7.90 0.02 1 62 8 8 GLN HA H 3.99 0.02 1 63 8 8 GLN HB2 H 2.11 0.02 2 64 8 8 GLN HB3 H 2.32 0.02 2 65 8 8 GLN HG2 H 2.53 0.02 2 66 8 8 GLN HG3 H 2.39 0.02 2 67 8 8 GLN HE21 H 6.98 0.02 1 68 8 8 GLN HE22 H 7.28 0.02 1 69 8 8 GLN C C 179.6 0.3 1 70 8 8 GLN CA C 59.4 0.3 1 71 8 8 GLN CB C 28.9 0.3 1 72 8 8 GLN CG C 34.0 0.3 1 73 8 8 GLN N N 121.7 0.3 1 74 8 8 GLN NE2 N 114.1 0.3 1 75 9 9 ILE H H 8.31 0.02 1 76 9 9 ILE HA H 3.54 0.02 1 77 9 9 ILE HB H 2.02 0.02 1 78 9 9 ILE HG12 H 1.80 0.02 2 79 9 9 ILE HG13 H 1.04 0.02 2 80 9 9 ILE HG2 H 0.93 0.02 1 81 9 9 ILE HD1 H 0.76 0.02 1 82 9 9 ILE C C 176.8 0.3 1 83 9 9 ILE CA C 64.7 0.3 1 84 9 9 ILE CB C 37.7 0.3 1 85 9 9 ILE CG1 C 28.7 0.3 1 86 9 9 ILE CG2 C 18.9 0.3 1 87 9 9 ILE CD1 C 13.9 0.3 1 88 9 9 ILE N N 120.6 0.3 1 89 10 10 LEU H H 7.92 0.02 1 90 10 10 LEU HA H 3.83 0.02 1 91 10 10 LEU HB2 H 1.84 0.02 2 92 10 10 LEU HB3 H 1.64 0.02 2 93 10 10 LEU HG H 2.07 0.02 1 94 10 10 LEU HD1 H 0.91 0.02 1 95 10 10 LEU HD2 H 0.93 0.02 1 96 10 10 LEU C C 175.6 0.3 1 97 10 10 LEU CA C 58.9 0.3 1 98 10 10 LEU CB C 41.9 0.3 1 99 10 10 LEU CG C 29.1 0.3 1 100 10 10 LEU CD1 C 27.3 0.3 1 101 10 10 LEU CD2 C 25.1 0.3 1 102 10 10 LEU N N 120.2 0.3 1 103 11 11 LYS H H 8.27 0.02 1 104 11 11 LYS HA H 4.00 0.02 1 105 11 11 LYS HB2 H 2.04 0.02 2 106 11 11 LYS HB3 H 1.91 0.02 2 107 11 11 LYS HG2 H 1.42 0.02 2 108 11 11 LYS HG3 H 1.45 0.02 2 109 11 11 LYS HD2 H 1.67 0.02 2 110 11 11 LYS HD3 H 1.64 0.02 2 111 11 11 LYS HE2 H 3.02 0.02 2 112 11 11 LYS HE3 H 2.92 0.02 2 113 11 11 LYS C C 179.9 0.3 1 114 11 11 LYS CA C 59.2 0.3 1 115 11 11 LYS CB C 32.4 0.3 1 116 11 11 LYS CG C 25.0 0.3 1 117 11 11 LYS CD C 29.1 0.3 1 118 11 11 LYS CE C 41.9 0.3 1 119 11 11 LYS N N 117.1 0.3 1 120 12 12 GLN H H 7.83 0.02 1 121 12 12 GLN HA H 3.92 0.02 1 122 12 12 GLN HB2 H 2.14 0.02 2 123 12 12 GLN HB3 H 2.05 0.02 2 124 12 12 GLN HG2 H 1.96 0.02 2 125 12 12 GLN HG3 H 2.10 0.02 2 126 12 12 GLN HE21 H 7.49 0.02 1 127 12 12 GLN HE22 H 6.82 0.02 1 128 12 12 GLN C C 177.4 0.3 1 129 12 12 GLN CA C 58.0 0.3 1 130 12 12 GLN CB C 28.4 0.3 1 131 12 12 GLN CG C 34.1 0.3 1 132 12 12 GLN N N 120.1 0.3 1 133 12 12 GLN NE2 N 113.1 0.3 1 134 13 13 VAL H H 8.51 0.02 1 135 13 13 VAL HA H 4.12 0.02 1 136 13 13 VAL HB H 2.08 0.02 1 137 13 13 VAL HG1 H 1.30 0.02 1 138 13 13 VAL HG2 H 1.30 0.02 1 139 13 13 VAL C C 178.9 0.3 1 140 13 13 VAL CA C 67.1 0.3 1 141 13 13 VAL CB C 30.9 0.3 1 142 13 13 VAL CG1 C 22.9 0.3 1 143 13 13 VAL CG2 C 24.7 0.3 1 144 13 13 VAL N N 119.2 0.3 1 145 14 14 GLU H H 8.94 0.02 1 146 14 14 GLU HA H 3.95 0.02 1 147 14 14 GLU HB2 H 1.91 0.02 2 148 14 14 GLU HB3 H 2.20 0.02 2 149 14 14 GLU C C 180.0 0.3 1 150 14 14 GLU CA C 61.2 0.3 1 151 14 14 GLU CB C 28.2 0.3 1 152 14 14 GLU CG C 38.4 0.3 1 153 14 14 GLU N N 118.9 0.3 1 154 15 15 TYR H H 7.75 0.02 1 155 15 15 TYR HA H 4.28 0.02 1 156 15 15 TYR HB2 H 3.14 0.02 2 157 15 15 TYR HB3 H 3.09 0.02 2 158 15 15 TYR C C 179.9 0.3 1 159 15 15 TYR CA C 62.1 0.3 1 160 15 15 TYR CB C 36.7 0.3 1 161 15 15 TYR CD1 C 131.0 0.3 1 162 15 15 TYR CE1 C 118.1 0.3 1 163 15 15 TYR N N 119.8 0.3 1 164 16 16 TYR H H 7.94 0.02 1 165 16 16 TYR HA H 4.32 0.02 1 166 16 16 TYR HB2 H 3.25 0.02 2 167 16 16 TYR HB3 H 2.90 0.02 2 168 16 16 TYR HD1 H 6.97 0.02 3 169 16 16 TYR HD2 H 6.89 0.02 3 170 16 16 TYR C C 178.0 0.3 1 171 16 16 TYR CA C 59.4 0.3 1 172 16 16 TYR CB C 36.8 0.3 1 173 16 16 TYR CD1 C 119.6 0.3 1 174 16 16 TYR CD2 C 119.0 0.3 1 175 16 16 TYR CE1 C 130.4 0.3 1 176 16 16 TYR N N 121.2 0.3 1 177 17 17 PHE H H 7.48 0.02 1 178 17 17 PHE HA H 4.38 0.02 1 179 17 17 PHE HB2 H 3.21 0.02 2 180 17 17 PHE HB3 H 2.63 0.02 2 181 17 17 PHE HZ H 7.14 0.02 1 182 17 17 PHE C C 174.6 0.3 1 183 17 17 PHE CA C 60.0 0.3 1 184 17 17 PHE CB C 40.5 0.3 1 185 17 17 PHE CD1 C 131.5 0.3 1 186 17 17 PHE CE1 C 133.1 0.3 1 187 17 17 PHE CZ C 131.7 0.3 1 188 17 17 PHE N N 112.8 0.3 1 189 18 18 SER H H 7.83 0.02 1 190 18 18 SER HA H 4.41 0.02 1 191 18 18 SER HB2 H 4.32 0.02 2 192 18 18 SER HB3 H 4.51 0.02 2 193 18 18 SER CA C 59.0 0.3 1 194 18 18 SER CB C 65.4 0.3 1 195 18 18 SER N N 119.6 0.3 1 196 19 19 ASP HA H 4.34 0.02 1 197 19 19 ASP HB2 H 3.07 0.02 2 198 19 19 ASP HB3 H 2.98 0.02 2 199 19 19 ASP C C 176.6 0.3 1 200 19 19 ASP CA C 57.2 0.3 1 201 19 19 ASP CB C 39.4 0.3 1 202 20 20 SER H H 7.61 0.02 1 203 20 20 SER HA H 4.38 0.02 1 204 20 20 SER HB2 H 3.94 0.02 2 205 20 20 SER HB3 H 3.74 0.02 2 206 20 20 SER C C 173.7 0.3 1 207 20 20 SER CA C 60.2 0.3 1 208 20 20 SER CB C 63.3 0.3 1 209 20 20 SER N N 112.0 0.3 1 210 21 21 ASN H H 7.37 0.02 1 211 21 21 ASN HA H 4.83 0.02 1 212 21 21 ASN HB2 H 1.90 0.02 2 213 21 21 ASN HB3 H 2.67 0.02 2 214 21 21 ASN HD21 H 7.63 0.02 1 215 21 21 ASN HD22 H 6.76 0.02 1 216 21 21 ASN C C 175.3 0.3 1 217 21 21 ASN CA C 56.0 0.3 1 218 21 21 ASN CB C 43.2 0.3 1 219 21 21 ASN N N 117.4 0.3 1 220 21 21 ASN ND2 N 112.7 0.3 1 221 22 22 PHE H H 8.51 0.02 1 222 22 22 PHE HA H 4.34 0.02 1 223 22 22 PHE CA C 52.0 0.3 1 224 22 22 PHE CB C 39.4 0.3 1 225 22 22 PHE CD1 C 132.2 0.3 1 226 22 22 PHE CE1 C 129.7 0.3 1 227 22 22 PHE N N 121.7 0.3 1 228 23 23 PRO HA H 4.13 0.02 1 229 23 23 PRO HD2 H 3.44 0.02 2 230 23 23 PRO HD3 H 4.05 0.02 2 231 23 23 PRO C C 177.2 0.3 1 232 23 23 PRO CA C 65.9 0.3 1 233 23 23 PRO CB C 31.4 0.3 1 234 23 23 PRO CG C 28.5 0.3 1 235 23 23 PRO CD C 50.7 0.3 1 236 24 24 ARG H H 6.99 0.02 1 237 24 24 ARG HA H 4.43 0.02 1 238 24 24 ARG HB2 H 2.00 0.02 2 239 24 24 ARG HB3 H 1.79 0.02 2 240 24 24 ARG HG2 H 1.60 0.02 2 241 24 24 ARG HG3 H 1.53 0.02 2 242 24 24 ARG C C 174.6 0.3 1 243 24 24 ARG CA C 54.7 0.3 1 244 24 24 ARG CB C 30.5 0.3 1 245 24 24 ARG CG C 26.9 0.3 1 246 24 24 ARG CD C 43.2 0.3 1 247 24 24 ARG N N 111.9 0.3 1 248 25 25 ASP H H 7.40 0.02 1 249 25 25 ASP HA H 4.58 0.02 1 250 25 25 ASP C C 174.6 0.3 1 251 25 25 ASP CA C 53.3 0.3 1 252 25 25 ASP CB C 41.0 0.3 1 253 25 25 ASP N N 123.9 0.3 1 254 26 26 LYS H H 8.24 0.02 1 255 26 26 LYS HA H 3.76 0.02 1 256 26 26 LYS HB2 H 1.84 0.02 2 257 26 26 LYS HB3 H 1.90 0.02 2 258 26 26 LYS HG2 H 1.52 0.02 2 259 26 26 LYS HG3 H 1.48 0.02 2 260 26 26 LYS C C 179.0 0.3 1 261 26 26 LYS CA C 59.6 0.3 1 262 26 26 LYS CB C 32.3 0.3 1 263 26 26 LYS CG C 25.0 0.3 1 264 26 26 LYS CD C 29.1 0.3 1 265 26 26 LYS CE C 41.9 0.3 1 266 26 26 LYS N N 125.9 0.3 1 267 27 27 PHE H H 8.25 0.02 1 268 27 27 PHE HA H 4.34 0.02 1 269 27 27 PHE HB2 H 3.25 0.02 2 270 27 27 PHE HB3 H 3.09 0.02 2 271 27 27 PHE C C 174.2 0.3 1 272 27 27 PHE CA C 61.1 0.3 1 273 27 27 PHE CB C 38.9 0.3 1 274 27 27 PHE CD1 C 131.4 0.3 1 275 27 27 PHE CE1 C 132.5 0.3 1 276 27 27 PHE N N 120.7 0.3 1 277 28 28 LEU H H 8.30 0.02 1 278 28 28 LEU HA H 3.69 0.02 1 279 28 28 LEU HB2 H 1.47 0.02 2 280 28 28 LEU HB3 H 1.24 0.02 2 281 28 28 LEU HG H 1.79 0.02 1 282 28 28 LEU HD1 H 0.58 0.02 1 283 28 28 LEU HD2 H 0.66 0.02 1 284 28 28 LEU C C 179.3 0.3 1 285 28 28 LEU CA C 57.7 0.3 1 286 28 28 LEU CB C 41.2 0.3 1 287 28 28 LEU CG C 27.5 0.3 1 288 28 28 LEU CD1 C 26.4 0.3 1 289 28 28 LEU CD2 C 22.8 0.3 1 290 28 28 LEU N N 120.7 0.3 1 291 29 29 ARG H H 8.36 0.02 1 292 29 29 ARG HA H 3.75 0.02 1 293 29 29 ARG HB2 H 1.76 0.02 2 294 29 29 ARG HB3 H 1.69 0.02 2 295 29 29 ARG HG2 H 1.52 0.02 2 296 29 29 ARG HG3 H 1.17 0.02 2 297 29 29 ARG C C 179.8 0.3 1 298 29 29 ARG CA C 59.4 0.3 1 299 29 29 ARG CB C 29.4 0.3 1 300 29 29 ARG CG C 26.9 0.3 1 301 29 29 ARG CD C 42.8 0.3 1 302 29 29 ARG N N 117.4 0.3 1 303 30 30 SER H H 7.75 0.02 1 304 30 30 SER HA H 4.20 0.02 1 305 30 30 SER C C 176.8 0.3 1 306 30 30 SER CA C 61.4 0.3 1 307 30 30 SER CB C 62.2 0.3 1 308 30 30 SER N N 116.5 0.3 1 309 31 31 GLU H H 7.87 0.02 1 310 31 31 GLU HA H 3.90 0.02 1 311 31 31 GLU HB2 H 2.06 0.02 2 312 31 31 GLU HB3 H 2.00 0.02 2 313 31 31 GLU HG2 H 1.77 0.02 2 314 31 31 GLU HG3 H 1.80 0.02 2 315 31 