data_19967 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR assignment of C-terminal RRM domain of La protein from D. discoideum. ; _BMRB_accession_number 19967 _BMRB_flat_file_name bmr19967.str _Entry_type original _Submission_date 2014-05-12 _Accession_date 2014-05-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'CRRM domain is consisted of 105 aa: K214-K318 (ID uniprot: Q54TG6)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bouras Georgios . . 2 Argyriou Aikaterini I. . 3 Makrynitsa Garyfallia I. . 4 Apostolidi Maria . . 5 Chasapis Christos T. . 6 Stathopoulos Constantinos . . 7 Bentrop Detlef . . 8 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" 643 "13C chemical shifts" 460 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-27 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 18620 'NMR Chemical Shift Assignments of N terminal RRM domain of La protein' 5235 ; Resonance assignment and secondary structure determination of a C-terminal fragment of the Lupus Autoantigen (La) protein containing a putative RNA recognition motif (RRM) ; stop_ _Original_release_date 2014-05-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side chain NMR assignment, along with the secondary structure prediction of RRM2 domain of La protein from a lower eukaryote exhibiting identical structural organization with its human homolog ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25281001 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Argyriou Aikaterini I. . 2 Chasapis Christos T. . 3 Apostolidi Maria . . 4 Konstantinidou Parthena . . 5 Stathopoulos Constantinos . . 6 Bentrop Detlef . . 7 Spyroulias Georgios A. . stop_ _Journal_abbreviation 'Biomol NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 219 _Page_last 222 _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 'CRRM domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CRRM domain' $CRRM stop_ _System_molecular_weight 12027.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'RNA processing' 'interaction with the 5 - untrasnlated region (UTR) of some cellular mRNAs' 'recognition of the 5 -ppp end of nascent RNA with a mechanism modulated by phosphorylation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CRRM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CRRM _Molecular_mass 12027.6 _Mol_thiol_state 'all free' loop_ _Biological_function 'RNA processing' 'interaction with the 5 - untrasnlated region (UTR) of some cellular mRNAs' 'recognition of the 5 -ppp end of nascent RNA' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; KDVKKEVEEEEVMIPGVILC FKGVGKGLHRGDIKEIFSQY GEVQFVGYNSDEENGSVRYK TAESCKRAIESLTETKKEIG GQIPTYNLLEGEEEKKEWEK IIERK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 LYS 2 2 ASP 3 3 VAL 4 4 LYS 5 5 LYS 6 6 GLU 7 7 VAL 8 8 GLU 9 9 GLU 10 10 GLU 11 11 GLU 12 12 VAL 13 13 MET 14 14 ILE 15 15 PRO 16 16 GLY 17 17 VAL 18 18 ILE 19 19 LEU 20 20 CYS 21 21 PHE 22 22 LYS 23 23 GLY 24 24 VAL 25 25 GLY 26 26 LYS 27 27 GLY 28 28 LEU 29 29 HIS 30 30 ARG 31 31 GLY 32 32 ASP 33 33 ILE 34 34 LYS 35 35 GLU 36 36 ILE 37 37 PHE 38 38 SER 39 39 GLN 40 40 TYR 41 41 GLY 42 42 GLU 43 43 VAL 44 44 GLN 45 45 PHE 46 46 VAL 47 47 GLY 48 48 TYR 49 49 ASN 50 50 SER 51 51 ASP 52 52 GLU 53 53 GLU 54 54 ASN 55 55 GLY 56 56 SER 57 57 VAL 58 58 ARG 59 59 TYR 60 60 LYS 61 61 THR 62 62 ALA 63 63 GLU 64 64 SER 65 65 CYS 66 66 LYS 67 67 ARG 68 68 ALA 69 69 ILE 70 70 GLU 71 71 SER 72 72 LEU 73 73 THR 74 74 GLU 75 75 THR 76 76 LYS 77 77 LYS 78 78 GLU 79 79 ILE 80 80 GLY 81 81 GLY 82 82 GLN 83 83 ILE 84 84 PRO 85 85 THR 86 86 TYR 87 87 ASN 88 88 LEU 89 89 LEU 90 90 GLU 91 91 GLY 92 92 GLU 93 93 GLU 94 94 GLU 95 95 LYS 96 96 LYS 97 97 GLU 98 98 TRP 99 99 GLU 100 100 LYS 101 101 ILE 102 102 ILE 103 103 GLU 104 104 ARG 105 105 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q54TG6 'Lupus La protein' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $CRRM 'cellular slime mold' 44689 Eukaryota . Dictyostelium discoideum DDB_0204655,DDB_G0281763 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 $CRRM '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 $CRRM 0.8 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 $CRRM 0.8 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CRRM 0.8 mM 'natural abundance' 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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(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_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 HNCACB' '3D HNCA' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CRRM domain' _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 LYS CA C 56.400 0.3 1 2 1 1 LYS CB C 33.134 0.3 1 3 2 2 ASP H H 8.503 0.020 1 4 2 2 ASP HA H 4.609 0.020 1 5 2 2 ASP HB2 H 2.711 0.020 2 6 2 2 ASP HB3 H 2.573 0.020 2 7 2 2 ASP C C 176.212 0.3 1 8 2 2 ASP CA C 54.175 0.3 1 9 2 2 ASP CB C 41.150 0.3 1 10 2 2 ASP N N 122.294 0.3 1 11 3 3 VAL H H 8.113 0.020 1 12 3 3 VAL HA H 4.112 0.020 1 13 3 3 VAL HB H 2.069 0.020 1 14 3 3 VAL HG1 H 0.933 0.020 1 15 3 3 VAL HG2 H 0.933 0.020 1 16 3 3 VAL C C 176.073 0.3 1 17 3 3 VAL CA C 62.194 0.3 1 18 3 3 VAL CB C 32.729 0.3 1 19 3 3 VAL CG1 C 21.183 0.3 1 20 3 3 VAL CG2 C 20.399 0.3 1 21 3 3 VAL N N 120.702 0.3 1 22 4 4 LYS H H 8.396 0.020 1 23 4 4 LYS HA H 4.301 0.020 1 24 4 4 LYS HB2 H 1.818 0.020 2 25 4 4 LYS HB3 H 1.762 0.020 2 26 4 4 LYS HG2 H 1.442 0.020 1 27 4 4 LYS HG3 H 1.442 0.020 1 28 4 4 LYS HD2 H 1.675 0.020 2 29 4 4 LYS HD3 H 1.422 0.020 2 30 4 4 LYS HE2 H 2.995 0.020 1 31 4 4 LYS HE3 H 2.995 0.020 1 32 4 4 LYS C