31 GLU C C 180.0 0.3 1 316 31 31 GLU CA C 58.7 0.3 1 317 31 31 GLU CB C 29.9 0.3 1 318 31 31 GLU CG C 36.3 0.3 1 319 31 31 GLU N N 123.0 0.3 1 320 32 32 ALA H H 8.46 0.02 1 321 32 32 ALA HA H 3.94 0.02 1 322 32 32 ALA HB H 1.63 0.02 1 323 32 32 ALA C C 178.2 0.3 1 324 32 32 ALA CA C 54.9 0.3 1 325 32 32 ALA CB C 17.9 0.3 1 326 32 32 ALA N N 124.5 0.3 1 327 33 33 ALA H H 7.23 0.02 1 328 33 33 ALA HA H 4.30 0.02 1 329 33 33 ALA HB H 1.49 0.02 1 330 33 33 ALA C C 178.6 0.3 1 331 33 33 ALA CA C 53.0 0.3 1 332 33 33 ALA CB C 18.2 0.3 1 333 33 33 ALA N N 115.5 0.3 1 334 34 34 LYS H H 7.28 0.02 1 335 34 34 LYS HA H 4.14 0.02 1 336 34 34 LYS HB2 H 2.06 0.02 2 337 34 34 LYS HB3 H 1.88 0.02 2 338 34 34 LYS HG2 H 1.40 0.02 2 339 34 34 LYS HG3 H 1.48 0.02 2 340 34 34 LYS HD2 H 1.67 0.02 2 341 34 34 LYS HD3 H 1.71 0.02 2 342 34 34 LYS HE2 H 2.81 0.02 2 343 34 34 LYS HE3 H 2.94 0.02 2 344 34 34 LYS C C 175.6 0.3 1 345 34 34 LYS CA C 57.8 0.3 1 346 34 34 LYS CB C 33.5 0.3 1 347 34 34 LYS CG C 24.5 0.3 1 348 34 34 LYS CD C 29.5 0.3 1 349 34 34 LYS CE C 42.2 0.3 1 350 34 34 LYS N N 116.6 0.3 1 351 35 35 ASN H H 7.71 0.02 1 352 35 35 ASN HA H 5.15 0.02 1 353 35 35 ASN HB2 H 2.97 0.02 2 354 35 35 ASN HB3 H 2.83 0.02 2 355 35 35 ASN HD21 H 6.82 0.02 1 356 35 35 ASN HD22 H 7.66 0.02 1 357 35 35 ASN C C 176.5 0.3 1 358 35 35 ASN CA C 52.4 0.3 1 359 35 35 ASN CB C 44.0 0.3 1 360 35 35 ASN N N 118.1 0.3 1 361 35 35 ASN ND2 N 113.4 0.3 1 362 36 36 VAL H H 8.70 0.02 1 363 36 36 VAL HA H 3.98 0.02 1 364 36 36 VAL HB H 2.19 0.02 1 365 36 36 VAL HG1 H 0.94 0.02 1 366 36 36 VAL HG2 H 1.00 0.02 1 367 36 36 VAL CA C 64.6 0.3 1 368 36 36 VAL CB C 32.1 0.3 1 369 36 36 VAL CG1 C 20.1 0.3 1 370 36 36 VAL CG2 C 20.5 0.3 1 371 36 36 VAL N N 124.1 0.3 1 372 37 37 ASP HA H 3.96 0.02 1 373 37 37 ASP HB2 H 2.67 0.02 2 374 37 37 ASP HB3 H 2.71 0.02 2 375 37 37 ASP C C 174.8 0.3 1 376 37 37 ASP CA C 54.6 0.3 1 377 37 37 ASP CB C 42.6 0.3 1 378 38 38 ASN H H 8.10 0.02 1 379 38 38 ASN HA H 4.72 0.02 1 380 38 38 ASN HB2 H 3.20 0.02 2 381 38 38 ASN HB3 H 3.03 0.02 2 382 38 38 ASN HD21 H 6.86 0.02 1 383 38 38 ASN HD22 H 7.26 0.02 1 384 38 38 ASN C C 173.9 0.3 1 385 38 38 ASN CA C 54.7 0.3 1 386 38 38 ASN CB C 37.4 0.3 1 387 38 38 ASN N N 112.2 0.3 1 388 38 38 ASN ND2 N 113.3 0.3 1 389 39 39 TYR H H 7.88 0.02 1 390 39 39 TYR HA H 4.38 0.02 1 391 39 39 TYR HD1 H 6.92 0.02 1 392 39 39 TYR C C 176.3 0.3 1 393 39 39 TYR CA C 59.9 0.3 1 394 39 39 TYR CB C 40.9 0.3 1 395 39 39 TYR CD1 C 133.3 0.3 1 396 39 39 TYR CE1 C 118.2 0.3 1 397 39 39 TYR N N 116.2 0.3 1 398 40 40 ILE H H 9.32 0.02 1 399 40 40 ILE HA H 4.24 0.02 1 400 40 40 ILE HB H 1.91 0.02 1 401 40 40 ILE HG2 H 1.05 0.02 1 402 40 40 ILE HD1 H 1.16 0.02 1 403 40 40 ILE C C 175.6 0.3 1 404 40 40 ILE CA C 60.3 0.3 1 405 40 40 ILE CB C 41.8 0.3 1 406 40 40 ILE CG1 C 27.6 0.3 1 407 40 40 ILE CG2 C 16.6 0.3 1 408 40 40 ILE CD1 C 15.6 0.3 1 409 40 40 ILE N N 120.1 0.3 1 410 41 41 SER H H 9.08 0.02 1 411 41 41 SER HA H 4.65 0.02 1 412 41 41 SER C C 176.1 0.3 1 413 41 41 SER CA C 59.8 0.3 1 414 41 41 SER CB C 63.3 0.3 1 415 41 41 SER N N 123.8 0.3 1 416 42 42 ILE H H 8.99 0.02 1 417 42 42 ILE HA H 3.46 0.02 1 418 42 42 ILE HB H 1.64 0.02 1 419 42 42 ILE HG12 H 1.56 0.02 2 420 42 42 ILE HG13 H 0.68 0.02 2 421 42 42 ILE HG2 H 0.78 0.02 1 422 42 42 ILE HD1 H 0.82 0.02 1 423 42 42 ILE C C 176.7 0.3 1 424 42 42 ILE CA C 66.1 0.3 1 425 42 42 ILE CB C 37.5 0.3 1 426 42 42 ILE CG1 C 31.6 0.3 1 427 42 42 ILE CG2 C 17.2 0.3 1 428 42 42 ILE CD1 C 13.8 0.3 1 429 42 42 ILE N N 130.1 0.3 1 430 43 43 ASP H H 8.43 0.02 1 431 43 43 ASP HA H 4.13 0.02 1 432 43 43 ASP HB2 H 2.66 0.02 2 433 43 43 ASP HB3 H 2.56 0.02 2 434 43 43 ASP C C 178.2 0.3 1 435 43 43 ASP CA C 57.0 0.3 1 436 43 43 ASP CB C 39.9 0.3 1 437 43 43 ASP N N 119.4 0.3 1 438 44 44 VAL H H 7.14 0.02 1 439 44 44 VAL HA H 3.64 0.02 1 440 44 44 VAL HB H 2.29 0.02 1 441 44 44 VAL HG1 H 0.93 0.02 1 442 44 44 VAL HG2 H 1.09 0.02 1 443 44 44 VAL C C 178.5 0.3 1 444 44 44 VAL CA C 65.7 0.3 1 445 44 44 VAL CB C 31.5 0.3 1 446 44 44 VAL CG1 C 20.7 0.3 1 447 44 44 VAL CG2 C 22.5 0.3 1 448 44 44 VAL N N 121.2 0.3 1 449 45 45 ILE H H 6.96 0.02 1 450 45 45 ILE HA H 2.82 0.02 1 451 45 45 ILE HB H 1.89 0.02 1 452 45 45 ILE HG12 H 1.55 0.02 2 453 45 45 ILE HG13 H 1.10 0.02 2 454 45 45 ILE HG2 H 0.99 0.02 1 455 45 45 ILE HD1 H 0.83 0.02 1 456 45 45 ILE C C 177.0 0.3 1 457 45 45 ILE CA C 62.9 0.3 1 458 45 45 ILE CB C 37.5 0.3 1 459 45 45 ILE CG1 C 28.4 0.3 1 460 45 45 ILE CG2 C 18.1 0.3 1 461 45 45 ILE CD1 C 13.3 0.3 1 462 45 45 ILE N N 121.4 0.3 1 463 46 46 ALA H H 8.62 0.02 1 464 46 46 ALA HA H 3.81 0.02 1 465 46 46 ALA HB H 1.37 0.02 1 466 46 46 ALA C C 176.5 0.3 1 467 46 46 ALA CA C 53.9 0.3 1 468 46 46 ALA CB C 18.7 0.3 1 469 46 46 ALA N N 118.7 0.3 1 470 47 47 SER H H 7.05 0.02 1 471 47 47 SER HA H 4.27 0.02 1 472 47 47 SER HB2 H 4.03 0.02 2 473 47 47 SER HB3 H 3.96 0.02 2 474 47 47 SER C C 175.0 0.3 1 475 47 47 SER CA C 59.4 0.3 1 476 47 47 SER CB C 64.1 0.3 1 477 47 47 SER N N 110.0 0.3 1 478 48 48 PHE H H 7.39 0.02 1 479 48 48 PHE HA H 4.70 0.02 1 480 48 48 PHE HB2 H 3.43 0.02 2 481 48 48 PHE HB3 H 3.15 0.02 2 482 48 48 PHE HZ H 7.23 0.02 1 483 48 48 PHE CA C 55.8 0.3 1 484 48 48 PHE CB C 37.8 0.3 1 485 48 48 PHE CD1 C 127.7 0.3 1 486 48 48 PHE CE1 C 117.7 0.3 1 487 48 48 PHE CZ C 129.7 0.3 1 488 48 48 PHE N N 122.8 0.3 1 489 50 50 ARG HA H 4.13 0.02 1 490 50 50 ARG HB2 H 1.95 0.02 2 491 50 50 ARG HB3 H 1.79 0.02 2 492 50 50 ARG HG2 H 1.40 0.02 2 493 50 50 ARG HG3 H 1.57 0.02 2 494 50 50 ARG HD2 H 3.20 0.02 2 495 50 50 ARG HD3 H 3.10 0.02 2 496 50 50 ARG C C 178.9 0.3 1 497 50 50 ARG CA C 58.2 0.3 1 498 50 50 ARG CB C 30.0 0.3 1 499 50 50 ARG CG C 27.1 0.3 1 500 50 50 ARG CD C 42.1 0.3 1 501 51 51 MET H H 7.04 0.02 1 502 51 51 MET HA H 4.57 0.02 1 503 51 51 MET HG2 H 2.79 0.02 2 504 51 51 MET HG3 H 3.35 0.02 2 505 51 51 MET C C 178.1 0.3 1 506 51 51 MET CA C 55.9 0.3 1 507 51 51 MET CB C 30.1 0.3 1 508 51 51 MET CG C 32.1 0.3 1 509 51 51 MET N N 115.6 0.3 1 510 52 52 LYS H H 7.91 0.02 1 511 52 52 LYS HA H 4.06 0.02 1 512 52 52 LYS HB2 H 1.71 0.02 2 513 52 52 LYS HB3 H 1.92 0.02 2 514 52 52 LYS HG2 H 1.47 0.02 2 515 52 52 LYS HG3 H 1.53 0.02 2 516 52 52 LYS HD2 H 1.64 0.02 2 517 52 52 LYS HD3 H 1.68 0.02 2 518 52 52 LYS C C 178.1 0.3 1 519 52 52 LYS CA C 59.2 0.3 1 520 52 52 LYS CB C 32.3 0.3 1 521 52 52 LYS CG C 25.0 0.3 1 522 52 52 LYS CD C 29.4 0.3 1 523 52 52 LYS CE C 41.9 0.3 1 524 52 52 LYS N N 119.4 0.3 1 525 53 53 THR H H 7.36 0.02 1 526 53 53 THR HA H 4.07 0.02 1 527 53 53 THR HB H 4.28 0.02 1 528 53 53 THR HG2 H 1.28 0.02 1 529 53 53 THR C C 174.6 0.3 1 530 53 53 THR CA C 64.0 0.3 1 531 53 53 THR CB C 69.2 0.3 1 532 53 53 THR CG2 C 21.5 0.3 1 533 53 53 THR N N 109.2 0.3 1 534 54 54 ILE H H 7.52 0.02 1 535 54 54 ILE HA H 3.92 0.02 1 536 54 54 ILE HB H 1.93 0.02 1 537 54 54 ILE HG2 H 0.88 0.02 1 538 54 54 ILE HD1 H 0.86 0.02 1 539 54 54 ILE C C 176.4 0.3 1 540 54 54 ILE CA C 64.3 0.3 1 541 54 54 ILE CB C 39.2 0.3 1 542 54 54 ILE CG1 C 27.1 0.3 1 543 54 54 ILE CG2 C 19.2 0.3 1 544 54 54 ILE CD1 C 14.1 0.3 1 545 54 54 ILE N N 123.2 0.3 1 546 55 55 SER H H 8.17 0.02 1 547 55 55 SER HA H 4.44 0.02 1 548 55 55 SER C C 173.4 0.3 1 549 55 55 SER CA C 58.8 0.3 1 550 55 55 SER CB C 64.9 0.3 1 551 55 55 SER N N 111.0 0.3 1 552 56 56 THR H H 8.32 0.02 1 553 56 56 THR HA H 4.50 0.02 1 554 56 56 THR HB H 4.67 0.02 1 555 56 56 THR HG2 H 1.28 0.02 1 556 56 56 THR C C 175.0 0.3 1 557 56 56 THR CA C 60.2 0.3 1 558 56 56 THR CB C 68.5 0.3 1 559 56 56 THR CG2 C 21.3 0.3 1 560 56 56 THR N N 115.0 0.3 1 561 57 57 ASP H H 8.35 0.02 1 562 57 57 ASP HA H 4.67 0.02 1 563 57 57 ASP HB2 H 3.05 0.02 2 564 57 57 ASP HB3 H 2.46 0.02 2 565 57 57 ASP C C 175.3 0.3 1 566 57 57 ASP CA C 52.9 0.3 1 567 57 57 ASP CB C 41.3 0.3 1 568 57 57 ASP N N 124.7 0.3 1 569 58 58 LEU H H 8.51 0.02 1 570 58 58 LEU HA H 3.90 0.02 1 571 58 58 LEU HB2 H 1.74 0.02 2 572 58 58 LEU HB3 H 1.63 0.02 2 573 58 58 LEU HG H 1.68 0.02 1 574 58 58 LEU HD1 H 0.81 0.02 1 575 58 58 LEU HD2 H 0.86 0.02 1 576 58 58 LEU C C 179.8 0.3 1 577 58 58 LEU CA C 57.7 0.3 1 578 58 58 LEU CB C 41.6 0.3 1 579 58 58 LEU CG C 27.2 0.3 1 580 58 58 LEU CD1 C 24.1 0.3 1 581 58 58 LEU CD2 C 24.2 0.3 1 582 58 58 LEU N N 127.3 0.3 1 583 59 59 GLN H H 8.18 0.02 1 584 59 59 GLN HA H 4.09 0.02 1 585 59 59 GLN HB2 H 2.02 0.02 2 586 59 59 GLN HB3 H 2.20 0.02 2 587 59 59 GLN HG2 H 1.76 0.02 2 588 59 59 GLN HG3 H 1.83 0.02 2 589 59 59 GLN HE21 H 7.75 0.02 1 590 59 59 GLN HE22 H 6.84 0.02 1 591 59 59 GLN C C 177.7 0.3 1 592 59 59 GLN CA C 59.3 0.3 1 593 59 59 GLN CB C 27.8 0.3 1 594 59 59 GLN CG C 32.0 0.3 1 595 59 59 GLN N N 121.6 0.3 1 596 59 59 GLN NE2 N 113.6 0.3 1 597 60 60 LEU H H 7.42 0.02 1 598 60 60 LEU HA H 4.01 0.02 1 599 60 60 LEU HB2 H 1.58 0.02 2 600 60 60 LEU HB3 H 1.83 0.02 2 601 60 60 LEU HG H 1.52 0.02 1 602 60 60 LEU HD1 H 0.94 0.02 1 603 60 60 LEU HD2 H 0.87 0.02 1 604 60 60 LEU C C 180.0 0.3 1 605 60 60 LEU CA C 57.9 0.3 1 606 60 60 LEU CB C 41.4 0.3 1 607 60 60 LEU CG C 26.6 0.3 1 608 60 60 LEU CD1 C 25.2 0.3 1 609 60 60 LEU CD2 C 24.9 0.3 1 610 60 60 LEU N N 123.9 0.3 1 611 61 61 ILE H H 8.32 0.02 1 612 61 61 ILE HA H 3.65 0.02 1 613 61 61 ILE HB H 1.80 0.02 1 614 61 61 ILE HG2 H 0.72 0.02 1 615 61 61 ILE HD1 H 0.71 0.02 1 616 61 61 ILE C C 176.7 0.3 1 617 61 61 ILE CA C 65.8 0.3 1 618 61 61 ILE CB C 38.6 0.3 1 619 61 61 ILE CG1 C 28.7 0.3 1 620 61 61 ILE CG2 C 16.0 0.3 1 621 61 61 ILE CD1 C 13.5 0.3 1 622 61 61 ILE N N 119.4 0.3 1 623 62 62 THR H H 8.05 0.02 1 624 62 62 THR HA H 4.33 0.02 1 625 62 62 THR HB H 4.99 0.02 1 626 62 62 THR HG2 H 1.25 0.02 1 627 62 62 THR C C 175.6 0.3 1 628 62 62 THR CA C 68.8 0.3 1 629 62 62 THR CB C 66.5 0.3 1 630 62 62 THR CG2 C 20.7 0.3 1 631 62 62 THR N N 116.4 0.3 1 632 63 63 GLU H H 8.06 0.02 1 633 63 63 GLU HA H 3.85 0.02 1 634 63 63 GLU HB2 H 2.05 0.02 2 635 63 63 GLU HB3 H 2.12 0.02 2 636 63 63 GLU HG2 H 2.36 0.02 2 637 63 63 GLU HG3 H 2.33 0.02 2 638 63 63 GLU C C 179.5 0.3 1 639 63 63 GLU CA C 59.2 0.3 1 640 63 63 GLU CB C 29.3 0.3 1 641 63 63 GLU CG C 36.3 0.3 1 642 63 63 GLU N N 119.3 0.3 1 643 64 64 ALA H H 8.18 0.02 1 644 64 64 ALA HA H 4.07 0.02 1 645 64 64 ALA HB H 1.57 0.02 1 646 64 64 ALA C C 180.3 0.3 1 647 64 64 ALA CA C 55.0 0.3 1 648 64 64 ALA CB C 18.3 0.3 1 649 64 64 ALA N N 122.3 0.3 1 650 65 65 LEU H H 7.81 0.02 1 651 65 65 LEU HA H 3.96 0.02 1 652 65 65 LEU HB2 H 1.96 0.02 2 653 65 65 LEU HB3 H 1.81 0.02 2 654 65 65 LEU HG H 1.52 0.02 1 655 65 65 LEU HD1 H 0.83 0.02 1 656 65 65 LEU HD2 H 0.79 0.02 1 657 65 65 LEU C C 179.3 0.3 1 658 65 65 LEU CA C 57.2 0.3 1 659 65 65 LEU CB C 40.8 0.3 1 660 65 65 LEU CG C 27.5 0.3 1 661 65 65 LEU CD1 C 25.6 0.3 1 662 65 65 LEU CD2 C 22.2 0.3 1 663 65 65 LEU N N 115.3 0.3 1 664 66 66 LYS H H 7.62 0.02 1 665 66 66 LYS HA H 3.98 0.02 1 666 66 66 LYS HB2 H 2.03 0.02 2 667 66 66 LYS HB3 H 1.90 0.02 2 668 66 66 LYS HG2 H 1.42 0.02 2 669 66 66 LYS HG3 H 1.38 0.02 2 670 66 66 LYS HD2 H 1.65 0.02 2 671 66 66 LYS HD3 H 1.69 0.02 2 672 66 66 LYS C C 177.0 0.3 1 673 66 66 LYS CA C 59.0 0.3 1 674 66 66 LYS CB C 32.6 0.3 1 675 66 66 LYS CG C 25.5 0.3 1 676 66 66 LYS CD C 28.7 0.3 1 677 66 66 LYS CE C 41.9 0.3 1 678 66 66 LYS N N 118.4 0.3 1 679 67 67 LYS H H 7.24 0.02 1 680 67 67 LYS HA H 4.37 0.02 1 681 67 67 LYS HB2 H 2.02 0.02 2 682 67 67 LYS HB3 H 1.93 0.02 2 683 67 67 LYS HG2 H 1.44 0.02 2 684 67 67 LYS HG3 H 1.40 0.02 2 685 67 67 LYS HD2 H 1.66 0.02 2 686 67 67 LYS HD3 H 1.62 0.02 2 687 67 67 LYS C C 177.1 0.3 1 688 67 67 LYS CA C 56.1 0.3 1 689 67 67 LYS CB C 32.4 0.3 1 690 67 67 LYS CG C 24.7 0.3 1 691 67 67 LYS CD C 28.8 0.3 1 692 67 67 LYS CE C 41.9 0.3 1 693 67 67 LYS N N 116.3 0.3 1 694 68 68 SER H H 7.31 0.02 1 695 68 68 SER HA H 4.36 0.02 1 696 68 68 SER HB2 H 3.85 0.02 2 697 68 68 SER HB3 H 4.05 0.02 2 698 68 68 SER C C 176.3 0.3 1 699 68 68 SER CA C 58.5 0.3 1 700 68 68 SER CB C 64.6 0.3 1 701 68 68 SER N N 113.8 0.3 1 702 69 69 THR H H 9.29 0.02 1 703 69 69 THR HA H 4.55 0.02 1 704 69 69 THR HB H 4.50 0.02 1 705 69 69 THR HG2 H 1.29 0.02 1 706 69 69 THR C C 174.9 0.3 1 707 69 69 THR CA C 62.2 0.3 1 708 69 69 THR CB C 69.1 0.3 1 709 69 69 THR CG2 C 21.6 0.3 1 710 69 69 THR N N 117.9 0.3 1 711 70 70 ARG H H 8.28 0.02 1 712 70 70 ARG HA H 4.52 0.02 1 713 70 70 ARG HB2 H 1.45 0.02 2 714 70 70 ARG HB3 H 1.94 0.02 2 715 70 70 ARG C C 174.9 0.3 1 716 70 70 ARG CA C 56.0 0.3 1 717 70 70 ARG CB C 32.8 0.3 1 718 70 70 ARG CG C 26.9 0.3 1 719 70 70 ARG CD C 43.1 0.3 1 720 70 70 ARG N N 119.9 0.3 1 721 71 71 LEU H H 7.11 0.02 1 722 71 71 LEU HA H 4.93 0.02 1 723 71 71 LEU HB2 H 1.11 0.02 2 724 71 71 LEU HB3 H 1.38 0.02 2 725 71 71 LEU HG H 0.71 0.02 1 726 71 71 LEU C C 174.4 0.3 1 727 71 71 LEU CA C 52.3 0.3 1 728 71 71 LEU CB C 44.6 0.3 1 729 71 71 LEU CG C 26.8 0.3 1 730 71 71 LEU CD1 C 22.2 0.3 1 731 71 71 LEU CD2 C 22.0 0.3 1 732 71 71 LEU N N 119.7 0.3 1 733 72 72 GLN H H 8.68 0.02 1 734 72 72 GLN HA H 4.63 0.02 1 735 72 72 GLN HB2 H 2.43 0.02 2 736 72 72 GLN HB3 H 2.26 0.02 2 737 72 72 GLN HG2 H 1.68 0.02 2 738 72 72 GLN HG3 H 1.72 0.02 2 739 72 72 GLN HE21 H 7.32 0.02 1 740 72 72 GLN HE22 H 6.80 0.02 1 741 72 72 GLN C C 174.1 0.3 1 742 72 72 GLN CA C 54.3 0.3 1 743 72 72 GLN CB C 32.4 0.3 1 744 72 72 GLN CG C 33.3 0.3 1 745 72 72 GLN N N 121.1 0.3 1 746 72 72 GLN NE2 N 111.6 0.3 1 747 73 73 VAL H H 8.85 0.02 1 748 73 73 VAL HA H 4.99 0.02 1 749 73 73 VAL HB H 1.94 0.02 1 750 73 73 VAL HG1 H 1.19 0.02 1 751 73 73 VAL HG2 H 0.85 0.02 1 752 73 73 VAL C C 176.5 0.3 1 753 73 73 VAL CA C 60.9 0.3 1 754 73 73 VAL CB C 32.3 0.3 1 755 73 73 VAL CG1 C 20.7 0.3 1 756 73 73 VAL CG2 C 22.5 0.3 1 757 73 73 VAL N N 129.4 0.3 1 758 74 74 SER H H 8.70 0.02 1 759 74 74 SER HA H 4.08 0.02 1 760 74 74 SER HB2 H 2.73 0.02 2 761 74 74 SER HB3 H 3.87 0.02 2 762 74 74 SER C C 176.6 0.3 1 763 74 74 SER CA C 59.1 0.3 1 764 74 74 SER CB C 63.2 0.3 1 765 74 74 SER N N 123.9 0.3 1 766 75 75 GLU H H 8.95 0.02 1 767 75 75 GLU HA H 3.97 0.02 1 768 75 75 GLU HB2 H 2.03 0.02 2 769 75 75 GLU HB3 H 1.94 0.02 2 770 75 75 GLU HG2 H 2.32 0.02 2 771 75 75 GLU HG3 H 2.36 0.02 2 772 75 75 GLU C C 177.6 0.3 1 773 75 75 GLU CA C 59.8 0.3 1 774 75 75 GLU CB C 29.2 0.3 1 775 75 75 GLU CG C 36.6 0.3 1 776 75 75 GLU N N 123.6 0.3 1 777 76 76 ASP H H 7.89 0.02 1 778 76 76 ASP HA H 4.38 0.02 1 779 76 76 ASP HB2 H 2.59 0.02 2 780 76 76 ASP HB3 H 2.97 0.02 2 781 76 76 ASP C C 177.2 0.3 1 782 76 76 ASP CA C 53.2 0.3 1 783 76 76 ASP CB C 40.0 0.3 1 784 76 76 ASP N N 115.3 0.3 1 785 77 77 GLY H H 8.17 0.02 1 786 77 77 GLY HA2 H 3.92 0.02 2 787 77 77 GLY HA3 H 3.47 0.02 2 788 77 77 GLY C C 173.9 0.3 1 789 77 77 GLY CA C 45.6 0.3 1 790 77 77 GLY N N 109.7 0.3 1 791 78 78 LYS H H 7.59 0.02 1 792 78 78 LYS HA H 4.31 0.02 1 793 78 78 LYS HB2 H 1.88 0.02 2 794 78 78 LYS HB3 H 1.77 0.02 2 795 78 78 LYS HG2 H 1.29 0.02 2 796 78 78 LYS HG3 H 1.19 0.02 2 797 78 78 LYS HD2 H 1.48 0.02 2 798 78 78 LYS HD3 H 1.56 0.02 2 799 78 78 LYS C C 177.2 0.3 1 800 78 78 LYS CA C 56.8 0.3 1 801 78 78 LYS CB C 34.1 0.3 1 802 78 78 LYS CG C 24.7 0.3 1 803 78 78 LYS CD C 28.7 0.3 1 804 78 78 LYS CE C 42.1 0.3 1 805 78 78 LYS N N 114.6 0.3 1 806 79 79 MET H H 8.05 0.02 1 807 79 79 MET HA H 5.40 0.02 1 808 79 79 MET HB2 H 2.02 0.02 2 809 79 79 MET HB3 H 1.45 0.02 2 810 79 79 MET HG2 H 2.21 0.02 2 811 79 79 MET HG3 H 2.41 0.02 2 812 79 79 MET C C 172.9 0.3 1 813 79 79 MET CA C 54.0 0.3 1 814 79 79 MET CB C 36.8 0.3 1 815 79 79 MET CG C 32.1 0.3 1 816 79 79 MET N N 118.3 0.3 1 817 80 80 VAL H H 9.76 0.02 1 818 80 