C 176.347 0.3 1 33 4 4 LYS CA C 56.218 0.3 1 34 4 4 LYS CB C 32.708 0.3 1 35 4 4 LYS CG C 24.576 0.3 1 36 4 4 LYS CD C 28.897 0.3 1 37 4 4 LYS CE C 41.907 0.3 1 38 4 4 LYS N N 125.259 0.3 1 39 5 5 LYS H H 8.331 0.020 1 40 5 5 LYS HA H 4.308 0.020 1 41 5 5 LYS HB2 H 1.816 0.020 2 42 5 5 LYS HB3 H 1.755 0.020 2 43 5 5 LYS HG2 H 1.423 0.020 1 44 5 5 LYS HG3 H 1.423 0.020 1 45 5 5 LYS HD2 H 1.684 0.020 1 46 5 5 LYS HD3 H 1.684 0.020 1 47 5 5 LYS HE2 H 2.996 0.020 1 48 5 5 LYS HE3 H 2.996 0.020 1 49 5 5 LYS C C 176.390 0.3 1 50 5 5 LYS CA C 56.414 0.3 1 51 5 5 LYS CB C 32.951 0.3 1 52 5 5 LYS CG C 24.739 0.3 1 53 5 5 LYS CD C 28.962 0.3 1 54 5 5 LYS CE C 42.098 0.3 1 55 5 5 LYS N N 123.377 0.3 1 56 6 6 GLU H H 8.503 0.020 1 57 6 6 GLU HA H 4.301 0.020 1 58 6 6 GLU HB2 H 2.049 0.020 2 59 6 6 GLU HB3 H 1.937 0.020 2 60 6 6 GLU HG2 H 2.272 0.020 2 61 6 6 GLU HG3 H 1.921 0.020 2 62 6 6 GLU C C 176.361 0.3 1 63 6 6 GLU CA C 56.534 0.3 1 64 6 6 GLU CB C 30.244 0.3 1 65 6 6 GLU CG C 36.338 0.3 1 66 6 6 GLU N N 122.513 0.3 1 67 7 7 VAL H H 8.118 0.020 1 68 7 7 VAL HA H 4.099 0.020 1 69 7 7 VAL HB H 2.073 0.020 1 70 7 7 VAL HG1 H 0.938 0.020 1 71 7 7 VAL HG2 H 0.938 0.020 1 72 7 7 VAL C C 176.198 0.3 1 73 7 7 VAL CA C 62.189 0.3 1 74 7 7 VAL CB C 32.664 0.3 1 75 7 7 VAL CG1 C 20.377 0.3 1 76 7 7 VAL CG2 C 21.158 0.3 1 77 7 7 VAL N N 120.178 0.3 1 78 8 8 GLU H H 8.480 0.020 1 79 8 8 GLU HA H 4.307 0.020 1 80 8 8 GLU HB2 H 2.049 0.020 2 81 8 8 GLU HB3 H 1.923 0.020 2 82 8 8 GLU HG2 H 2.268 0.020 1 83 8 8 GLU HG3 H 2.268 0.020 1 84 8 8 GLU C C 176.282 0.3 1 85 8 8 GLU CA C 56.464 0.3 1 86 8 8 GLU CB C 30.234 0.3 1 87 8 8 GLU CG C 36.312 0.3 1 88 8 8 GLU N N 124.684 0.3 1 89 9 9 GLU H H 8.438 0.020 1 90 9 9 GLU HA H 4.304 0.020 1 91 9 9 GLU HB2 H 1.938 0.020 2 92 9 9 GLU HB3 H 2.050 0.020 2 93 9 9 GLU HG2 H 1.937 0.020 2 94 9 9 GLU HG3 H 2.043 0.020 2 95 9 9 GLU C C 176.287 0.3 1 96 9 9 GLU CA C 56.461 0.3 1 97 9 9 GLU CB C 30.504 0.3 1 98 9 9 GLU CG C 36.305 0.3 1 99 9 9 GLU N N 122.148 0.3 1 100 10 10 GLU H H 8.496 0.020 1 101 10 10 GLU HA H 4.279 0.020 1 102 10 10 GLU HB2 H 2.056 0.020 2 103 10 10 GLU HB3 H 1.930 0.020 2 104 10 10 GLU HG2 H 2.261 0.020 1 105 10 10 GLU HG3 H 2.261 0.020 1 106 10 10 GLU C C 176.410 0.3 1 107 10 10 GLU CA C 56.569 0.3 1 108 10 10 GLU CB C 30.211 0.3 1 109 10 10 GLU CG C 36.389 0.3 1 110 10 10 GLU N N 122.722 0.3 1 111 11 11 GLU H H 8.106 0.020 1 112 11 11 GLU HA H 4.297 0.020 1 113 11 11 GLU HB2 H 2.058 0.020 2 114 11 11 GLU HB3 H 1.942 0.020 2 115 11 11 GLU HG2 H 2.270 0.020 1 116 11 11 GLU HG3 H 2.270 0.020 1 117 11 11 GLU C C 175.203 0.3 1 118 11 11 GLU CA C 56.417 0.3 1 119 11 11 GLU CB C 30.284 0.3 1 120 11 11 GLU CG C 36.333 0.3 1 121 11 11 GLU N N 119.074 0.3 1 122 12 12 VAL H H 7.868 0.020 1 123 12 12 VAL HA H 4.088 0.020 1 124 12 12 VAL HB H 1.935 0.020 1 125 12 12 VAL HG1 H 0.830 0.020 1 126 12 12 VAL HG2 H 0.830 0.020 1 127 12 12 VAL C C 174.396 0.3 1 128 12 12 VAL CA C 60.797 0.3 1 129 12 12 VAL CB C 33.631 0.3 1 130 12 12 VAL CG1 C 19.828 0.3 1 131 12 12 VAL CG2 C 21.080 0.3 1 132 12 12 VAL N N 119.948 0.3 1 133 13 13 MET H H 7.895 0.020 1 134 13 13 MET HA H 4.322 0.020 1 135 13 13 MET HB2 H 1.811 0.020 1 136 13 13 MET HB3 H 1.811 0.020 1 137 13 13 MET HG2 H 1.686 0.020 1 138 13 13 MET HG3 H 1.686 0.020 1 139 13 13 MET C C 174.917 0.3 1 140 13 13 MET CA C 56.260 0.3 1 141 13 13 MET CB C 32.204 0.3 1 142 13 13 MET CG C 28.995 0.3 1 143 13 13 MET N N 122.665 0.3 1 144 14 14 ILE HA H 4.390 0.020 1 145 14 14 ILE HB H 1.913 0.020 1 146 14 14 ILE HG12 H 1.122 0.020 2 147 14 14 ILE HG13 H 1.566 0.020 2 148 14 14 ILE HG2 H 0.968 0.020 1 149 14 14 ILE HD1 H 0.954 0.020 1 150 14 14 ILE CA C 57.508 0.3 1 151 14 14 ILE CB C 39.321 0.3 1 152 14 14 ILE CG1 C 26.249 0.3 1 153 14 14 ILE CG2 C 17.450 0.3 1 154 14 14 ILE CD1 C 12.993 0.3 1 155 15 15 PRO HA H 4.470 0.020 1 156 15 15 PRO HB2 H 2.331 0.020 2 157 15 15 PRO HB3 H 1.946 0.020 2 158 15 15 PRO HG2 H 2.062 0.020 2 159 15 15 PRO HG3 H 1.875 0.020 2 160 15 15 PRO HD2 H 3.698 0.020 1 161 15 15 PRO HD3 H 3.698 0.020 1 162 15 15 PRO C C 178.087 0.3 1 163 15 15 PRO CA C 62.799 0.3 1 164 15 15 PRO CB C 32.438 0.3 1 165 15 15 PRO CG C 27.208 0.3 1 166 15 15 PRO CD C 51.048 0.3 1 167 16 16 GLY H H 9.416 0.020 1 168 16 16 GLY HA2 H 4.184 0.020 2 169 16 16 GLY HA3 H 4.048 0.020 2 170 16 16 GLY CA C 47.276 0.3 1 171 16 16 GLY N N 110.033 0.3 1 172 17 17 VAL H H 7.859 0.020 1 173 17 17 VAL HA H 4.673 0.020 1 174 17 17 VAL HB H 2.873 0.020 1 175 17 17 VAL HG1 H 1.280 0.020 1 176 17 17 VAL HG2 H 0.652 0.020 1 177 17 17 VAL C C 175.482 0.3 1 178 17 17 VAL CA C 61.614 0.3 1 179 17 17 VAL CB C 32.183 0.3 1 180 17 17 VAL CG1 C 19.332 0.3 1 181 17 17 VAL CG2 C 21.449 0.3 1 182 17 17 VAL N N 107.916 0.3 1 183 18 18 ILE H H 8.866 0.020 1 184 18 18 ILE HA H 5.013 0.020 1 185 18 18 ILE HB H 1.930 0.020 1 186 18 18 ILE HG12 H 0.647 0.020 1 187 18 18 ILE HG13 H 0.647 0.020 1 188 18 18 ILE HG2 H 0.785 0.020 1 189 18 18 ILE HD1 H 0.640 0.020 1 190 18 18 ILE C C 174.160 0.3 1 191 18 18 ILE CA C 61.459 0.3 1 192 18 18 ILE CB C 38.501 0.3 1 193 18 18 ILE CG1 C 27.828 0.3 1 194 18 18 ILE CG2 C 18.131 0.3 1 195 18 18 ILE CD1 C 14.085 0.3 1 196 18 18 ILE N N 121.908 0.3 1 197 19 19 LEU H H 9.054 0.020 1 198 19 19 LEU HA H 4.995 0.020 1 199 19 19 LEU HB2 H 1.951 0.020 2 200 19 19 LEU HB3 H 1.875 0.020 2 201 19 19 LEU HG H 1.810 0.020 1 202 19 19 LEU HD1 H 1.091 0.020 1 203 19 19 LEU HD2 H 1.034 0.020 1 204 19 19 LEU C C 175.428 0.3 1 205 19 19 LEU CA C 53.439 0.3 1 206 19 19 LEU CB C 45.096 0.3 1 207 19 19 LEU