80 VAL HA H 5.74 0.02 1 819 80 80 VAL HB H 1.86 0.02 1 820 80 80 VAL HG1 H 0.96 0.02 1 821 80 80 VAL HG2 H 0.80 0.02 1 822 80 80 VAL C C 171.7 0.3 1 823 80 80 VAL CA C 58.9 0.3 1 824 80 80 VAL CB C 35.6 0.3 1 825 80 80 VAL CG1 C 19.7 0.3 1 826 80 80 VAL CG2 C 23.3 0.3 1 827 80 80 VAL N N 120.2 0.3 1 828 81 81 ARG H H 8.65 0.02 1 829 81 81 ARG HA H 4.97 0.02 1 830 81 81 ARG HB2 H 1.58 0.02 2 831 81 81 ARG HB3 H 2.07 0.02 2 832 81 81 ARG C C 173.8 0.3 1 833 81 81 ARG CA C 53.2 0.3 1 834 81 81 ARG CB C 34.3 0.3 1 835 81 81 ARG CG C 29.8 0.3 1 836 81 81 ARG CD C 41.0 0.3 1 837 81 81 ARG N N 123.4 0.3 1 838 82 82 ARG H H 8.25 0.02 1 839 82 82 ARG HA H 4.14 0.02 1 840 82 82 ARG HB2 H 1.60 0.02 2 841 82 82 ARG HB3 H 1.70 0.02 2 842 82 82 ARG C C 175.9 0.3 1 843 82 82 ARG CA C 55.3 0.3 1 844 82 82 ARG CB C 31.5 0.3 1 845 82 82 ARG CG C 26.6 0.3 1 846 82 82 ARG CD C 43.8 0.3 1 847 82 82 ARG N N 119.6 0.3 1 848 83 83 LEU H H 7.55 0.02 1 849 83 83 LEU HA H 4.07 0.02 1 850 83 83 LEU HB2 H 1.34 0.02 2 851 83 83 LEU HB3 H 1.58 0.02 2 852 83 83 LEU HG H 1.16 0.02 1 853 83 83 LEU HD1 H 0.66 0.02 1 854 83 83 LEU HD2 H 0.72 0.02 1 855 83 83 LEU CA C 56.0 0.3 1 856 83 83 LEU CB C 43.3 0.3 1 857 83 83 LEU CG C 26.6 0.3 1 858 83 83 LEU CD1 C 25.0 0.3 1 859 83 83 LEU CD2 C 23.7 0.3 1 860 83 83 LEU N N 123.5 0.3 1 861 85 85 PRO HA H 4.41 0.02 1 862 85 85 PRO HB2 H 2.29 0.02 2 863 85 85 PRO HB3 H 1.87 0.02 2 864 85 85 PRO HD2 H 3.69 0.02 2 865 85 85 PRO HD3 H 3.63 0.02 2 866 85 85 PRO C C 176.8 0.3 1 867 85 85 PRO CA C 62.8 0.3 1 868 85 85 PRO CB C 29.6 0.3 1 869 85 85 PRO CG C 27.3 0.3 1 870 85 85 PRO CD C 50.6 0.3 1 871 86 86 LEU H H 8.55 0.02 1 872 86 86 LEU HA H 4.44 0.02 1 873 86 86 LEU HB2 H 1.59 0.02 2 874 86 86 LEU HB3 H 1.55 0.02 2 875 86 86 LEU HG H 1.74 0.02 1 876 86 86 LEU HD1 H 0.84 0.02 1 877 86 86 LEU HD2 H 0.89 0.02 1 878 86 86 LEU CA C 53.3 0.3 1 879 86 86 LEU CB C 41.0 0.3 1 880 86 86 LEU CG C 27.4 0.3 1 881 86 86 LEU CD1 C 25.1 0.3 1 882 86 86 LEU CD2 C 23.5 0.3 1 883 86 86 LEU N N 124.8 0.3 1 884 87 87 PRO HA H 4.40 0.02 1 885 87 87 PRO HB2 H 2.30 0.02 2 886 87 87 PRO HB3 H 1.91 0.02 2 887 87 87 PRO HD2 H 3.82 0.02 2 888 87 87 PRO HD3 H 3.54 0.02 2 889 87 87 PRO C C 176.8 0.3 1 890 87 87 PRO CA C 63.0 0.3 1 891 87 87 PRO CB C 31.9 0.3 1 892 87 87 PRO CG C 27.2 0.3 1 893 87 87 PRO CD C 50.4 0.3 1 894 88 88 GLU H H 8.49 0.02 1 895 88 88 GLU HA H 4.19 0.02 1 896 88 88 GLU HB2 H 1.96 0.02 2 897 88 88 GLU HB3 H 2.01 0.02 2 898 88 88 GLU HG2 H 2.27 0.02 2 899 88 88 GLU HG3 H 2.22 0.02 2 900 88 88 GLU C C 176.3 0.3 1 901 88 88 GLU CA C 56.8 0.3 1 902 88 88 GLU CB C 30.3 0.3 1 903 88 88 GLU CG C 36.3 0.3 1 904 88 88 GLU N N 121.0 0.3 1 905 89 89 ASN H H 8.36 0.02 1 906 89 89 ASN HA H 4.71 0.02 1 907 89 89 ASN HB2 H 2.83 0.02 2 908 89 89 ASN HB3 H 2.74 0.02 2 909 89 89 ASN HD21 H 6.78 0.02 1 910 89 89 ASN HD22 H 7.32 0.02 1 911 89 89 ASN C C 175.2 0.3 1 912 89 89 ASN CA C 53.2 0.3 1 913 89 89 ASN CB C 38.8 0.3 1 914 89 89 ASN N N 119.3 0.3 1 915 89 89 ASN ND2 N 112.7 0.3 1 916 90 90 ILE H H 7.87 0.02 1 917 90 90 ILE HA H 4.13 0.02 1 918 90 90 ILE HB H 1.85 0.02 1 919 90 90 ILE HG12 H 1.40 0.02 2 920 90 90 ILE HG13 H 1.12 0.02 2 921 90 90 ILE HG2 H 0.82 0.02 1 922 90 90 ILE HD1 H 0.81 0.02 1 923 90 90 ILE C C 175.6 0.3 1 924 90 90 ILE CA C 61.4 0.3 1 925 90 90 ILE CB C 38.8 0.3 1 926 90 90 ILE CG1 C 27.2 0.3 1 927 90 90 ILE CG2 C 17.5 0.3 1 928 90 90 ILE CD1 C 13.0 0.3 1 929 90 90 ILE N N 121.0 0.3 1 930 91 91 ASP H H 8.30 0.02 1 931 91 91 ASP HA H 4.66 0.02 1 932 91 91 ASP HB2 H 2.69 0.02 2 933 91 91 ASP HB3 H 2.56 0.02 2 934 91 91 ASP C C 177.0 0.3 1 935 91 91 ASP CA C 54.2 0.3 1 936 91 91 ASP CB C 41.1 0.3 1 937 91 91 ASP N N 124.0 0.3 1 938 92 92 CYS H H 8.27 0.02 1 939 92 92 CYS HA H 4.44 0.02 1 940 92 92 CYS HB2 H 2.80 0.02 2 941 92 92 CYS HB3 H 2.76 0.02 2 942 92 92 CYS C C 175.6 0.3 1 943 92 92 CYS CA C 59.1 0.3 1 944 92 92 CYS CB C 27.8 0.3 1 945 92 92 CYS N N 120.6 0.3 1 946 93 93 GLY H H 8.53 0.02 1 947 93 93 GLY HA2 H 3.93 0.02 2 948 93 93 GLY HA3 H 4.18 0.02 2 949 93 93 GLY C C 174.2 0.3 1 950 93 93 GLY CA C 46.5 0.3 1 951 93 93 GLY N N 109.2 0.3 1 952 94 94 LYS H H 7.58 0.02 1 953 94 94 LYS HA H 4.14 0.02 1 954 94 94 LYS HB2 H 2.39 0.02 2 955 94 94 LYS HB3 H 1.63 0.02 2 956 94 94 LYS HD2 H 1.36 0.02 2 957 94 94 LYS HD3 H 1.44 0.02 2 958 94 94 LYS C C 174.3 0.3 1 959 94 94 LYS CA C 57.1 0.3 1 960 94 94 LYS CB C 31.6 0.3 1 961 94 94 LYS CG C 24.4 0.3 1 962 94 94 LYS CD C 26.4 0.3 1 963 94 94 LYS CE C 42.0 0.3 1 964 94 94 LYS N N 117.4 0.3 1 965 95 95 THR H H 7.61 0.02 1 966 95 95 THR HA H 5.24 0.02 1 967 95 95 THR HB H 3.93 0.02 1 968 95 95 THR HG2 H 1.21 0.02 1 969 95 95 THR C C 172.5 0.3 1 970 95 95 THR CA C 62.4 0.3 1 971 95 95 THR CB C 70.2 0.3 1 972 95 95 THR CG2 C 23.6 0.3 1 973 95 95 THR N N 117.2 0.3 1 974 96 96 LEU H H 9.89 0.02 1 975 96 96 LEU HA H 4.89 0.02 1 976 96 96 LEU HB2 H 2.28 0.02 2 977 96 96 LEU HB3 H 1.72 0.02 2 978 96 96 LEU HG H 1.12 0.02 1 979 96 96 LEU HD1 H 1.89 0.02 1 980 96 96 LEU HD2 H 1.17 0.02 1 981 96 96 LEU C C 174.4 0.3 1 982 96 96 LEU CA C 53.2 0.3 1 983 96 96 LEU CB C 47.4 0.3 1 984 96 96 LEU CG C 28.5 0.3 1 985 96 96 LEU CD1 C 26.5 0.3 1 986 96 96 LEU CD2 C 24.5 0.3 1 987 96 96 LEU N N 129.2 0.3 1 988 97 97 TYR H H 9.04 0.02 1 989 97 97 TYR HA H 5.43 0.02 1 990 97 97 TYR HB2 H 2.39 0.02 2 991 97 97 TYR HB3 H 2.58 0.02 2 992 97 97 TYR C C 174.1 0.3 1 993 97 97 TYR CA C 55.5 0.3 1 994 97 97 TYR CB C 40.8 0.3 1 995 97 97 TYR CD1 C 117.7 0.3 1 996 97 97 TYR CE1 C 133.0 0.3 1 997 97 97 TYR N N 125.8 0.3 1 998 98 98 SER H H 7.43 0.02 1 999 98 98 SER HA H 5.17 0.02 1 1000 98 98 SER HB2 H 3.36 0.02 2 1001 98 98 SER HB3 H 2.37 0.02 2 1002 98 98 SER C C 171.6 0.3 1 1003 98 98 SER CA C 54.3 0.3 1 1004 98 98 SER CB C 65.4 0.3 1 1005 98 98 SER N N 120.1 0.3 1 1006 99 99 LYS H H 7.71 0.02 1 1007 99 99 LYS HA H 4.95 0.02 1 1008 99 99 LYS HB2 H 1.61 0.02 2 1009 99 99 LYS HB3 H 1.43 0.02 2 1010 99 99 LYS HG2 H 1.12 0.02 2 1011 99 99 LYS HG3 H 1.16 0.02 2 1012 99 99 LYS C C 173.2 0.3 1 1013 99 99 LYS CA C 54.9 0.3 1 1014 99 99 LYS CB C 35.9 0.3 1 1015 99 99 LYS CG C 24.6 0.3 1 1016 99 99 LYS CD C 29.4 0.3 1 1017 99 99 LYS CE C 41.9 0.3 1 1018 99 99 LYS N N 122.4 0.3 1 1019 100 100 GLY H H 7.69 0.02 1 1020 100 100 GLY HA2 H 3.61 0.02 2 1021 100 100 GLY HA3 H 4.41 0.02 2 1022 100 100 GLY C C 176.2 0.3 1 1023 100 100 GLY CA C 44.3 0.3 1 1024 100 100 GLY N N 109.9 0.3 1 1025 101 101 TRP H H 8.31 0.02 1 1026 101 101 TRP HA H 3.96 0.02 1 1027 101 101 TRP HD1 H 6.44 0.02 1 1028 101 101 TRP HE1 H 9.86 0.02 1 1029 101 101 TRP HE3 H 7.60 0.02 1 1030 101 101 TRP HZ2 H 6.86 0.02 1 1031 101 101 TRP HZ3 H 6.36 0.02 1 1032 101 101 TRP HH2 H 5.85 0.02 1 1033 101 101 TRP CA C 57.3 0.3 1 1034 101 101 TRP CB C 27.9 0.3 1 1035 101 101 TRP CD1 C 125.2 0.3 1 1036 101 101 TRP CE3 C 131.9 0.3 1 1037 101 101 TRP CZ2 C 114.5 0.3 1 1038 101 101 TRP CZ3 C 131.6 0.3 1 1039 101 101 TRP CH2 C 124.0 0.3 1 1040 101 101 TRP N N 124.3 0.3 1 1041 101 101 TRP NE1 N 132.3 0.3 1 1042 102 102 PRO HA H 4.66 0.02 1 1043 102 102 PRO HB2 H 2.44 0.02 2 1044 102 102 PRO HB3 H 2.25 0.02 2 1045 102 102 PRO HG2 H 2.12 0.02 2 1046 102 102 PRO HG3 H 2.06 0.02 2 1047 102 102 PRO HD2 H 3.51 0.02 2 1048 102 102 PRO HD3 H 3.81 0.02 2 1049 102 102 PRO C C 178.9 0.3 1 1050 102 102 PRO CA C 62.6 0.3 1 1051 102 102 PRO CB C 33.2 0.3 1 1052 102 102 PRO CG C 27.5 0.3 1 1053 102 102 PRO CD C 50.8 0.3 1 1054 103 103 GLU H H 9.35 0.02 1 1055 103 103 GLU HA H 4.26 0.02 1 1056 103 103 GLU HB2 H 2.21 0.02 2 1057 103 103 GLU HB3 H 2.03 0.02 2 1058 103 103 GLU HG2 H 2.47 0.02 2 1059 103 103 GLU HG3 H 2.35 0.02 2 1060 103 103 GLU C C 178.2 0.3 1 1061 103 103 GLU CA C 60.1 0.3 1 1062 103 103 GLU CB C 29.7 0.3 1 1063 103 103 GLU CG C 36.3 0.3 1 1064 103 103 GLU N N 122.4 0.3 1 1065 104 104 ASP H H 8.27 0.02 1 1066 104 104 ASP HA H 4.65 0.02 1 1067 104 104 ASP HB2 H 2.96 0.02 2 1068 104 104 ASP HB3 H 2.60 0.02 2 1069 104 104 ASP C C 176.1 0.3 1 1070 104 104 ASP CA C 52.9 0.3 1 1071 104 104 ASP CB C 39.1 0.3 1 1072 104 104 ASP N N 116.8 0.3 1 1073 105 105 THR H H 7.28 0.02 1 1074 105 105 THR HA H 3.71 0.02 1 1075 105 105 THR HB H 3.61 0.02 1 1076 105 105 THR HG2 H 0.74 0.02 1 1077 105 105 THR C C 172.0 0.3 1 1078 105 105 THR CA C 66.8 0.3 1 1079 105 105 THR CB C 68.8 0.3 1 1080 105 105 THR CG2 C 21.9 0.3 1 1081 105 105 THR N N 117.9 0.3 1 1082 106 106 THR H H 6.33 0.02 1 1083 106 106 THR HA H 4.47 0.02 1 1084 106 106 THR HB H 4.60 0.02 1 1085 106 106 THR HG2 H 1.21 0.02 1 1086 106 106 THR C C 174.8 0.3 1 1087 106 106 THR CA C 58.1 0.3 1 1088 106 106 THR CB C 72.6 0.3 1 1089 106 106 THR CG2 C 21.6 0.3 1 1090 106 106 THR N N 114.5 0.3 1 1091 107 107 ILE H H 8.74 0.02 1 1092 107 107 ILE HA H 3.18 0.02 1 1093 107 107 ILE HB H 1.66 0.02 1 1094 107 107 ILE HG2 H 0.74 0.02 1 1095 107 107 ILE HD1 H 0.89 0.02 1 1096 107 107 ILE C C 177.4 0.3 1 1097 107 107 ILE CA C 66.4 0.3 1 1098 107 107 ILE CB C 37.7 0.3 1 1099 107 107 ILE CG1 C 28.5 0.3 1 1100 107 107 ILE CG2 C 16.7 0.3 1 1101 107 107 ILE CD1 C 13.5 0.3 1 1102 107 107 ILE N N 120.8 0.3 1 1103 108 108 GLU H H 8.69 0.02 1 1104 108 108 GLU HA H 4.04 0.02 1 1105 108 108 GLU HB2 H 2.03 0.02 2 1106 108 108 GLU HB3 H 1.92 0.02 2 1107 108 108 GLU HG2 H 2.22 0.02 2 1108 108 108 GLU HG3 H 2.46 0.02 2 1109 108 108 GLU C C 179.2 0.3 1 1110 108 108 GLU CA C 60.6 0.3 1 1111 108 108 GLU CB C 28.3 0.3 1 1112 108 108 GLU CG C 37.2 0.3 1 1113 108 108 GLU N N 119.9 0.3 1 1114 109 109 LYS H H 7.61 0.02 1 1115 109 109 LYS HA H 4.15 0.02 1 1116 109 109 LYS HB2 H 1.89 0.02 2 1117 109 109 LYS HB3 H 2.04 0.02 2 1118 109 109 LYS HG2 H 1.68 0.02 2 1119 109 109 LYS HG3 H 1.59 0.02 2 1120 109 109 LYS HD2 H 1.84 0.02 2 1121 109 109 LYS HD3 H 1.88 0.02 2 1122 109 109 LYS HE2 H 3.04 0.02 2 1123 109 109 LYS HE3 H 3.00 0.02 2 1124 109 109 LYS C C 179.8 0.3 1 1125 109 109 LYS CA C 59.4 0.3 1 1126 109 109 LYS CB C 33.0 0.3 1 1127 109 109 LYS CG C 25.7 0.3 1 1128 109 109 LYS CD C 29.6 0.3 1 1129 109 109 LYS CE C 42.2 0.3 1 1130 109 109 LYS N N 120.4 0.3 1 1131 110 110 VAL H H 7.56 0.02 1 1132 110 110 VAL HA H 3.37 0.02 1 1133 110 110 VAL HB H 1.83 0.02 1 1134 110 110 VAL HG1 H 0.42 0.02 1 1135 110 110 VAL HG2 H -0.27 0.02 1 1136 110 110 VAL C C 177.7 0.3 1 1137 110 110 VAL CA C 67.1 0.3 1 1138 110 110 VAL CB C 31.2 0.3 1 1139 110 110 VAL CG1 C 22.0 0.3 1 1140 110 110 VAL CG2 C 22.2 0.3 1 1141 110 110 VAL N N 122.4 0.3 1 1142 111 111 GLN H H 8.23 0.02 1 1143 111 111 GLN HA H 3.99 0.02 1 1144 111 111 GLN HB2 H 2.31 0.02 2 1145 111 111 GLN HB3 H 2.11 0.02 2 1146 111 111 GLN HG2 H 2.44 0.02 2 1147 111 111 GLN HG3 H 2.21 0.02 2 1148 111 111 GLN HE21 H 7.28 0.02 1 1149 111 111 GLN HE22 H 6.82 0.02 1 1150 111 111 GLN C C 179.8 0.3 1 1151 111 111 GLN CA C 59.4 0.3 1 1152 111 111 GLN CB C 28.5 0.3 1 1153 111 111 GLN CG C 34.0 0.3 1 1154 111 111 GLN N N 118.8 0.3 1 1155 111 111 GLN NE2 N 111.3 0.3 1 1156 112 112 GLU H H 8.43 0.02 1 1157 112 112 GLU HA H 4.16 0.02 1 1158 112 112 GLU HB2 H 2.14 0.02 2 1159 112 112 GLU HB3 H 2.20 0.02 2 1160 112 112 GLU HG2 H 2.46 0.02 2 1161 112 112 GLU HG3 H 2.37 0.02 2 1162 112 112 GLU C C 178.6 0.3 1 1163 112 112 GLU CA C 59.2 0.3 1 1164 112 112 GLU CB C 29.5 0.3 1 1165 112 112 GLU CG C 36.0 0.3 1 1166 112 112 GLU N N 120.4 0.3 1 1167 113 113 PHE H H 8.30 0.02 1 1168 113 113 PHE HA H 4.33 0.02 1 1169 113 113 PHE HB2 H 3.41 0.02 2 1170 113 113 PHE HB3 H 3.23 0.02 2 1171 113 113 PHE C C 178.9 0.3 1 1172 113 113 PHE CA C 62.0 0.3 1 1173 113 113 PHE CB C 39.2 0.3 1 1174 113 113 PHE CD1 C 118.7 0.3 1 1175 113 113 PHE CE1 C 132.3 0.3 1 1176 113 113 PHE N N 122.2 0.3 1 1177 114 114 PHE H H 8.13 0.02 1 1178 114 114 PHE HA H 4.43 0.02 1 1179 114 114 PHE HB2 H 3.70 0.02 2 1180 114 114 PHE HB3 H 3.08 0.02 2 1181 114 114 PHE C C 177.0 0.3 1 1182 114 114 PHE CA C 63.3 0.3 1 1183 114 114 PHE CB C 38.7 0.3 1 1184 114 114 PHE CD1 C 132.6 0.3 1 1185 114 114 PHE CE1 C 129.2 0.3 1 1186 114 114 PHE N N 117.4 0.3 1 1187 115 115 ASN H H 7.88 0.02 1 1188 115 115 ASN HA H 4.13 0.02 1 1189 115 115 ASN HD21 H 6.85 0.02 1 1190 115 115 ASN HD22 H 7.54 0.02 1 1191 115 115 ASN C C 177.5 0.3 1 1192 115 115 ASN CA C 56.7 0.3 1 1193 115 115 ASN CB C 39.2 0.3 1 1194 115 115 ASN N N 118.6 0.3 1 1195 115 115 ASN ND2 N 114.1 0.3 1 1196 116 116 ALA H H 8.13 0.02 1 1197 116 116 ALA HA H 4.18 0.02 1 1198 116 116 ALA HB H 1.43 0.02 1 1199 116 116 ALA C C 177.7 0.3 1 1200 116 116 ALA CA C 54.1 0.3 1 1201 116 116 ALA CB C 18.8 0.3 1 1202 116 116 ALA N N 121.2 0.3 1 1203 117 117 ASN H H 7.37 0.02 1 1204 117 117 ASN HA H 4.82 0.02 1 1205 117 117 ASN HB2 H 2.27 0.02 2 1206 117 117 ASN HB3 H 2.02 0.02 2 1207 117 117 ASN HD21 H 6.33 0.02 1 1208 117 117 ASN HD22 H 6.79 0.02 1 1209 117 117 ASN C C 173.6 0.3 1 1210 117 117 ASN CA C 52.2 0.3 1 1211 117 117 ASN CB C 38.2 0.3 1 1212 117 117 ASN N N 118.3 0.3 1 1213 117 117 ASN ND2 N 118.7 0.3 1 1214 118 118 GLY H H 7.29 0.02 1 1215 118 118 GLY HA2 H 3.29 0.02 2 1216 118 118 GLY HA3 H 4.29 0.02 2 1217 118 118 GLY C C 174.7 0.3 1 1218 118 118 GLY CA C 44.5 0.3 1 1219 118 118 GLY N N 105.2 0.3 1 1220 119 119 GLY H H 7.46 0.02 1 1221 119 119 GLY HA2 H 4.11 0.02 2 1222 119 119 GLY HA3 H 3.79 0.02 2 1223 119 119 GLY C C 174.3 0.3 1 1224 119 119 GLY CA C 46.2 0.3 1 1225 119 119 GLY N N 109.8 0.3 1 1226 120 120 TYR H H 7.09 0.02 1 1227 120 120 TYR HA H 4.56 0.02 1 1228 120 120 TYR HB2 H 3.14 0.02 2 1229 120 120 TYR HB3 H 2.74 0.02 2 1230 120 120 TYR HD1 H 6.77 0.02 3 1231 120 120 TYR HD2 H 6.60 0.02 3 1232 120 120 TYR C C 175.3 0.3 1 1233 120 120 TYR CA C 56.4 0.3 1 1234 120 120 TYR CB C 39.7 0.3 1 1235 120 120 TYR CD1 C 117.1 0.3 1 1236 120 120 TYR CD2 C 130.8 0.3 1 1237 120 120 TYR CE2 C 133.2 0.3 1 1238 120 120 TYR N N 121.3 0.3 1 1239 121 121 LYS H H 8.80 0.02 1 1240 121 121 LYS HA H 4.30 0.02 1 1241 121 121 LYS HB2 H 1.82 0.02 2 1242 121 121 LYS HB3 H 1.76 0.02 2 1243 121 121 LYS HG2 H 1.19 0.02 2 1244 121 121 LYS HG3 H 1.36 0.02 2 1245 121 121 LYS HD2 H 1.66 0.02 2 1246 121 121 LYS HD3 H 1.63 0.02 2 1247 121 121 LYS C C 175.4 0.3 1 1248 121 121 LYS CA C 55.4 0.3 1 1249 121 121 LYS CB C 32.7 0.3 1 1250 121 121 LYS CG C 24.4 0.3 1 1251 121 121 LYS CD C 28.8 0.3 1 1252 121 121 LYS CE C 42.2 0.3 1 1253 121 121 LYS N N 124.8 0.3 1 1254 122 122 VAL H H 8.21 0.02 1 1255 122 122 VAL HA H 3.45 0.02 1 1256 122 122 VAL HB H 1.68 0.02 1 1257 122 122 VAL HG1 H 0.50 0.02 1 1258 122 122 VAL HG2 H 0.72 0.02 1 1259 122 122 VAL C C 175.5 0.3 1 1260 122 122 VAL CA C 61.4 0.3 1 1261 122 122 VAL CB C 31.8 0.3 1 1262 122 122 VAL CG1 C 22.3 0.3 1 1263 122 122 VAL CG2 C 23.3 0.3 1 1264 122 122 VAL N N 127.6 0.3 1 1265 123 123 VAL H H 8.55 0.02 1 1266 123 123 VAL HA H 3.66 0.02 1 1267 123 123 VAL HB H 1.57 0.02 1 1268 123 123 VAL HG1 H 0.83 0.02 1 1269 123 123 VAL HG2 H 0.74 0.02 1 1270 123 123 VAL C C 176.4 0.3 1 1271 123 123 VAL CA C 64.6 0.3 1 1272 123 123 VAL CB C 32.2 0.3 1 1273 123 123 VAL CG1 C 20.7 0.3 1 1274 123 123 VAL CG2 C 21.2 0.3 1 1275 123 123 VAL N N 129.4 0.3 1 1276 124 124 SER H H 6.96 0.02 1 1277 124 124 SER HA H 4.42 0.02 1 1278 124 124 SER HB2 H 3.72 0.02 2 1279 124 124 SER HB3 H 3.58 0.02 2 1280 124 124 SER C C 175.8 0.3 1 1281 124 124 SER CA C 57.2 0.3 1 1282 124 124 SER CB C 64.5 0.3 1 1283 124 124 SER N N 111.6 0.3 1 1284 125 125 VAL H H 8.29 0.02 1 1285 125 125 VAL HA H 4.45 0.02 1 1286 125 125 VAL HB H 1.74 0.02 1 1287 125 125 VAL HG1 H 0.36 0.02 1 1288 125 125 VAL HG2 H 0.56 0.02 1 1289 125 125 VAL C C 173.8 0.3 1 1290 125 125 VAL CA C 61.6 0.3 1 1291 125 125 VAL CB C 33.8 0.3 1 1292 125 125 VAL CG1 C 21.3 0.3 