CG C 27.283 0.3 1 208 19 19 LEU CD1 C 26.516 0.3 1 209 19 19 LEU CD2 C 26.172 0.3 1 210 19 19 LEU N N 129.001 0.3 1 211 20 20 CYS H H 9.206 0.020 1 212 20 20 CYS HA H 5.024 0.020 1 213 20 20 CYS HB2 H 1.830 0.020 2 214 20 20 CYS HB3 H 2.932 0.020 2 215 20 20 CYS C C 173.465 0.3 1 216 20 20 CYS CA C 57.363 0.3 1 217 20 20 CYS CB C 29.393 0.3 1 218 20 20 CYS N N 122.473 0.3 1 219 21 21 PHE H H 8.194 0.020 1 220 21 21 PHE HA H 5.807 0.020 1 221 21 21 PHE HB2 H 2.917 0.020 2 222 21 21 PHE HB3 H 2.778 0.020 2 223 21 21 PHE HD1 H 7.005 0.020 3 224 21 21 PHE HD2 H 6.710 0.020 3 225 21 21 PHE HE1 H 6.489 0.020 1 226 21 21 PHE HZ H 7.061 0.020 1 227 21 21 PHE C C 173.915 0.3 1 228 21 21 PHE CA C 53.889 0.3 1 229 21 21 PHE CB C 43.054 0.3 1 230 21 21 PHE CD1 C 131.602 0.3 1 231 21 21 PHE CD2 C 131.682 0.3 1 232 21 21 PHE CE1 C 116.361 0.3 1 233 21 21 PHE CZ C 131.573 0.3 1 234 21 21 PHE N N 119.410 0.3 1 235 22 22 LYS H H 8.739 0.020 1 236 22 22 LYS HA H 5.195 0.020 1 237 22 22 LYS HB2 H 1.672 0.020 1 238 22 22 LYS HB3 H 1.672 0.020 1 239 22 22 LYS HG2 H 1.225 0.020 2 240 22 22 LYS HG3 H 1.280 0.020 2 241 22 22 LYS HD2 H 1.547 0.020 1 242 22 22 LYS HD3 H 1.547 0.020 1 243 22 22 LYS HE2 H 2.869 0.020 1 244 22 22 LYS HE3 H 2.869 0.020 1 245 22 22 LYS C C 175.756 0.3 1 246 22 22 LYS CA C 55.425 0.3 1 247 22 22 LYS CB C 35.942 0.3 1 248 22 22 LYS CG C 24.739 0.3 1 249 22 22 LYS CD C 29.214 0.3 1 250 22 22 LYS CE C 42.160 0.3 1 251 22 22 LYS N N 120.108 0.3 1 252 23 23 GLY H H 8.404 0.020 1 253 23 23 GLY HA2 H 3.839 0.020 2 254 23 23 GLY HA3 H 4.370 0.020 2 255 23 23 GLY C C 175.960 0.3 1 256 23 23 GLY CA C 46.286 0.3 1 257 23 23 GLY N N 111.608 0.3 1 258 24 24 VAL H H 8.550 0.020 1 259 24 24 VAL HA H 4.173 0.020 1 260 24 24 VAL HB H 2.020 0.020 1 261 24 24 VAL HG1 H 1.003 0.020 1 262 24 24 VAL HG2 H 0.801 0.020 1 263 24 24 VAL CA C 61.532 0.3 1 264 24 24 VAL CB C 32.421 0.3 1 265 24 24 VAL CG1 C 19.605 0.3 1 266 24 24 VAL CG2 C 22.922 0.3 1 267 24 24 VAL N N 115.144 0.3 1 268 25 25 GLY H H 7.594 0.020 1 269 25 25 GLY HA2 H 4.384 0.020 2 270 25 25 GLY HA3 H 4.137 0.020 2 271 25 25 GLY C C 173.261 0.3 1 272 25 25 GLY CA C 43.874 0.3 1 273 25 25 GLY N N 106.944 0.3 1 274 26 26 LYS H H 7.901 0.020 1 275 26 26 LYS HA H 4.317 0.020 1 276 26 26 LYS HB2 H 1.823 0.020 2 277 26 26 LYS HB3 H 1.762 0.020 2 278 26 26 LYS HG2 H 1.590 0.020 1 279 26 26 LYS HG3 H 1.590 0.020 1 280 26 26 LYS HD2 H 1.684 0.020 1 281 26 26 LYS HD3 H 1.684 0.020 1 282 26 26 LYS HE2 H 3.058 0.020 1 283 26 26 LYS HE3 H 3.058 0.020 1 284 26 26 LYS C C 177.392 0.3 1 285 26 26 LYS CA C 56.698 0.3 1 286 26 26 LYS CB C 33.916 0.3 1 287 26 26 LYS CG C 24.595 0.3 1 288 26 26 LYS CD C 28.863 0.3 1 289 26 26 LYS CE C 42.092 0.3 1 290 26 26 LYS N N 115.644 0.3 1 291 27 27 GLY H H 8.741 0.020 1 292 27 27 GLY HA2 H 3.711 0.020 2 293 27 27 GLY HA3 H 4.212 0.020 2 294 27 27 GLY C C 174.956 0.3 1 295 27 27 GLY CA C 45.591 0.3 1 296 27 27 GLY N N 107.048 0.3 1 297 28 28 LEU H H 9.581 0.020 1 298 28 28 LEU HA H 4.684 0.020 1 299 28 28 LEU HB2 H 1.959 0.020 2 300 28 28 LEU HB3 H 1.373 0.020 2 301 28 28 LEU HG H 1.459 0.020 1 302 28 28 LEU HD1 H 0.602 0.020 1 303 28 28 LEU HD2 H 0.653 0.020 1 304 28 28 LEU C C 176.042 0.3 1 305 28 28 LEU CA C 54.011 0.3 1 306 28 28 LEU CB C 43.399 0.3 1 307 28 28 LEU CG C 27.305 0.3 1 308 28 28 LEU CD1 C 25.962 0.3 1 309 28 28 LEU CD2 C 23.848 0.3 1 310 28 28 LEU N N 122.919 0.3 1 311 29 29 HIS H H 9.165 0.020 1 312 29 29 HIS HA H 5.171 0.020 1 313 29 29 HIS HB2 H 3.178 0.020 2 314 29 29 HIS HB3 H 3.384 0.020 2 315 29 29 HIS HD2 H 7.237 0.020 1 316 29 29 HIS C C 177.228 0.3 1 317 29 29 HIS CA C 54.010 0.3 1 318 29 29 HIS CB C 33.629 0.3 1 319 29 29 HIS CD2 C 125.326 0.3 1 320 29 29 HIS N N 118.306 0.3 1 321 30 30 ARG H H 9.779 0.020 1 322 30 30 ARG HA H 3.950 0.020 1 323 30 30 ARG HB2 H 2.062 0.020 1 324 30 30 ARG HB3 H 2.062 0.020 1 325 30 30 ARG HG2 H 1.734 0.020 2 326 30 30 ARG HG3 H 1.668 0.020 2 327 30 30 ARG HD2 H 3.357 0.020 1 328 30 30 ARG HD3 H 3.357 0.020 1 329 30 30 ARG C C 178.148 0.3 1 330 30 30 ARG CA C 61.042 0.3 1 331 30 30 ARG CB C 30.037 0.3 1 332 30 30 ARG CG C 27.317 0.3 1 333 30 30 ARG CD C 43.521 0.3 1 334 30 30 ARG N N 122.341 0.3 1 335 31 31 GLY H H 9.439 0.020 1 336 31 31 GLY HA2 H 4.050 0.020 2 337 31 31 GLY HA3 H 3.891 0.020 2 338 31 31 GLY CA C 47.004 0.3 1 339 31 31 GLY N N 107.380 0.3 1 340 32 32 ASP H H 7.427 0.020 1 341 32 32 ASP HA H 4.463 0.020 1 342 32 32 ASP HB2 H 2.695 0.020 2 343 32 32 ASP HB3 H 2.958 0.020 2 344 32 32 ASP C C 178.844 0.3 1 345 32 32 ASP CA C 57.240 0.3 1 346 32 32 ASP CB C 42.098 0.3 1 347 32 32 ASP N N 121.238 0.3 1 348 33 33 ILE H H 7.317 0.020 1 349 33 33 ILE HA H 3.666 0.020 1 350 33 33 ILE HB H 2.124 0.020 1 351 33 33 ILE HG12 H 0.363 0.020 2 352 33 33 ILE HG13 H 1.158 0.020 2 353 33 33 ILE HG2 H 0.648 0.020 1 354 33 33 ILE HD1 H -0.003 0.020 1 355 33 33 ILE C C 178.680 0.3 1 356 33 33 ILE CA C 61.478 0.3 1 357 33 33 ILE CB C 35.090 0.3 1 358 33 33 ILE CG1 C 26.426 0.3 1 359 33 33 ILE CG2 C 18.991 0.3 1 360 33 33 ILE CD1 C 7.996 0.3 1 361 33 33 ILE N N 118.632 0.3 1 362 34 34 LYS H H 8.568 0.020 1 363 34 34 LYS HA H 3.677 0.020 1 364 34 34 LYS HB2 H 1.865 0.020 1 365 34 34 LYS HB3 H 1.865 0.020 1 366 34 34 LYS HG2 H 1.170 0.020 2 367 34 34 LYS HG3 H 1.433 0.020 2 368 34 34 LYS HD2 H 1.649 0.020 1 369 34 34 LYS HD3 H 1.649 0.020 1 370 34 34 LYS HE2 H 2.887 0.020 1 371 34 34 LYS HE3 H 2.887 0.020 1 372 34 34 LYS C C 178.660 0.3 1 373 34 34 LYS CA C 61.271 0.3 1 374 34 34 LYS CB C 32.164 0.3 1 375 34 34 LYS CG C 25.346 0.3 1 376 