1 1293 125 125 VAL CG2 C 22.1 0.3 1 1294 125 125 VAL N N 123.1 0.3 1 1295 126 126 ARG H H 9.17 0.02 1 1296 126 126 ARG HA H 4.64 0.02 1 1297 126 126 ARG HB2 H 1.78 0.02 2 1298 126 126 ARG HB3 H 1.82 0.02 2 1299 126 126 ARG HG2 H 1.58 0.02 2 1300 126 126 ARG HG3 H 1.49 0.02 2 1301 126 126 ARG C C 175.8 0.3 1 1302 126 126 ARG CA C 54.7 0.3 1 1303 126 126 ARG CB C 30.3 0.3 1 1304 126 126 ARG CG C 26.4 0.3 1 1305 126 126 ARG CD C 41.1 0.3 1 1306 126 126 ARG N N 128.6 0.3 1 1307 127 127 LEU H H 8.72 0.02 1 1308 127 127 LEU HA H 4.43 0.02 1 1309 127 127 LEU HB2 H 1.56 0.02 2 1310 127 127 LEU HB3 H 1.52 0.02 2 1311 127 127 LEU HG H 1.57 0.02 1 1312 127 127 LEU HD1 H 0.58 0.02 1 1313 127 127 LEU HD2 H 0.29 0.02 1 1314 127 127 LEU C C 176.8 0.3 1 1315 127 127 LEU CA C 55.4 0.3 1 1316 127 127 LEU CB C 40.9 0.3 1 1317 127 127 LEU CG C 26.8 0.3 1 1318 127 127 LEU CD1 C 25.5 0.3 1 1319 127 127 LEU CD2 C 22.9 0.3 1 1320 127 127 LEU N N 125.0 0.3 1 1321 128 128 ARG H H 8.56 0.02 1 1322 128 128 ARG HA H 4.50 0.02 1 1323 128 128 ARG HB2 H 1.74 0.02 2 1324 128 128 ARG HB3 H 1.80 0.02 2 1325 128 128 ARG C C 176.0 0.3 1 1326 128 128 ARG CA C 57.0 0.3 1 1327 128 128 ARG CB C 32.0 0.3 1 1328 128 128 ARG CG C 26.8 0.3 1 1329 128 128 ARG CD C 42.5 0.3 1 1330 128 128 ARG N N 124.7 0.3 1 1331 129 129 LYS H H 8.63 0.02 1 1332 129 129 LYS HA H 5.17 0.02 1 1333 129 129 LYS HB2 H 1.75 0.02 2 1334 129 129 LYS HB3 H 1.81 0.02 2 1335 129 129 LYS HG2 H 1.35 0.02 2 1336 129 129 LYS HG3 H 1.45 0.02 2 1337 129 129 LYS C C 177.3 0.3 1 1338 129 129 LYS CA C 54.9 0.3 1 1339 129 129 LYS CB C 36.5 0.3 1 1340 129 129 LYS CG C 24.6 0.3 1 1341 129 129 LYS CD C 29.4 0.3 1 1342 129 129 LYS CE C 42.7 0.3 1 1343 129 129 LYS N N 122.3 0.3 1 1344 130 130 LYS H H 8.77 0.02 1 1345 130 130 LYS HA H 4.49 0.02 1 1346 130 130 LYS HB2 H 2.02 0.02 2 1347 130 130 LYS HB3 H 1.59 0.02 2 1348 130 130 LYS HG2 H 1.32 0.02 2 1349 130 130 LYS HG3 H 1.40 0.02 2 1350 130 130 LYS C C 176.3 0.3 1 1351 130 130 LYS CA C 56.1 0.3 1 1352 130 130 LYS CB C 32.8 0.3 1 1353 130 130 LYS CG C 26.2 0.3 1 1354 130 130 LYS CD C 29.1 0.3 1 1355 130 130 LYS CE C 42.8 0.3 1 1356 130 130 LYS N N 121.0 0.3 1 1357 131 131 SER H H 8.14 0.02 1 1358 131 131 SER HA H 4.27 0.02 1 1359 131 131 SER HB2 H 4.16 0.02 2 1360 131 131 SER HB3 H 3.99 0.02 2 1361 131 131 SER C C 174.2 0.3 1 1362 131 131 SER CA C 58.2 0.3 1 1363 131 131 SER CB C 63.7 0.3 1 1364 131 131 SER N N 117.7 0.3 1 1365 132 132 ASP H H 8.13 0.02 1 1366 132 132 ASP HA H 4.28 0.02 1 1367 132 132 ASP HB2 H 1.48 0.02 2 1368 132 132 ASP HB3 H 1.59 0.02 2 1369 132 132 ASP CA C 55.2 0.3 1 1370 132 132 ASP CB C 42.2 0.3 1 1371 132 132 ASP N N 123.5 0.3 1 1372 133 133 LYS HA H 4.00 0.02 1 1373 133 133 LYS HG2 H 1.80 0.02 2 1374 133 133 LYS HG3 H 1.74 0.02 2 1375 133 133 LYS HD2 H 1.45 0.02 2 1376 133 133 LYS HD3 H 1.41 0.02 2 1377 133 133 LYS C C 175.5 0.3 1 1378 133 133 LYS CA C 58.8 0.3 1 1379 133 133 LYS CB C 29.5 0.3 1 1380 133 133 LYS CG C 25.0 0.3 1 1381 133 133 LYS CD C 26.7 0.3 1 1382 133 133 LYS CE C 41.7 0.3 1 1383 134 134 SER H H 8.26 0.02 1 1384 134 134 SER HA H 4.48 0.02 1 1385 134 134 SER HB2 H 3.94 0.02 2 1386 134 134 SER HB3 H 3.88 0.02 2 1387 134 134 SER C C 174.1 0.3 1 1388 134 134 SER CA C 58.6 0.3 1 1389 134 134 SER CB C 63.8 0.3 1 1390 134 134 SER N N 116.7 0.3 1 1391 135 135 PHE H H 8.91 0.02 1 1392 135 135 PHE HA H 4.50 0.02 1 1393 135 135 PHE HB2 H 3.21 0.02 2 1394 135 135 PHE HB3 H 3.53 0.02 2 1395 135 135 PHE C C 176.7 0.3 1 1396 135 135 PHE CA C 57.7 0.3 1 1397 135 135 PHE CB C 39.5 0.3 1 1398 135 135 PHE CD1 C 132.6 0.3 1 1399 135 135 PHE N N 122.5 0.3 1 1400 136 136 LYS H H 8.52 0.02 1 1401 136 136 LYS HA H 4.13 0.02 1 1402 136 136 LYS HB2 H 1.67 0.02 2 1403 136 136 LYS HB3 H 1.70 0.02 2 1404 136 136 LYS HE2 H 3.00 0.02 2 1405 136 136 LYS HE3 H 3.23 0.02 2 1406 136 136 LYS C C 175.5 0.3 1 1407 136 136 LYS CA C 58.1 0.3 1 1408 136 136 LYS CB C 27.8 0.3 1 1409 136 136 LYS CG C 24.5 0.3 1 1410 136 136 LYS CD C 25.7 0.3 1 1411 136 136 LYS CE C 42.1 0.3 1 1412 136 136 LYS N N 126.6 0.3 1 1413 137 137 GLY H H 8.50 0.02 1 1414 137 137 GLY HA2 H 3.29 0.02 2 1415 137 137 GLY HA3 H 4.34 0.02 2 1416 137 137 GLY C C 171.5 0.3 1 1417 137 137 GLY CA C 46.2 0.3 1 1418 137 137 GLY N N 111.4 0.3 1 1419 138 138 SER H H 6.77 0.02 1 1420 138 138 SER HA H 5.53 0.02 1 1421 138 138 SER HB2 H 3.69 0.02 2 1422 138 138 SER HB3 H 3.88 0.02 2 1423 138 138 SER C C 172.9 0.3 1 1424 138 138 SER CA C 54.6 0.3 1 1425 138 138 SER CB C 67.3 0.3 1 1426 138 138 SER N N 113.6 0.3 1 1427 139 139 PHE H H 8.07 0.02 1 1428 139 139 PHE HA H 5.15 0.02 1 1429 139 139 PHE HB2 H 3.10 0.02 2 1430 139 139 PHE HB3 H 3.20 0.02 2 1431 139 139 PHE C C 172.2 0.3 1 1432 139 139 PHE CA C 56.0 0.3 1 1433 139 139 PHE CB C 43.0 0.3 1 1434 139 139 PHE CD1 C 119.1 0.3 1 1435 139 139 PHE CE1 C 128.9 0.3 1 1436 139 139 PHE N N 112.1 0.3 1 1437 140 140 LEU H H 8.01 0.02 1 1438 140 140 LEU HA H 5.66 0.02 1 1439 140 140 LEU HG H 1.54 0.02 1 1440 140 140 LEU HD1 H 0.93 0.02 1 1441 140 140 LEU HD2 H 0.72 0.02 1 1442 140 140 LEU C C 175.8 0.3 1 1443 140 140 LEU CA C 52.8 0.3 1 1444 140 140 LEU CB C 44.2 0.3 1 1445 140 140 LEU CG C 27.2 0.3 1 1446 140 140 LEU CD1 C 25.7 0.3 1 1447 140 140 LEU CD2 C 24.0 0.3 1 1448 140 140 LEU N N 117.8 0.3 1 1449 141 141 ALA H H 9.55 0.02 1 1450 141 141 ALA HA H 5.19 0.02 1 1451 141 141 ALA HB H 1.26 0.02 1 1452 141 141 ALA C C 173.9 0.3 1 1453 141 141 ALA CA C 50.3 0.3 1 1454 141 141 ALA CB C 22.7 0.3 1 1455 141 141 ALA N N 126.6 0.3 1 1456 142 142 ASP H H 8.34 0.02 1 1457 142 142 ASP HA H 5.63 0.02 1 1458 142 142 ASP HB2 H 2.31 0.02 2 1459 142 142 ASP HB3 H 2.49 0.02 2 1460 142 142 ASP C C 174.8 0.3 1 1461 142 142 ASP CA C 52.3 0.3 1 1462 142 142 ASP CB C 42.4 0.3 1 1463 142 142 ASP N N 122.1 0.3 1 1464 143 143 PHE H H 8.80 0.02 1 1465 143 143 PHE HA H 4.63 0.02 1 1466 143 143 PHE C C 176.1 0.3 1 1467 143 143 PHE CA C 57.2 0.3 1 1468 143 143 PHE CB C 42.0 0.3 1 1469 143 143 PHE CD1 C 132.8 0.3 1 1470 143 143 PHE CE1 C 130.3 0.3 1 1471 143 143 PHE N N 120.7 0.3 1 1472 144 144 GLU H H 9.91 0.02 1 1473 144 144 GLU HA H 3.99 0.02 1 1474 144 144 GLU HB2 H 2.19 0.02 2 1475 144 144 GLU HB3 H 2.16 0.02 2 1476 144 144 GLU C C 177.2 0.3 1 1477 144 144 GLU CA C 60.3 0.3 1 1478 144 144 GLU CB C 31.5 0.3 1 1479 144 144 GLU CG C 36.6 0.3 1 1480 144 144 GLU N N 117.6 0.3 1 1481 145 145 THR H H 6.99 0.02 1 1482 145 145 THR HA H 4.71 0.02 1 1483 145 145 THR HB H 4.81 0.02 1 1484 145 145 THR HG2 H 1.27 0.02 1 1485 145 145 THR C C 173.5 0.3 1 1486 145 145 THR CA C 58.7 0.3 1 1487 145 145 THR CB C 72.8 0.3 1 1488 145 145 THR CG2 C 21.6 0.3 1 1489 145 145 THR N N 102.3 0.3 1 1490 146 146 GLU H H 9.18 0.02 1 1491 146 146 GLU HA H 4.15 0.02 1 1492 146 146 GLU HB2 H 1.93 0.02 2 1493 146 146 GLU HB3 H 2.07 0.02 2 1494 146 146 GLU C C 177.9 0.3 1 1495 146 146 GLU CA C 58.5 0.3 1 1496 146 146 GLU CB C 29.5 0.3 1 1497 146 146 GLU CG C 36.0 0.3 1 1498 146 146 GLU N N 122.7 0.3 1 1499 147 147 GLU H H 8.21 0.02 1 1500 147 147 GLU HA H 3.99 0.02 1 1501 147 147 GLU HB2 H 2.05 0.02 2 1502 147 147 GLU HB3 H 1.94 0.02 2 1503 147 147 GLU C C 179.3 0.3 1 1504 147 147 GLU CA C 59.8 0.3 1 1505 147 147 GLU CB C 29.2 0.3 1 1506 147 147 GLU CG C 36.5 0.3 1 1507 147 147 GLU N N 119.7 0.3 1 1508 148 148 ILE H H 7.58 0.02 1 1509 148 148 ILE HA H 3.28 0.02 1 1510 148 148 ILE HB H 1.72 0.02 1 1511 148 148 ILE HG2 H 0.27 0.02 1 1512 148 148 ILE HD1 H 1.18 0.02 1 1513 148 148 ILE C C 176.3 0.3 1 1514 148 148 ILE CA C 65.6 0.3 1 1515 148 148 ILE CB C 38.2 0.3 1 1516 148 148 ILE CG1 C 30.0 0.3 1 1517 148 148 ILE CG2 C 17.7 0.3 1 1518 148 148 ILE CD1 C 14.3 0.3 1 1519 148 148 ILE N N 121.5 0.3 1 1520 149 149 VAL H H 6.60 0.02 1 1521 149 149 VAL HA H 2.88 0.02 1 1522 149 149 VAL HB H 2.27 