34 34 LYS CD C 29.140 0.3 1 377 34 34 LYS CE C 41.867 0.3 1 378 34 34 LYS N N 120.005 0.3 1 379 35 35 GLU H H 7.878 0.020 1 380 35 35 GLU HA H 4.021 0.020 1 381 35 35 GLU HB2 H 1.970 0.020 2 382 35 35 GLU HB3 H 2.123 0.020 2 383 35 35 GLU HG2 H 2.340 0.020 1 384 35 35 GLU HG3 H 2.340 0.020 1 385 35 35 GLU C C 179.048 0.3 1 386 35 35 GLU CA C 59.815 0.3 1 387 35 35 GLU CB C 29.252 0.3 1 388 35 35 GLU CG C 35.904 0.3 1 389 35 35 GLU N N 119.464 0.3 1 390 36 36 ILE H H 7.582 0.020 1 391 36 36 ILE HA H 3.635 0.020 1 392 36 36 ILE HB H 1.693 0.020 1 393 36 36 ILE HG12 H 0.935 0.020 2 394 36 36 ILE HG13 H 1.798 0.020 2 395 36 36 ILE HG2 H 0.251 0.020 1 396 36 36 ILE HD1 H 0.725 0.020 1 397 36 36 ILE C C 178.925 0.3 1 398 36 36 ILE CA C 64.843 0.3 1 399 36 36 ILE CB C 38.783 0.3 1 400 36 36 ILE CG1 C 28.905 0.3 1 401 36 36 ILE CG2 C 15.557 0.3 1 402 36 36 ILE CD1 C 14.169 0.3 1 403 36 36 ILE N N 118.889 0.3 1 404 37 37 PHE H H 8.142 0.020 1 405 37 37 PHE HA H 4.292 0.020 1 406 37 37 PHE HB2 H 3.401 0.020 2 407 37 37 PHE HB3 H 2.628 0.020 2 408 37 37 PHE HD1 H 6.655 0.020 3 409 37 37 PHE HD2 H 7.060 0.020 3 410 37 37 PHE HE1 H 7.729 0.020 3 411 37 37 PHE HE2 H 7.884 0.020 3 412 37 37 PHE HZ H 6.607 0.020 1 413 37 37 PHE C C 179.805 0.3 1 414 37 37 PHE CA C 62.759 0.3 1 415 37 37 PHE CB C 37.509 0.3 1 416 37 37 PHE CD1 C 130.040 0.3 1 417 37 37 PHE CD2 C 131.141 0.3 1 418 37 37 PHE CE1 C 130.926 0.3 1 419 37 37 PHE CE2 C 136.751 0.3 1 420 37 37 PHE CZ C 128.625 0.3 1 421 37 37 PHE N N 114.774 0.3 1 422 38 38 SER H H 8.785 0.020 1 423 38 38 SER HA H 5.204 0.020 1 424 38 38 SER HB2 H 4.165 0.020 2 425 38 38 SER HB3 H 4.050 0.020 2 426 38 38 SER CA C 61.083 0.3 1 427 38 38 SER CB C 62.934 0.3 1 428 38 38 SER N N 119.554 0.3 1 429 39 39 GLN H H 6.943 0.020 1 430 39 39 GLN HA H 3.932 0.020 1 431 39 39 GLN HB2 H 1.396 0.020 1 432 39 39 GLN HB3 H 1.396 0.020 1 433 39 39 GLN HG2 H 2.054 0.020 2 434 39 39 GLN HG3 H 2.011 0.020 2 435 39 39 GLN HE21 H 7.433 0.020 1 436 39 39 GLN HE22 H 7.144 0.020 1 437 39 39 GLN C C 176.758 0.3 1 438 39 39 GLN CA C 57.404 0.3 1 439 39 39 GLN CB C 27.774 0.3 1 440 39 39 GLN CG C 33.410 0.3 1 441 39 39 GLN N N 118.168 0.3 1 442 39 39 GLN NE2 N 111.959 0.3 1 443 40 40 TYR H H 6.906 0.020 1 444 40 40 TYR HA H 4.548 0.020 1 445 40 40 TYR HB2 H 3.318 0.020 2 446 40 40 TYR HB3 H 2.648 0.020 2 447 40 40 TYR HD1 H 7.022 0.020 3 448 40 40 TYR HD2 H 6.521 0.020 3 449 40 40 TYR HE1 H 6.612 0.020 3 450 40 40 TYR HE2 H 7.009 0.020 3 451 40 40 TYR C C 174.283 0.3 1 452 40 40 TYR CA C 57.853 0.3 1 453 40 40 TYR CB C 39.181 0.3 1 454 40 40 TYR CD1 C 131.469 0.3 1 455 40 40 TYR CD2 C 116.849 0.3 1 456 40 40 TYR CE1 C 117.162 0.3 1 457 40 40 TYR CE2 C 130.449 0.3 1 458 40 40 TYR N N 113.668 0.3 1 459 41 41 GLY H H 7.351 0.020 1 460 41 41 GLY HA2 H 3.983 0.020 2 461 41 41 GLY HA3 H 4.423 0.020 2 462 41 41 GLY C C 171.032 0.3 1 463 41 41 GLY CA C 44.324 0.3 1 464 41 41 GLY N N 105.713 0.3 1 465 42 42 GLU H H 8.447 0.020 1 466 42 42 GLU HA H 4.372 0.020 1 467 42 42 GLU HB2 H 1.941 0.020 2 468 42 42 GLU HB3 H 2.055 0.020 2 469 42 42 GLU HG2 H 2.386 0.020 1 470 42 42 GLU HG3 H 2.386 0.020 1 471 42 42 GLU C C 176.430 0.3 1 472 42 42 GLU CA C 57.404 0.3 1 473 42 42 GLU CB C 30.032 0.3 1 474 42 42 GLU CG C 36.439 0.3 1 475 42 42 GLU N N 117.361 0.3 1 476 43 43 VAL H H 9.031 0.020 1 477 43 43 VAL HA H 3.772 0.020 1 478 43 43 VAL HB H 1.813 0.020 1 479 43 43 VAL HG1 H 0.667 0.020 1 480 43 43 VAL HG2 H 0.581 0.020 1 481 43 43 VAL C C 176.026 0.3 1 482 43 43 VAL CA C 62.370 0.3 1 483 43 43 VAL CB C 32.844 0.3 1 484 43 43 VAL CG1 C 22.191 0.3 1 485 43 43 VAL CG2 C 22.729 0.3 1 486 43 43 VAL N N 128.429 0.3 1 487 44 44 GLN H H 9.236 0.020 1 488 44 44 GLN HA H 4.456 0.020 1 489 44 44 GLN HB2 H 1.662 0.020 2 490 44 44 GLN HB3 H 1.930 0.020 2 491 44 44 GLN HG2 H 2.265 0.020 1 492 44 44 GLN HG3 H 2.265 0.020 1 493 44 44 GLN HE21 H 7.419 0.020 1 494 44 44 GLN HE22 H 7.146 0.020 1 495 44 44 GLN C C 176.042 0.3 1 496 44 44 GLN CA C 56.178 0.3 1 497 44 44 GLN CB C 30.731 0.3 1 498 44 44 GLN CG C 33.457 0.3 1 499 44 44 GLN N N 126.258 0.3 1 500 44 44 GLN NE2 N 112.908 0.3 1 501 45 45 PHE H H 7.608 0.020 1 502 45 45 PHE HA H 4.548 0.020 1 503 45 45 PHE HB2 H 2.487 0.020 2 504 45 45 PHE HB3 H 3.172 0.020 2 505 45 45 PHE HD1 H 6.990 0.020 3 506 45 45 PHE HD2 H 7.146 0.020 3 507 45 45 PHE HE1 H 6.873 0.020 3 508 45 45 PHE HE2 H 7.420 0.020 3 509 45 45 PHE C C 172.463 0.3 1 510 45 45 PHE CA C 58.262 0.3 1 511 45 45 PHE CB C 42.843 0.3 1 512 45 45 PHE CD1 C 118.985 0.3 1 513 45 45 PHE CD2 C 118.267 0.3 1 514 45 45 PHE CE1 C 121.210 0.3 1 515 45 45 PHE CE2 C 119.362 0.3 1 516 45 45 PHE N N 117.641 0.3 1 517 46 46 VAL H H 7.696 0.020 1 518 46 46 VAL HA H 4.201 0.020 1 519 46 46 VAL HB H 1.741 0.020 1 520 46 46 VAL HG1 H 0.897 0.020 1 521 46 46 VAL HG2 H 0.738 0.020 1 522 46 46 VAL C C 173.220 0.3 1 523 46 46 VAL CA C 61.328 0.3 1 524 46 46 VAL CB C 33.633 0.3 1 525 46 46 VAL CG1 C 22.026 0.3 1 526 46 46 VAL CG2 C 21.681 0.3 1 527 46 46 VAL N N 126.735 0.3 1 528 47 47 GLY H H 9.031 0.020 1 529 47 47 GLY HA2 H 3.317 0.020 2 530 47 47 GLY HA3 H 4.267 0.020 2 531 47 47 GLY CA C 46.000 0.3 1 532 47 47 GLY N N 118.369 0.3 1 533 48 48 TYR H H 7.619 0.020 1 534 48 48 TYR HA H 4.825 0.020 1 535 48 48 TYR HB2 H 3.198 0.020 1 536 48 48 TYR HB3 H 3.198 0.020 1 537 48 48 TYR HD1 H 6.660 0.020 3 538 48 48 TYR HD2 H 6.498 0.020 3 539 48 48 TYR HE1 H 6.739 0.020 3 540 48 48 TYR HE2 H 6.742 0.020 3 541 48 48 TYR C C 172.656 0.3 1 542 48 48 TYR CA C 59.284 0.3 1 543 48 48 TYR CB C 41.855 0.3 1 544 