0.02 1 1523 149 149 VAL HG1 H 0.91 0.02 1 1524 149 149 VAL HG2 H 0.99 0.02 1 1525 149 149 VAL C C 177.1 0.3 1 1526 149 149 VAL CA C 67.6 0.3 1 1527 149 149 VAL CB C 31.1 0.3 1 1528 149 149 VAL CG1 C 21.6 0.3 1 1529 149 149 VAL CG2 C 24.1 0.3 1 1530 149 149 VAL N N 119.3 0.3 1 1531 150 150 ASN H H 7.78 0.02 1 1532 150 150 ASN HA H 4.29 0.02 1 1533 150 150 ASN HB2 H 2.76 0.02 2 1534 150 150 ASN HB3 H 2.83 0.02 2 1535 150 150 ASN HD21 H 6.84 0.02 1 1536 150 150 ASN HD22 H 7.50 0.02 1 1537 150 150 ASN C C 178.0 0.3 1 1538 150 150 ASN CA C 56.1 0.3 1 1539 150 150 ASN CB C 38.0 0.3 1 1540 150 150 ASN N N 115.4 0.3 1 1541 150 150 ASN ND2 N 112.3 0.3 1 1542 151 151 LYS H H 8.02 0.02 1 1543 151 151 LYS HA H 3.94 0.02 1 1544 151 151 LYS HB2 H 1.82 0.02 2 1545 151 151 LYS HB3 H 1.92 0.02 2 1546 151 151 LYS HG2 H 1.46 0.02 2 1547 151 151 LYS HG3 H 1.41 0.02 2 1548 151 151 LYS HD2 H 1.62 0.02 2 1549 151 151 LYS HD3 H 1.65 0.02 2 1550 151 151 LYS C C 178.2 0.3 1 1551 151 151 LYS CA C 59.9 0.3 1 1552 151 151 LYS CB C 32.4 0.3 1 1553 151 151 LYS CG C 25.2 0.3 1 1554 151 151 LYS CD C 29.4 0.3 1 1555 151 151 LYS CE C 41.9 0.3 1 1556 151 151 LYS N N 124.4 0.3 1 1557 152 152 ILE H H 7.93 0.02 1 1558 152 152 ILE HA H 3.31 0.02 1 1559 152 152 ILE HB H 1.39 0.02 1 1560 152 152 ILE HG12 H 1.06 0.02 2 1561 152 152 ILE HG13 H 0.29 0.02 2 1562 152 152 ILE HG2 H 0.48 0.02 1 1563 152 152 ILE HD1 H -0.58 0.02 1 1564 152 152 ILE C C 178.0 0.3 1 1565 152 152 ILE CA C 66.1 0.3 1 1566 152 152 ILE CB C 37.6 0.3 1 1567 152 152 ILE CG1 C 29.8 0.3 1 1568 152 152 ILE CG2 C 18.6 0.3 1 1569 152 152 ILE CD1 C 14.5 0.3 1 1570 152 152 ILE N N 121.7 0.3 1 1571 153 153 ILE H H 7.80 0.02 1 1572 153 153 ILE HA H 3.36 0.02 1 1573 153 153 ILE HB H 1.83 0.02 1 1574 153 153 ILE HG2 H 0.97 0.02 1 1575 153 153 ILE HD1 H 0.86 0.02 1 1576 153 153 ILE C C 178.0 0.3 1 1577 153 153 ILE CA C 65.8 0.3 1 1578 153 153 ILE CB C 38.0 0.3 1 1579 153 153 ILE CG1 C 30.4 0.3 1 1580 153 153 ILE CG2 C 17.2 0.3 1 1581 153 153 ILE CD1 C 15.1 0.3 1 1582 153 153 ILE N N 118.4 0.3 1 1583 154 154 THR H H 7.63 0.02 1 1584 154 154 THR HA H 3.97 0.02 1 1585 154 154 THR HB H 4.29 0.02 1 1586 154 154 THR HG2 H 1.26 0.02 1 1587 154 154 THR C C 176.0 0.3 1 1588 154 154 THR CA C 66.1 0.3 1 1589 154 154 THR CB C 69.1 0.3 1 1590 154 154 THR CG2 C 21.6 0.3 1 1591 154 154 THR N N 114.0 0.3 1 1592 155 155 GLU H H 8.37 0.02 1 1593 155 155 GLU HA H 3.92 0.02 1 1594 155 155 GLU HB2 H 2.02 0.02 2 1595 155 155 GLU HB3 H 1.91 0.02 2 1596 155 155 GLU HG2 H 2.23 0.02 2 1597 155 155 GLU HG3 H 2.47 0.02 2 1598 155 155 GLU C C 176.6 0.3 1 1599 155 155 GLU CA C 58.8 0.3 1 1600 155 155 GLU CB C 29.8 0.3 1 1601 155 155 GLU CG C 36.9 0.3 1 1602 155 155 GLU N N 122.9 0.3 1 1603 156 156 ALA H H 8.67 0.02 1 1604 156 156 ALA HA H 3.82 0.02 1 1605 156 156 ALA HB H 1.48 0.02 1 1606 156 156 ALA CA C 51.9 0.3 1 1607 156 156 ALA CB C 18.0 0.3 1 1608 156 156 ALA N N 121.0 0.3 1 1609 157 157 PRO HA H 4.47 0.02 1 1610 157 157 PRO HB2 H 2.21 0.02 2 1611 157 157 PRO HB3 H 1.92 0.02 2 1612 157 157 PRO HG2 H 2.09 0.02 2 1613 157 157 PRO HG3 H 2.45 0.02 2 1614 157 157 PRO HD2 H 3.37 0.02 2 1615 157 157 PRO HD3 H 3.50 0.02 2 1616 157 157 PRO C C 177.7 0.3 1 1617 157 157 PRO CA C 63.3 0.3 1 1618 157 157 PRO CB C 31.0 0.3 1 1619 157 157 PRO CG C 27.1 0.3 1 1620 157 157 PRO CD C 50.4 0.3 1 1621 158 158 LYS H H 8.41 0.02 1 1622 158 158 LYS HA H 4.43 0.02 1 1623 158 158 LYS HB2 H 1.67 0.02 2 1624 158 158 LYS HB3 H 1.57 0.02 2 1625 158 158 LYS HD2 H 1.66 0.02 2 1626 158 158 LYS HD3 H 1.60 0.02 2 1627 158 158 LYS HE2 H 2.92 0.02 2 1628 158 158 LYS HE3 H 3.03 0.02 2 1629 158 158 LYS C C 175.8 0.3 1 1630 158 158 LYS CA C 56.5 0.3 1 1631 158 158 LYS CB C 34.7 0.3 1 1632 158 158 LYS CG C 25.8 0.3 1 1633 158 158 LYS CD C 30.0 0.3 1 1634 158 158 LYS CE C 41.6 0.3 1 1635 158 158 LYS N N 123.9 0.3 1 1636 159 159 LEU H H 7.84 0.02 1 1637 159 159 LEU HA H 4.67 0.02 1 1638 159 159 LEU HB2 H 1.57 0.02 2 1639 159 159 LEU HB3 H 1.38 0.02 2 1640 159 159 LEU HG H 1.18 0.02 1 1641 159 159 LEU HD1 H 0.33 0.02 1 1642 159 159 LEU HD2 H 0.56 0.02 1 1643 159 159 LEU C C 176.9 0.3 1 1644 159 159 LEU CA C 52.8 0.3 1 1645 159 159 LEU CB C 41.8 0.3 1 1646 159 159 LEU CG C 27.1 0.3 1 1647 159 159 LEU CD1 C 25.8 0.3 1 1648 159 159 LEU CD2 C 23.2 0.3 1 1649 159 159 LEU N N 122.7 0.3 1 1650 160 160 GLY H H 8.63 0.02 1 1651 160 160 GLY HA2 H 3.65 0.02 2 1652 160 160 GLY HA3 H 3.94 0.02 2 1653 160 160 GLY CA C 47.1 0.3 1 1654 160 160 GLY N N 118.5 0.3 1 1655 161 161 GLU H H 8.82 0.02 1 1656 161 161 GLU HA H 4.20 0.02 1 1657 161 161 GLU HB2 H 1.85 0.02 2 1658 161 161 GLU HB3 H 2.22 0.02 2 1659 161 161 GLU HG2 H 2.17 0.02 2 1660 161 161 GLU HG3 H 1.92 0.02 2 1661 161 161 GLU CA C 56.3 0.3 1 1662 161 161 GLU CB C 29.7 0.3 1 1663 161 161 GLU CG C 36.5 0.3 1 1664 161 161 GLU N N 125.5 0.3 1 1665 162 162 LYS H H 7.94 0.02 1 1666 162 162 LYS HA H 4.25 0.02 1 1667 162 162 LYS HB2 H 1.83 0.02 2 1668 162 162 LYS HB3 H 1.76 0.02 2 1669 162 162 LYS HG2 H 1.35 0.02 2 1670 162 162 LYS HG3 H 1.31 0.02 2 1671 162 162 LYS HD2 H 1.59 0.02 2 1672 162 162 LYS HD3 H 1.57 0.02 2 1673 162 162 LYS C C 174.3 0.3 1 1674 162 162 LYS CA C 55.9 0.3 1 1675 162 162 LYS CB C 33.1 0.3 1 1676 162 162 LYS CG C 24.4 0.3 1 1677 162 162 LYS CD C 28.8 0.3 1 1678 162 162 LYS CE C 42.0 0.3 1 1679 162 162 LYS N N 122.9 0.3 1 1680 163 163 GLU H H 8.35 0.02 1 1681 163 163 GLU HA H 4.26 0.02 1 1682 163 163 GLU HB2 H 1.92 0.02 2 1683 163 163 GLU HB3 H 2.00 0.02 2 1684 163 163 GLU HG2 H 2.32 0.02 2 1685 163 163 GLU HG3 H 2.20 0.02 2 1686 163 163 GLU CA C 56.2 0.3 1 1687 163 163 GLU CB C 30.1 0.3 1 1688 163 163 GLU CG C 36.3 0.3 1 1689 163 163 GLU N N 124.6 0.3 1 1690 164 164 LEU H H 8.27 0.02 1 1691 164 164 LEU HA H 4.39 0.02 1 1692 164 164 LEU HB2 H 1.39 0.02 2 1693 164 164 LEU HB3 H 0.58 0.02 2 1694 164 164 LEU HG H -0.08 0.02 1 1695 164 164 LEU CA C 53.0 0.3 1 1696 164 164 LEU CB C 44.1 0.3 1 1697 164 164 LEU CG C 25.6 0.3 1 1698 164 164 LEU CD1 C 21.8 0.3 1 1699 164 164 LEU CD2 C 19.1 0.3 1 1700 164 164 LEU N N 126.9 0.3 1 1701 165 165 ILE H H 7.58 0.02 1 1702 165 165 ILE HA H 4.22 0.02 1 1703 165 165 ILE HB H 1.51 0.02 1 1704 165 165 ILE HG12 H 1.41 0.02 2 1705 165 165 ILE HG13 H 1.18 0.02 2 1706 165 165 ILE HG2 H 0.87 0.02 1 1707 165 165 ILE HD1 H 0.79 0.02 1 1708 165 165 ILE C C 175.7 0.3 1 1709 165 165 ILE CA C 59.7 0.3 1 1710 165 165 ILE CB C 39.4 0.3 1 1711 165 165 ILE CG1 C 28.1 0.3 1 1712 165 165 ILE CG2 C 17.4 0.3 1 1713 165 165 ILE CD1 C 12.7 0.3 1 1714 165 165 ILE N N 120.9 0.3 1 1715 166 166 TYR H H 8.65 0.02 1 1716 166 166 TYR HA H 5.43 0.02 1 1717 166 166 TYR HB2 H 2.91 0.02 2 1718 166 166 TYR HB3 H 2.96 0.02 2 1719 166 166 TYR C C 174.7 0.3 1 1720 166 166 TYR CA C 57.0 0.3 1 1721 166 166 TYR CB C 42.5 0.3 1 1722 166 166 TYR CD1 C 132.5 0.3 1 1723 166 166 TYR CE1 C 118.5 0.3 1 1724 166 166 TYR N N 126.6 0.3 1 1725 167 167 GLN H H 9.56 0.02 1 1726 167 167 GLN HA H 5.00 0.02 1 1727 167 167 GLN HB2 H 2.22 0.02 2 1728 167 167 GLN HB3 H 2.14 0.02 2 1729 167 167 GLN HG2 H 2.45 0.02 2 1730 167 167 GLN HG3 H 2.38 0.02 2 1731 167 167 GLN HE21 H 6.47 0.02 1 1732 167 167 GLN HE22 H 6.91 0.02 1 1733 167 167 GLN C C 175.4 0.3 1 1734 167 167 GLN CA C 54.2 0.3 1 1735 167 167 GLN CB C 35.4 0.3 1 1736 167 167 GLN CG C 36.1 0.3 1 1737 167 167 GLN N N 121.1 0.3 1 1738 167 167 GLN NE2 N 120.0 0.3 1 1739 168 168 THR H H 8.66 0.02 1 1740 168 168 THR HA H 4.49 0.02 1 1741 168 168 THR HB H 4.93 0.02 1 1742 168 168 THR HG2 H 1.40 0.02 1 1743 168 168 THR C C 175.3 0.3 1 1744 168 168 THR CA C 61.3 0.3 1 1745 168 168 THR CB C 70.7 0.3 1 1746 168 168 THR CG2 C 22.4 0.3 1 1747 168 168 THR N N 111.9 0.3 1 1748 169 169 PHE H H 8.48 0.02 1 1749 169 169 PHE HA H 4.15 0.02 1 1750 169 169 PHE HB2 H 3.16 0.02 2 1751 