48 48 TYR CD1 C 130.765 0.3 1 545 48 48 TYR CD2 C 117.445 0.3 1 546 48 48 TYR CE1 C 131.944 0.3 1 547 48 48 TYR CE2 C 116.986 0.3 1 548 48 48 TYR N N 121.429 0.3 1 549 49 49 ASN H H 7.569 0.020 1 550 49 49 ASN HA H 4.845 0.020 1 551 49 49 ASN HB2 H 2.286 0.020 2 552 49 49 ASN HB3 H 2.598 0.020 2 553 49 49 ASN HD21 H 6.764 0.020 1 554 49 49 ASN HD22 H 7.241 0.020 1 555 49 49 ASN C C 172.302 0.3 1 556 49 49 ASN CA C 51.150 0.3 1 557 49 49 ASN CB C 40.096 0.3 1 558 49 49 ASN N N 126.467 0.3 1 559 49 49 ASN ND2 N 113.421 0.3 1 560 50 50 SER H H 8.162 0.020 1 561 50 50 SER HA H 4.414 0.020 1 562 50 50 SER HB2 H 3.717 0.020 2 563 50 50 SER HB3 H 3.972 0.020 2 564 50 50 SER CA C 60.486 0.3 1 565 50 50 SER CB C 63.146 0.3 1 566 50 50 SER N N 114.395 0.3 1 567 51 51 ASP H H 7.803 0.020 1 568 51 51 ASP HA H 5.078 0.020 1 569 51 51 ASP HB2 H 3.022 0.020 2 570 51 51 ASP HB3 H 2.836 0.020 2 571 51 51 ASP C C 176.226 0.3 1 572 51 51 ASP CA C 56.983 0.3 1 573 51 51 ASP CB C 40.195 0.3 1 574 51 51 ASP N N 116.177 0.3 1 575 52 52 GLU H H 7.715 0.020 1 576 52 52 GLU HA H 4.388 0.020 1 577 52 52 GLU HB2 H 2.046 0.020 1 578 52 52 GLU HB3 H 2.046 0.020 1 579 52 52 GLU HG2 H 2.368 0.020 2 580 52 52 GLU HG3 H 2.161 0.020 2 581 52 52 GLU C C 178.005 0.3 1 582 52 52 GLU CA C 57.246 0.3 1 583 52 52 GLU CB C 29.675 0.3 1 584 52 52 GLU CG C 36.285 0.3 1 585 52 52 GLU N N 119.663 0.3 1 586 53 53 GLU H H 8.925 0.020 1 587 53 53 GLU HA H 4.639 0.020 1 588 53 53 GLU HB2 H 2.103 0.020 2 589 53 53 GLU HB3 H 2.139 0.020 2 590 53 53 GLU HG2 H 2.512 0.020 2 591 53 53 GLU HG3 H 2.427 0.020 2 592 53 53 GLU CA C 58.099 0.3 1 593 53 53 GLU CB C 31.013 0.3 1 594 53 53 GLU CG C 36.567 0.3 1 595 53 53 GLU N N 118.157 0.3 1 596 54 54 ASN H H 7.689 0.020 1 597 54 54 ASN HA H 5.674 0.020 1 598 54 54 ASN HB2 H 2.951 0.020 2 599 54 54 ASN HB3 H 2.878 0.020 2 600 54 54 ASN HD21 H 7.253 0.020 1 601 54 54 ASN HD22 H 6.779 0.020 1 602 54 54 ASN C C 173.261 0.3 1 603 54 54 ASN CA C 50.802 0.3 1 604 54 54 ASN CB C 41.646 0.3 1 605 54 54 ASN N N 115.455 0.3 1 606 54 54 ASN ND2 N 112.831 0.3 1 607 55 55 GLY H H 7.424 0.020 1 608 55 55 GLY HA2 H 3.833 0.020 2 609 55 55 GLY HA3 H 4.066 0.020 2 610 55 55 GLY C C 170.909 0.3 1 611 55 55 GLY CA C 46.000 0.3 1 612 55 55 GLY N N 105.947 0.3 1 613 56 56 SER H H 8.906 0.020 1 614 56 56 SER HA H 5.312 0.020 1 615 56 56 SER HB2 H 3.800 0.020 2 616 56 56 SER HB3 H 3.637 0.020 2 617 56 56 SER C C 172.995 0.3 1 618 56 56 SER CA C 56.627 0.3 1 619 56 56 SER CB C 66.854 0.3 1 620 56 56 SER N N 113.732 0.3 1 621 57 57 VAL H H 9.084 0.020 1 622 57 57 VAL HA H 4.519 0.020 1 623 57 57 VAL HB H 1.576 0.020 1 624 57 57 VAL HG1 H 0.164 0.020 1 625 57 57 VAL HG2 H 0.336 0.020 1 626 57 57 VAL C C 172.954 0.3 1 627 57 57 VAL CA C 60.919 0.3 1 628 57 57 VAL CB C 35.590 0.3 1 629 57 57 VAL CG1 C 20.329 0.3 1 630 57 57 VAL CG2 C 21.834 0.3 1 631 57 57 VAL N N 118.550 0.3 1 632 58 58 ARG H H 8.637 0.020 1 633 58 58 ARG HA H 5.568 0.020 1 634 58 58 ARG HB2 H 1.863 0.020 2 635 58 58 ARG HB3 H 1.497 0.020 2 636 58 58 ARG HG2 H 1.563 0.020 1 637 58 58 ARG HG3 H 1.563 0.020 1 638 58 58 ARG HD2 H 2.595 0.020 2 639 58 58 ARG HD3 H 2.994 0.020 2 640 58 58 ARG C C 176.328 0.3 1 641 58 58 ARG CA C 54.011 0.3 1 642 58 58 ARG CB C 33.548 0.3 1 643 58 58 ARG CG C 28.034 0.3 1 644 58 58 ARG CD C 43.719 0.3 1 645 58 58 ARG N N 124.256 0.3 1 646 59 59 TYR H H 9.366 0.020 1 647 59 59 TYR HA H 4.923 0.020 1 648 59 59 TYR HB2 H 3.554 0.020 2 649 59 59 TYR HB3 H 2.813 0.020 2 650 59 59 TYR HD1 H 6.620 0.020 3 651 59 59 TYR HD2 H 7.162 0.020 3 652 59 59 TYR HE1 H 6.675 0.020 3 653 59 59 TYR HE2 H 7.174 0.020 3 654 59 59 TYR C C 175.019 0.3 1 655 59 59 TYR CA C 59.488 0.3 1 656 59 59 TYR CB C 42.139 0.3 1 657 59 59 TYR CD1 C 116.558 0.3 1 658 59 59 TYR CD2 C 123.531 0.3 1 659 59 59 TYR CE1 C 127.688 0.3 1 660 59 59 TYR CE2 C 128.752 0.3 1 661 59 59 TYR N N 127.807 0.3 1 662 60 60 LYS H H 8.287 0.020 1 663 60 60 LYS HA H 4.294 0.020 1 664 60 60 LYS HB2 H 1.866 0.020 2 665 60 60 LYS HB3 H 2.176 0.020 2 666 60 60 LYS HG2 H 1.496 0.020 1 667 60 60 LYS HG3 H 1.496 0.020 1 668 60 60 LYS HD2 H 1.718 0.020 1 669 60 60 LYS HD3 H 1.718 0.020 1 670 60 60 LYS HE2 H 2.958 0.020 1 671 60 60 LYS HE3 H 2.958 0.020 1 672 60 60 LYS C C 176.819 0.3 1 673 60 60 LYS CA C 59.202 0.3 1 674 60 60 LYS CB C 33.689 0.3 1 675 60 60 LYS CG C 25.764 0.3 1 676 60 60 LYS CD C 29.406 0.3 1 677 60 60 LYS CE C 42.135 0.3 1 678 60 60 LYS N N 117.003 0.3 1 679 61 61 THR H H 7.856 0.020 1 680 61 61 THR HA H 4.827 0.020 1 681 61 61 THR HB H 4.631 0.020 1 682 61 61 THR HG2 H 1.291 0.020 1 683 61 61 THR C C 174.369 0.3 1 684 61 61 THR CA C 58.594 0.3 1 685 61 61 THR CB C 71.874 0.3 1 686 61 61 THR CG2 C 21.429 0.3 1 687 61 61 THR N N 104.415 0.3 1 688 62 62 ALA H H 9.032 0.020 1 689 62 62 ALA HA H 4.114 0.020 1 690 62 62 ALA HB H 1.502 0.020 1 691 62 62 ALA C C 180.930 0.3 1 692 62 62 ALA CA C 54.502 0.3 1 693 62 62 ALA CB C 18.125 0.3 1 694 62 62 ALA N N 126.606 0.3 1 695 63 63 GLU H H 8.874 0.020 1 696 63 63 GLU HA H 4.009 0.020 1 697 63 63 GLU HB2 H 2.117 0.020 2 698 63 63 GLU HB3 H 1.968 0.020 2 699 63 63 GLU HG2 H 2.357 0.020 1 700 63 63 GLU HG3 H 2.357 0.020 1 701 63 63 GLU C C 179.247 0.3 1 702 63 63 GLU CA C 59.933 0.3 1 703 63 63 GLU CB C 28.814 0.3 1 704 63 63 GLU CG C 36.588 0.3 1 705 63 63 GLU N N 119.319 0.3 1 706 64 64 SER H H 7.644 0.020 1 707 64 64 SER HA H 3.995 0.020 1 708 64 64 SER HB2 H 3.266 0.020 2 709 64 64 SER HB3 H 3.734 0.020 2 710 64 64 SER CA C 62.105 0.3 1 711 64 64 SER CB C 62.911 0.3 1 712 64 64 SER N N 116.286 