169 169 PHE HB3 H 3.19 0.02 2 1752 169 169 PHE C C 177.7 0.3 1 1753 169 169 PHE CA C 62.0 0.3 1 1754 169 169 PHE CB C 39.4 0.3 1 1755 169 169 PHE CD1 C 129.0 0.3 1 1756 169 169 PHE CE1 C 130.9 0.3 1 1757 169 169 PHE N N 121.9 0.3 1 1758 170 170 LYS H H 8.75 0.02 1 1759 170 170 LYS HA H 3.85 0.02 1 1760 170 170 LYS HB2 H 1.90 0.02 2 1761 170 170 LYS HB3 H 1.78 0.02 2 1762 170 170 LYS HG2 H 1.40 0.02 2 1763 170 170 LYS HG3 H 1.46 0.02 2 1764 170 170 LYS C C 177.4 0.3 1 1765 170 170 LYS CA C 59.3 0.3 1 1766 170 170 LYS CB C 32.2 0.3 1 1767 170 170 LYS CG C 24.8 0.3 1 1768 170 170 LYS CD C 29.0 0.3 1 1769 170 170 LYS CE C 41.9 0.3 1 1770 170 170 LYS N N 121.1 0.3 1 1771 171 171 GLN H H 7.75 0.02 1 1772 171 171 GLN HA H 4.00 0.02 1 1773 171 171 GLN HB2 H 1.97 0.02 2 1774 171 171 GLN HB3 H 2.11 0.02 2 1775 171 171 GLN HG2 H 2.21 0.02 2 1776 171 171 GLN HG3 H 2.44 0.02 2 1777 171 171 GLN HE21 H 7.27 0.02 1 1778 171 171 GLN HE22 H 6.83 0.02 1 1779 171 171 GLN C C 173.7 0.3 1 1780 171 171 GLN CA C 59.1 0.3 1 1781 171 171 GLN CB C 28.4 0.3 1 1782 171 171 GLN CG C 33.8 0.3 1 1783 171 171 GLN N N 119.7 0.3 1 1784 171 171 GLN NE2 N 112.3 0.3 1 1785 172 172 PHE H H 7.90 0.02 1 1786 172 172 PHE HA H 3.99 0.02 1 1787 172 172 PHE C C 176.6 0.3 1 1788 172 172 PHE CA C 59.7 0.3 1 1789 172 172 PHE CB C 38.3 0.3 1 1790 172 172 PHE CD1 C 132.2 0.3 1 1791 172 172 PHE CE1 C 130.6 0.3 1 1792 172 172 PHE N N 120.9 0.3 1 1793 173 173 SER H H 8.27 0.02 1 1794 173 173 SER HA H 4.17 0.02 1 1795 173 173 SER HB2 H 3.55 0.02 2 1796 173 173 SER HB3 H 3.41 0.02 2 1797 173 173 SER C C 175.7 0.3 1 1798 173 173 SER CA C 60.7 0.3 1 1799 173 173 SER CB C 62.8 0.3 1 1800 173 173 SER N N 115.5 0.3 1 1801 174 174 ASP H H 8.01 0.02 1 1802 174 174 ASP HA H 4.33 0.02 1 1803 174 174 ASP HB2 H 2.70 0.02 2 1804 174 174 ASP HB3 H 2.58 0.02 2 1805 174 174 ASP C C 177.9 0.3 1 1806 174 174 ASP CA C 56.3 0.3 1 1807 174 174 ASP CB C 40.7 0.3 1 1808 174 174 ASP N N 122.3 0.3 1 1809 175 175 GLU H H 7.56 0.02 1 1810 175 175 GLU HA H 4.03 0.02 1 1811 175 175 GLU C C 177.4 0.3 1 1812 175 175 GLU CA C 58.1 0.3 1 1813 175 175 GLU CB C 29.8 0.3 1 1814 175 175 GLU CG C 36.5 0.3 1 1815 175 175 GLU N N 119.9 0.3 1 1816 176 176 LYS H H 7.65 0.02 1 1817 176 176 LYS HA H 3.99 0.02 1 1818 176 176 LYS HB2 H 1.41 0.02 2 1819 176 176 LYS HB3 H 1.61 0.02 2 1820 176 176 LYS HG2 H 1.11 0.02 2 1821 176 176 LYS HG3 H 1.09 0.02 2 1822 176 176 LYS HD2 H 1.40 0.02 2 1823 176 176 LYS HD3 H 1.45 0.02 2 1824 176 176 LYS HE2 H 2.84 0.02 2 1825 176 176 LYS HE3 H 2.78 0.02 2 1826 176 176 LYS C C 177.2 0.3 1 1827 176 176 LYS CA C 56.3 0.3 1 1828 176 176 LYS CB C 31.3 0.3 1 1829 176 176 LYS CG C 24.4 0.3 1 1830 176 176 LYS CD C 28.4 0.3 1 1831 176 176 LYS CE C 41.8 0.3 1 1832 176 176 LYS N N 120.7 0.3 1 1833 177 177 LYS H H 7.75 0.02 1 1834 177 177 LYS HA H 4.13 0.02 1 1835 177 177 LYS HB2 H 1.87 0.02 2 1836 177 177 LYS HB3 H 1.79 0.02 2 1837 177 177 LYS HG2 H 1.35 0.02 2 1838 177 177 LYS HG3 H 1.39 0.02 2 1839 177 177 LYS HD2 H 1.71 0.02 2 1840 177 177 LYS HD3 H 1.62 0.02 2 1841 177 177 LYS C C 176.7 0.3 1 1842 177 177 LYS CA C 57.4 0.3 1 1843 177 177 LYS CB C 32.7 0.3 1 1844 177 177 LYS CG C 24.6 0.3 1 1845 177 177 LYS CD C 29.2 0.3 1 1846 177 177 LYS CE C 42.5 0.3 1 1847 177 177 LYS N N 121.6 0.3 1 1848 178 178 ASP H H 8.14 0.02 1 1849 178 178 ASP HA H 4.57 0.02 1 1850 178 178 ASP HB2 H 2.70 0.02 2 1851 178 178 ASP HB3 H 2.60 0.02 2 1852 178 178 ASP C C 176.4 0.3 1 1853 178 178 ASP CA C 54.5 0.3 1 1854 178 178 ASP CB C 41.3 0.3 1 1855 178 178 ASP N N 120.7 0.3 1 1856 179 179 GLU H H 8.04 0.02 1 1857 179 179 GLU HA H 4.18 0.02 1 1858 179 179 GLU HB2 H 2.02 0.02 2 1859 179 179 GLU HB3 H 1.95 0.02 2 1860 179 179 GLU HG2 H 2.26 0.02 2 1861 179 179 GLU HG3 H 2.22 0.02 2 1862 179 179 GLU C C 175.9 0.3 1 1863 179 179 GLU CA C 56.4 0.3 1 1864 179 179 GLU CB C 30.0 0.3 1 1865 179 179 GLU CG C 36.3 0.3 1 1866 179 179 GLU N N 121.7 0.3 1 1867 180 180 LYS H H 8.00 0.02 1 1868 180 180 LYS HA H 4.28 0.02 1 1869 180 180 LYS HB2 H 1.84 0.02 2 1870 180 180 LYS HB3 H 1.78 0.02 2 1871 180 180 LYS HG2 H 1.29 0.02 2 1872 180 180 LYS HG3 H 1.23 0.02 2 1873 180 180 LYS HD2 H 1.56 0.02 2 1874 180 180 LYS HD3 H 1.61 0.02 2 1875 180 180 LYS C C 176.3 0.3 1 1876 180 180 LYS CA C 56.2 0.3 1 1877 180 180 LYS CB C 33.2 0.3 1 1878 180 180 LYS CG C 24.5 0.3 1 1879 180 180 LYS CD C 28.8 0.3 1 1880 180 180 LYS CE C 41.9 0.3 1 1881 180 180 LYS N N 122.7 0.3 1 1882 181 181 GLU H H 8.24 0.02 1 1883 181 181 GLU HA H 4.20 0.02 1 1884 181 181 GLU HB2 H 1.96 0.02 2 1885 181 181 GLU HB3 H 1.90 0.02 2 1886 181 181 GLU HG2 H 2.17 0.02 2 1887 181 181 GLU HG3 H 2.21 0.02 2 1888 181 181 GLU CA C 56.6 0.3 1 1889 181 181 GLU CB C 30.2 0.3 1 1890 181 181 GLU CG C 36.1 0.3 1 1891 181 181 GLU N N 122.0 0.3 1 1892 182 182 LYS HA H 4.31 0.02 1 1893 182 182 LYS HB2 H 1.83 0.02 2 1894 182 182 LYS HB3 H 1.79 0.02 2 1895 182 182 LYS HG2 H 1.23 0.02 2 1896 182 182 LYS HG3 H 1.26 0.02 2 1897 182 182 LYS C C 176.0 0.3 1 1898 182 182 LYS CA C 56.0 0.3 1 1899 182 182 LYS CB C 33.2 0.3 1 1900 182 182 LYS CG C 24.4 0.3 1 1901 182 182 LYS CD C 28.8 0.3 1 1902 182 182 LYS CE C 42.0 0.3 1 1903 183 183 PHE H H 8.37 0.02 1 1904 183 183 PHE HA H 4.51 0.02 1 1905 183 183 PHE HB2 H 2.60 0.02 2 1906 183 183 PHE HB3 H 2.66 0.02 2 1907 183 183 PHE C C 174.6 0.3 1 1908 183 183 PHE CA C 53.1 0.3 1 1909 183 183 PHE CB C 39.0 0.3 1 1910 183 183 PHE CD1 C 132.7 0.3 1 1911 183 183 PHE CE1 C 131.9 0.3 1 1912 183 183 PHE N N 122.9 0.3 1 1913 184 184 PHE H H 8.04 0.02 1 1914 184 184 PHE HA H 4.12 0.02 1 1915 184 184 PHE HB2 H 2.64 0.02 2 1916 184 184 PHE HB3 H 2.55 0.02 2 1917 184 184 PHE CA C 56.5 0.3 1 1918 184 184 PHE CB C 39.8 0.3 1 1919 184 184 PHE CD1 C 132.3 0.3 1 1920 184 184 PHE N N 121.3 0.3 1 1921 185 185 ALA H H 8.04 0.02 1 1922 185 185 ALA HA H 4.30 0.02 1 1923 185 185 ALA HB H 1.39 0.02 1 1924 185 185 ALA C C 177.0 0.3 1 1925 185 185 ALA CA C 51.9 0.3 1 1926 185 185 ALA CB C 19.3 0.3 1 1927 185 185 ALA N N 125.2 0.3 1 1928 186 186 SER H H 8.35 0.02 1 1929 186 186 SER HA H 4.01 0.02 1 1930 186 186 SER HB2 H 3.86 0.02 2 1931 186 186 SER HB3 H 3.79 0.02 2 1932 186 186 SER C C 175.6 0.3 1 1933 186 186 SER CA C 58.1 0.3 1 1934 186 186 SER CB C 63.7 0.3 1 1935 186 186 SER N N 116.6 0.3 1 1936 187 187 THR H H 8.27 0.02 1 1937 187 187 THR HA H 4.32 0.02 1 1938 187 187 THR HB H 4.27 0.02 1 1939 187 187 THR HG2 H 1.27 0.02 1 1940 187 187 THR C C 177.0 0.3 1 1941 187 187 THR CA C 61.8 0.3 1 1942 187 187 THR CB C 69.6 0.3 1 1943 187 187 THR CG2 C 21.3 0.3 1 1944 187 187 THR N N 116.5 0.3 1 1945 188 188 ASN H H 8.30 0.02 1 1946 188 188 ASN HA H 4.74 0.02 1 1947 188 188 ASN HD21 H 7.55 0.02 1 1948 188 188 ASN HD22 H 6.83 0.02 1 1949 188 188 ASN C C 175.7 0.3 1 1950 188 188 ASN CA C 53.5 0.3 1 1951 188 188 ASN CB C 39.0 0.3 1 1952 188 188 ASN N N 121.6 0.3 1 1953 188 188 ASN ND2 N 112.9 0.3 1 1954 189 189 GLY H H 8.25 0.02 1 1955 189 189 GLY HA2 H 3.88 0.02 2 1956 189 189 GLY HA3 H 3.93 0.02 2 1957 189 189 GLY C C 173.9 0.3 1 1958 189 189 GLY CA C 45.5 0.3 1 1959 189 189 GLY N N 109.9 0.3 1 1960 190 190 ASP H H 8.13 0.02 1 1961 190 190 ASP HA H 4.51 0.02 1 1962 190 190 ASP HB2 H 2.67 0.02 2 1963 190 190 ASP HB3 H 2.62 0.02 2 1964 190 190 ASP C C 176.0 0.3 1 1965 190 190 ASP CA C 54.4 0.3 1 1966 190 190 ASP CB C 41.2 0.3 1 1967 190 190 ASP N N 121.1 0.3 1 1968 191 191 LYS H H 8.08 0.02 1 1969 191 191 LYS HA H 4.21 0.02 1 1970 191 191 LYS HB2 H 2.02 0.02 2 1971 191 191 LYS HB3 H 1.96 0.02 2 1972 191 191 LYS HG2 H 1.43 0.02 2 1973 191 191 LYS HG3 H 1.37 0.02 2 1974 191 191 LYS CA C 56.1 0.3 1 1975 191 191 LYS CB C 33.0 0.3 1 1976 191 191 LYS CG C 24.4 0.3 1 1977 191 191 LYS CD C 28.8 0.3 1 1978 191 191 LYS CE C 41.9 0.3 1 1979 191 191 LYS N N 121.5 0.3 1 stop_ save_