0.3 1 713 65 65 CYS H H 6.796 0.020 1 714 65 65 CYS HA H 3.462 0.020 1 715 65 65 CYS HB2 H 2.830 0.020 2 716 65 65 CYS HB3 H 3.279 0.020 2 717 65 65 CYS C C 175.531 0.3 1 718 65 65 CYS CA C 61.001 0.3 1 719 65 65 CYS CB C 26.999 0.3 1 720 65 65 CYS N N 120.306 0.3 1 721 66 66 LYS H H 7.788 0.020 1 722 66 66 LYS HA H 3.925 0.020 1 723 66 66 LYS HB2 H 1.822 0.020 1 724 66 66 LYS HB3 H 1.822 0.020 1 725 66 66 LYS HG2 H 1.484 0.020 2 726 66 66 LYS HG3 H 1.368 0.020 2 727 66 66 LYS HD2 H 1.681 0.020 1 728 66 66 LYS HD3 H 1.681 0.020 1 729 66 66 LYS HE2 H 2.865 0.020 1 730 66 66 LYS HE3 H 2.865 0.020 1 731 66 66 LYS C C 178.312 0.3 1 732 66 66 LYS CA C 59.161 0.3 1 733 66 66 LYS CB C 32.280 0.3 1 734 66 66 LYS CG C 24.670 0.3 1 735 66 66 LYS CD C 29.137 0.3 1 736 66 66 LYS CE C 42.021 0.3 1 737 66 66 LYS N N 117.567 0.3 1 738 67 67 ARG H H 7.723 0.020 1 739 67 67 ARG HA H 3.913 0.020 1 740 67 67 ARG HB2 H 2.031 0.020 1 741 67 67 ARG HB3 H 2.031 0.020 1 742 67 67 ARG HG2 H 1.614 0.020 1 743 67 67 ARG HG3 H 1.614 0.020 1 744 67 67 ARG C C 178.619 0.3 1 745 67 67 ARG CA C 58.957 0.3 1 746 67 67 ARG CB C 29.994 0.3 1 747 67 67 ARG CG C 24.893 0.3 1 748 67 67 ARG CD C 41.968 0.3 1 749 67 67 ARG N N 118.049 0.3 1 750 68 68 ALA H H 7.947 0.020 1 751 68 68 ALA HA H 2.532 0.020 1 752 68 68 ALA HB H 1.287 0.020 1 753 68 68 ALA C C 178.496 0.3 1 754 68 68 ALA CA C 54.976 0.3 1 755 68 68 ALA CB C 18.652 0.3 1 756 68 68 ALA N N 122.964 0.3 1 757 69 69 ILE H H 7.866 0.020 1 758 69 69 ILE HA H 3.161 0.020 1 759 69 69 ILE HB H 1.751 0.020 1 760 69 69 ILE HG12 H 1.679 0.020 2 761 69 69 ILE HG13 H 0.887 0.020 2 762 69 69 ILE HG2 H 0.989 0.020 1 763 69 69 ILE HD1 H 0.845 0.020 1 764 69 69 ILE C C 178.987 0.3 1 765 69 69 ILE CA C 66.118 0.3 1 766 69 69 ILE CB C 37.749 0.3 1 767 69 69 ILE CG1 C 29.973 0.3 1 768 69 69 ILE CG2 C 16.667 0.3 1 769 69 69 ILE CD1 C 13.767 0.3 1 770 69 69 ILE N N 115.889 0.3 1 771 70 70 GLU H H 8.086 0.020 1 772 70 70 GLU HA H 3.929 0.020 1 773 70 70 GLU HB2 H 2.197 0.020 2 774 70 70 GLU HB3 H 2.092 0.020 2 775 70 70 GLU HG2 H 2.452 0.020 1 776 70 70 GLU HG3 H 2.452 0.020 1 777 70 70 GLU C C 178.728 0.3 1 778 70 70 GLU CA C 59.775 0.3 1 779 70 70 GLU CB C 29.519 0.3 1 780 70 70 GLU CG C 36.322 0.3 1 781 70 70 GLU N N 121.168 0.3 1 782 71 71 SER H H 8.159 0.020 1 783 71 71 SER HA H 4.313 0.020 1 784 71 71 SER HB2 H 3.717 0.020 1 785 71 71 SER HB3 H 3.717 0.020 1 786 71 71 SER CA C 61.747 0.3 1 787 71 71 SER CB C 63.418 0.3 1 788 71 71 SER N N 114.537 0.3 1 789 72 72 LEU H H 8.698 0.020 1 790 72 72 LEU HA H 3.737 0.020 1 791 72 72 LEU HB2 H 1.129 0.020 1 792 72 72 LEU HB3 H 1.129 0.020 1 793 72 72 LEU HG H 0.152 0.020 1 794 72 72 LEU HD1 H 0.550 0.020 1 795 72 72 LEU HD2 H 0.550 0.020 1 796 72 72 LEU C C 180.234 0.3 1 797 72 72 LEU CA C 58.221 0.3 1 798 72 72 LEU CB C 40.196 0.3 1 799 72 72 LEU CG C 26.513 0.3 1 800 72 72 LEU CD1 C 23.238 0.3 1 801 72 72 LEU CD2 C 23.042 0.3 1 802 72 72 LEU N N 122.872 0.3 1 803 73 73 THR H H 7.635 0.020 1 804 73 73 THR HA H 4.267 0.020 1 805 73 73 THR HB H 4.313 0.020 1 806 73 73 THR HG2 H 1.385 0.020 1 807 73 73 THR CA C 66.110 0.3 1 808 73 73 THR CB C 68.897 0.3 1 809 73 73 THR CG2 C 21.180 0.3 1 810 73 73 THR N N 113.138 0.3 1 811 74 74 GLU H H 8.158 0.020 1 812 74 74 GLU HA H 4.132 0.020 1 813 74 74 GLU HB2 H 2.093 0.020 2 814 74 74 GLU HB3 H 2.236 0.020 2 815 74 74 GLU HG2 H 2.357 0.020 2 816 74 74 GLU HG3 H 2.188 0.020 2 817 74 74 GLU C C 178.537 0.3 1 818 74 74 GLU CA C 59.570 0.3 1 819 74 74 GLU CB C 29.675 0.3 1 820 74 74 GLU CG C 36.310 0.3 1 821 74 74 GLU N N 122.845 0.3 1 822 75 75 THR H H 7.947 0.020 1 823 75 75 THR HA H 4.222 0.020 1 824 75 75 THR HB H 4.327 0.020 1 825 75 75 THR HG2 H 1.384 0.020 1 826 75 75 THR C C 174.876 0.3 1 827 75 75 THR CA C 62.513 0.3 1 828 75 75 THR CB C 70.676 0.3 1 829 75 75 THR CG2 C 21.049 0.3 1 830 75 75 THR N N 105.975 0.3 1 831 76 76 LYS H H 7.606 0.020 1 832 76 76 LYS HA H 3.936 0.020 1 833 76 76 LYS HB2 H 1.901 0.020 2 834 76 76 LYS HB3 H 1.638 0.020 2 835 76 76 LYS HG2 H 1.451 0.020 1 836 76 76 LYS HG3 H 1.451 0.020 1 837 76 76 LYS HE2 H 2.926 0.020 2 838 76 76 LYS HE3 H 3.066 0.020 2 839 76 76 LYS C C 174.835 0.3 1 840 76 76 LYS CA C 56.791 0.3 1 841 76 76 LYS CB C 29.347 0.3 1 842 76 76 LYS CG C 24.619 0.3 1 843 76 76 LYS CE C 42.241 0.3 1 844 76 76 LYS N N 118.373 0.3 1 845 77 77 LYS H H 6.917 0.020 1 846 77 77 LYS HA H 3.937 0.020 1 847 77 77 LYS HB2 H 1.662 0.020 1 848 77 77 LYS HB3 H 1.662 0.020 1 849 77 77 LYS HG2 H 1.319 0.020 2 850 77 77 LYS HG3 H 1.244 0.020 2 851 77 77 LYS HD2 H 1.503 0.020 2 852 77 77 LYS HD3 H 1.624 0.020 2 853 77 77 LYS HE2 H 2.824 0.020 2 854 77 77 LYS HE3 H 2.923 0.020 2 855 77 77 LYS C C 176.676 0.3 1 856 77 77 LYS CA C 57.077 0.3 1 857 77 77 LYS CB C 33.055 0.3 1 858 77 77 LYS CG C 23.830 0.3 1 859 77 77 LYS CD C 28.884 0.3 1 860 77 77 LYS CE C 41.944 0.3 1 861 77 77 LYS N N 117.125 0.3 1 862 78 78 GLU H H 8.426 0.020 1 863 78 78 GLU HA H 4.340 0.020 1 864 78 78 GLU HB2 H 1.491 0.020 1 865 78 78 GLU HB3 H 1.491 0.020 1 866 78 78 GLU HG2 H 1.921 0.020 2 867 78 78 GLU HG3 H 2.328 0.020 2 868 78 78 GLU C C 176.737 0.3 1 869 78 78 GLU CA C 55.401 0.3 1 870 78 78 GLU CB C 31.154 0.3 1 871 78 78 GLU CG C 36.364 0.3 1 872 78 78 GLU N N 124.743 0.3 1 873 79 79 ILE H H 8.944 0.020 1 874 79 79 ILE HA H 4.168 0.020 1 875 79 79 ILE HB H 1.608 0.020 1 876 79 79 ILE HG12 H 0.770 0.020 2 877 79 79 ILE HG13 H 1.486 0.020 2 878 79 79 ILE HG2 H 0.506 0.020 1 879 79 79 ILE HD1 H 0.604 0.020 1 880 79 79 ILE C C 176.778 0.3 1 881 79 79 ILE CA C 61.655 0.3 1 882 79 79 ILE CB C 38.908 0.3 1 883 79 79 ILE CG1 C 26.098 0.3 1 884 79 79 ILE CG2 C 17.346 0.3 1 885 79 79 ILE CD1 C 12.780 0.3 1 886 79 79 ILE N N 121.499 0.3 1 887 80 80 GLY H H 9.362 0.020 1 888 80 80 GLY HA2 H 3.529 0.020 2 889 80 80 GLY HA3 H 3.834 0.020 2 890 80 80 GLY C C 175.960 0.3 1 891 80 80 GLY CA C 46.776 0.3 1 892 80 80 GLY N N 118.402 0.3 1 893 81 81 GLY H H 8.575 0.020 1 894 81 81 GLY HA2 H 4.141 0.020 2 895 81 81 GLY HA3 H 3.704 0.020 2 896 81 81 GLY C C 173.117 0.3 1 897 81 81 GLY CA C 45.168 0.3 1 898 81 81 GLY N N 104.499 0.3 1 899 82 82 GLN H H 6.978 0.020 1 900 82 82 GLN HA H 4.718 0.020 1 901 82 82 GLN HB2 H 1.811 0.020 2 902 82 82 GLN HB3 H 2.208 0.020 2 903 82 82 GLN HG2 H 2.227 0.020 1 904 82 82 GLN HG3 H 2.227 0.020 1 905 82 82 GLN HE21 H 7.151 0.020 1 906 82 82 GLN HE22 H 6.911 0.020 1 907 82 82 GLN C C 173.813 0.3 1 908 82 82 GLN CA C 53.112 0.3 1 909 82 82 GLN CB C 32.632 0.3 1 910 82 82 GLN CG C 33.457 0.3 1 911 82 82 GLN N N 115.488 0.3 1 912 82 82 GLN NE2 N 111.672 0.3 1 913 83 83 ILE H H 8.884 0.020 1 914 83 83 ILE HA H 4.603 0.020 1 915 83 83 ILE HB H 1.821 0.020 1 916 83 83 ILE HG12 H 1.588 0.020 2 917 83 83 ILE HG13 H 0.920 0.020 2 918 83 83 ILE HG2 H 0.924 0.020 1 919 83 83 ILE HD1 H 0.914 0.020 1 920 83 83 ILE C C 174.263 0.3 1 921 83 83 ILE CA C 58.998 0.3 1 922 83 83 ILE CB C 37.969 0.3 1 923 83 83 ILE CG1 C 27.772 0.3 1 924 83 83 ILE CG2 C 17.363 0.3 1 925 83 83 ILE CD1 C 13.688 0.3 1 926 83 83 ILE N N 124.094 0.3 1 927 84 84 PRO HA H 4.758 0.020 1 928 84 84 PRO HB2 H 1.347 0.020 1 929 84 84 PRO HB3 H 1.347 0.020 1 930 84 84 PRO HG2 H 1.465 0.020 2 931 84 84 PRO HG3 H 1.848 0.020 2 932 84 84 PRO HD2 H 4.477 0.020 2 933 84 84 PRO HD3 H 3.726 0.020 2 934 84 84 PRO C C 174.590 0.3 1 935 84 84 PRO CA C 61.859 0.3 1 936 84 84 PRO CB C 32.844 0.3 1 937 84 84 PRO CG C 27.552 0.3 1 938 84 84 PRO CD C 51.439 0.3 1 939 85 85 THR H H 8.346 0.020 1 940 85 85 THR HA H 4.356 0.020 1 941 85 85 THR HB H 4.066 0.020 1 942 85 85 THR HG2 H 1.213 0.020 1 943 85 85 THR C C 174.058 0.3 1 944 85 85 THR CA C 60.715 0.3 1 945 85 85 THR CB C 70.939 0.3 1 946 85 85 THR CG2 C 21.414 0.3 1 947 85 85 THR N N 108.415 0.3 1 948 86 86 TYR H H 8.514 0.020 1 949 86 86 TYR HA H 5.644 0.020 1 950 86 86 TYR HB2 H 2.668 0.020 2 951 86 86 TYR HB3 H 2.987 0.020 2 952 86 86 TYR HD1 H 7.054 0.020 3 953 86 86 TYR HD2 H 6.713 0.020 3 954 86 86 TYR HE1 H 6.479 0.020 3 955 86 86 TYR HE2 H 6.983 0.020 3 956 86 86 TYR C C 175.715 0.3 1 957 86 86 TYR CA C 56.709 0.3 1 958 86 86 TYR CB C 43.124 0.3 1 959 86 86 TYR CD1 C 130.513 0.3 1 960 86 86 TYR CD2 C 131.202 0.3 1 961 86 86 TYR CE1 C 116.838 0.3 1 962 86 86 TYR CE2 C 130.959 0.3 1 963 86 86 TYR N N 120.418 0.3 1 964 87 87 ASN H H 8.952 0.020 1 965 87 87 ASN HA H 4.915 0.020 1 966 87 87 ASN HB2 H 2.620 0.020 2 967 87 87 ASN HB3 H 2.696 0.020 2 968 87 87 ASN HD21 H 7.239 0.020 1 969 87 87 ASN HD22 H 6.754 0.020 1 970 87 87 ASN C C 172.668 0.3 1 971 87 87 ASN CA C 53.398 0.3 1 972 87 87 ASN CB C 41.998 0.3 1 973 87 87 ASN N N 117.190 0.3 1 974 87 87 ASN ND2 N 112.282 0.3 1 975 88 88 LEU H H 8.833 0.020 1 976 88 88 LEU HA H 4.671 0.020 1 977 88 88 LEU HB2 H 1.493 0.020 2 978 88 88 LEU HB3 H 1.706 0.020 2 979 88 88 LEU HG H 1.663 0.020 1 980 88 88 LEU HD1 H 0.899 0.020 1 981 88 88 LEU HD2 H 0.825 0.020 1 982 88 88 LEU C C 177.576 0.3 1 983 88 88 LEU CA C 54.172 0.3 1 984 88 88 LEU CB C 42.843 0.3 1 985 88 88 LEU CG C 27.253 0.3 1 986 88 88 LEU CD1 C 25.186 0.3 1 987 88 88 LEU CD2 C 23.088 0.3 1 988 88 88 LEU N N 125.362 0.3 1 989 89 89 LEU H H 8.273 0.020 1 990 89 89 LEU HA H 4.443 0.020 1 991 89 89 LEU HB2 H 1.664 0.020 2 992 89 89 LEU HB3 H 1.507 0.020 2 993 89 89 LEU HG H 1.669 0.020 1 994 89 89 LEU HD1 H 0.880 0.020 1 995 89 89 LEU HD2 H 0.820 0.020 1 996 89 89 LEU C C 175.756 0.3 1 997 89 89 LEU CA C 55.605 0.3 1 998 89 89 LEU CB C 42.697 0.3 1 999 89 89 LEU CG C 26.783 0.3 1 1000 89 89 LEU CD1 C 25.172 0.3 1 1001 89 89 LEU CD2 C 23.060 0.3 1 1002 89 89 LEU N N 125.921 0.3 1 1003 90 90 GLU H H 8.573 0.020 1 1004 90 90 GLU HA H 4.762 0.020 1 1005 90 90 GLU HB2 H 2.046 0.020 2 1006 90 90 GLU HB3 H 2.110 0.020 2 1007 90 90 GLU HG2 H 2.158 0.020 1 1008 90 90 GLU HG3 H 2.158 0.020 1 1009 90 90 GLU C C 176.884 0.3 1 1010 90 90 GLU CA C 54.788 0.3 1 1011 90 90 GLU CB C 33.618 0.3 1 1012 90 90 GLU CG C 35.896 0.3 1 1013 90 90 GLU N N 120.482 0.3 1 1014 91 91 GLY H H 8.770 0.020 1 1015 91 91 GLY HA2 H 3.947 0.020 2 1016 91 91 GLY HA3 H 4.050 0.020 2 1017 91 91 GLY C C 176.287 0.3 1 1018 91 91 GLY CA C 46.531 0.3 1 1019 91 91 GLY N N 108.229 0.3 1 1020 92 92 GLU H H 9.102 0.020 1 1021 92 92 GLU HA H 3.877 0.020 1 1022 92 92 GLU HB2 H 2.099 0.020 1 1023 92 92 GLU HB3 H 2.099 0.020 1 1024 92 92 GLU HG2 H 2.377 0.020 1 1025 92 92 GLU HG3 H 2.377 0.020 1 1026 92 92 GLU CA C 59.039 0.3 1 1027 92 92 GLU CB C 29.534 0.3 1 1028 92 92 GLU CG C 37.125 0.3 1 1029 92 92 GLU N N 125.939 0.3 1 1030 93 93 GLU H H 8.640 0.020 1 1031 93 93 GLU HA H 3.920 0.020 1 1032 93 93 GLU HB2 H 2.234 0.020 2 1033 93 93 GLU HB3 H 1.966 0.020 2 1034 93 93 GLU HG2 H 2.444 0.020 2 1035 93 93 GLU HG3 H 2.369 0.020 2 1036 93 93 GLU C C 179.150 0.3 1 1037 93 93 GLU CA C 59.815 0.3 1 1038 93 93 GLU CB C 29.292 0.3 1 1039 93 93 GLU CG C 36.575 0.3 1 1040 93 93 GLU N N 118.908 0.3 1 1041 94 94 GLU H H 7.273 0.020 1 1042 94 94 GLU HA H 4.023 0.020 1 1043 94 94 GLU HB2 H 2.229 0.020 1 1044 94 94 GLU HB3 H 2.229 0.020 1 1045 94 94 GLU HG2 H 2.350 0.020 1 1046 94 94 GLU HG3 H 2.350 0.020 1 1047 94 94 GLU CA C 59.284 0.3 1 1048 94 94 GLU CB C 29.605 0.3 1 1049 94 94 GLU CG C 35.820 0.3 1 1050 94 94 GLU N N 120.762 0.3 1 1051 95 95 LYS H H 7.789 0.020 1 1052 95 95 LYS HA H 4.032 0.020 1 1053 95 95 LYS HB2 H 1.977 0.020 2 1054 95 95 LYS HB3 H 1.912 0.020 2 1055 95 95 LYS HG2 H 1.578 0.020 2 1056 95 95 LYS HG3 H 1.379 0.020 2 1057 95 95 LYS HD2 H 1.669 0.020 1 1058 95 95 LYS HD3 H 1.669 0.020 1 1059 95 95 LYS HE2 H 2.939 0.020 2 1060 95 95 LYS HE3 H 2.838 0.020 2 1061 95 95 LYS C C 179.130 0.3 1 1062 95 95 LYS CA C 60.020 0.3 1 1063 95 95 LYS CB C 32.351 0.3 1 1064 95 95 LYS CG C 25.067 0.3 1 1065 95 95 LYS CD C 29.188 0.3 1 1066 95 95 LYS CE C 41.959 0.3 1 1067 95 95 LYS N N 119.605 0.3 1 1068 96 96 LYS H H 8.289 0.020 1 1069 96 96 LYS HA H 4.078 0.020 1 1070 96 96 LYS HB2 H 1.837 0.020 2 1071 96 96 LYS HB3 H 1.904 0.020 2 1072 96 96 LYS HG2 H 1.365 0.020 2 1073 96 96 LYS HG3 H 1.485 0.020 2 1074 96 96 LYS HD2 H 1.681 0.020 1 1075 96 96 LYS HD3 H 1.681 0.020 1 1076 96 96 LYS HE2 H 2.969 0.020 1 1077 96 96 LYS HE3 H 2.969 0.020 1 1078 96 96 LYS C C 179.376 0.3 1 1079 96 96 LYS CA C 58.834 0.3 1 1080 96 96 LYS CB C 32.210 0.3 1 1081 96 96 LYS CG C 24.695 0.3 1 1082 96 96 LYS CD C 28.865 0.3 1 1083 96 96 LYS CE C 41.947 0.3 1 1084 96 96 LYS N N 118.555 0.3 1 1085 97 97 GLU H H 7.758 0.020 1 1086 97 97 GLU HA H 4.077 0.020 1 1087 97 97 GLU HB2 H 1.841 0.020 2 1088 97 97 GLU HB3 H 1.973 0.020 2 1089 97 97 GLU HG2 H 2.183 0.020 2 1090 97 97 GLU HG3 H 1.990 0.020 2 1091 97 97 GLU C C 179.277 0.3 1 1092 97 97 GLU CA C 58.664 0.3 1 1093 97 97 GLU CB C 28.689 0.3 1 1094 97 97 GLU CG C 35.001 0.3 1 1095 97 97 GLU N N 120.339 0.3 1 1096 98 98 TRP H H 8.088 0.020 1 1097 98 98 TRP HA H 4.180 0.020 1 1098 98 98 TRP HB2 H 3.246 0.020 1 1099 98 98 TRP HB3 H 3.246 0.020 1 1100 98 98 TRP HD1 H 7.240 0.020 1 1101 98 98 TRP HE1 H 10.931 0.020 1 1102 98 98 TRP HE3 H 7.728 0.020 1 1103 98 98 TRP HZ2 H 7.447 0.020 1 1104 98 98 TRP HH2 H 7.152 0.020 1 1105 98 98 TRP C C 178.107 0.3 1 1106 98 98 TRP CA C 61.205 0.3 1 1107 98 98 TRP CB C 28.556 0.3 1 1108 98 98 TRP CD1 C 125.758 0.3 1 1109 98 98 TRP CE3 C 130.065 0.3 1 1110 98 98 TRP CZ2 C 112.801 0.3 1 1111 98 98 TRP CH2 C 118.686 0.3 1 1112 98 98 TRP N N 119.245 0.3 1 1113 98 98 TRP NE1 N 130.852 0.3 1 1114 99 99 GLU H H 8.103 0.020 1 1115 99 99 GLU HA H 4.134 0.020 1 1116 99 99 GLU HB2 H 2.235 0.020 2 1117 99 99 GLU HB3 H 2.102 0.020 2 1118 99 99 GLU HG2 H 2.360 0.020 1 1119 99 99 GLU HG3 H 2.360 0.020 1 1120 99 99 GLU C C 178.787 0.3 1 1121 99 99 GLU CA C 59.488 0.3 1 1122 99 99 GLU CB C 29.280 0.3 1 1123 99 99 GLU CG C 36.033 0.3 1 1124 99 99 GLU N N 119.362 0.3 1 1125 100 100 LYS H H 7.369 0.020 1 1126 100 100 LYS HA H 4.072 0.020 1 1127 100 100 LYS HB2 H 1.912 0.020 2 1128 100 100 LYS HB3 H 1.837 0.020 2 1129 100 100 LYS HG2 H 1.561 0.020 1 1130 100 100 LYS HG3 H 1.561 0.020 1 1131 100 100 LYS HD2 H 1.672 0.020 1 1132 100 100 LYS HD3 H 1.672 0.020 1 1133 100 100 LYS HE2 H 2.867 0.020 2 1134 100 100 LYS HE3 H 2.943 0.020 2 1135 100 100 LYS C C 178.623 0.3 1 1136 100 100 LYS CA C 58.548 0.3 1 1137 100 100 LYS CB C 32.069 0.3 1 1138 100 100 LYS CG C 24.952 0.3 1 1139 100 100 LYS CD C 29.065 0.3 1 1140 100 100 LYS CE C 41.876 0.3 1 1141 100 100 LYS N N 118.217 0.3 1 1142 101 101 ILE H H 7.845 0.020 1 1143 101 101 ILE HA H 3.387 0.020 1 1144 101 101 ILE HB H 1.696 0.020 1 1145 101 101 ILE HG12 H 1.362 0.020 2 1146 101 101 ILE HG13 H 0.465 0.020 2 1147 101 101 ILE HG2 H 0.534 0.020 1 1148 101 101 ILE HD1 H -0.166 0.020 1 1149 101 101 ILE C C 178.380 0.3 1 1150 101 101 ILE CA C 64.721 0.3 1 1151 101 101 ILE CB C 37.932 0.3 1 1152 101 101 ILE CG1 C 28.618 0.3 1 1153 101 101 ILE CG2 C 16.866 0.3 1 1154 101 101 ILE CD1 C 12.586 0.3 1 1155 101 101 ILE N N 120.513 0.3 1 1156 102 102 ILE H H 8.045 0.020 1 1157 102 102 ILE HA H 3.799 0.020 1 1158 102 102 ILE HB H 1.926 0.020 1 1159 102 102 ILE HG12 H 1.618 0.020 2 1160 102 102 ILE HG13 H 1.304 0.020 2 1161 102 102 ILE HG2 H 0.905 0.020 1 1162 102 102 ILE HD1 H 0.844 0.020 1 1163 102 102 ILE C C 177.700 0.3 1 1164 102 102 ILE CA C 63.494 0.3 1 1165 102 102 ILE CB C 37.737 0.3 1 1166 102 102 ILE CG1 C 28.486 0.3 1 1167 102 102 ILE CG2 C 17.304 0.3 1 1168 102 102 ILE CD1 C 12.688 0.3 1 1169 102 102 ILE N N 119.488 0.3 1 1170 103 103 GLU H H 7.908 0.020 1 1171 103 103 GLU HA H 4.073 0.020 1 1172 103 103 GLU HB2 H 2.041 0.020 2 1173 103 103 GLU HB3 H 1.913 0.020 2 1174 103 103 GLU HG2 H 2.225 0.020 2 1175 103 103 GLU HG3 H 2.357 0.020 2 1176 103 103 GLU C C 177.842 0.3 1 1177 103 103 GLU CA C 58.303 0.3 1 1178 103 103 GLU CB C 29.745 0.3 1 1179 103 103 GLU CG C 36.324 0.3 1 1180 103 103 GLU N N 120.673 0.3 1 1181 104 104 ARG H H 7.961 0.020 1 1182 104 104 ARG HA H 4.162 0.020 1 1183 104 104 ARG HB2 H 1.930 0.020 2 1184 104 104 ARG HB3 H 1.823 0.020 2 1185 104 104 ARG HG2 H 1.705 0.020 2 1186 104 104 ARG HG3 H 1.612 0.020 2 1187 104 104 ARG HD2 H 3.141 0.020 2 1188 104 104 ARG HD3 H 3.071 0.020 2 1189 104 104 ARG C C 177.355 0.3 1 1190 104 104 ARG CA C 57.404 0.3 1 1191 104 104 ARG CB C 30.027 0.3 1 1192 104 104 ARG CG C 27.271 0.3 1 1193 104 104 ARG CD C 43.410 0.3 1 1194 104 104 ARG N N 118.846 0.3 1 1195 105 105 LYS H H 7.921 0.020 1 1196 105 105 LYS HA H 4.197 0.020 1 1197 105 105 LYS HB2 H 1.840 0.020 2 1198 105 105 LYS HB3 H 1.890 0.020 2 1199 105 105 LYS HG2 H 1.494 0.020 2 1200 105 105 LYS HG3 H 1.413 0.020 2 1201 105 105 LYS HD2 H 1.669 0.020 1 1202 105 105 LYS HD3 H 1.669 0.020 1 1203 105 105 LYS HE2 H 2.969 0.020 1 1204 105 105 LYS HE3 H 2.969 0.020 1 1205 105 105 LYS C C 177.444 0.3 1 1206 105 105 LYS CA C 57.290 0.3 1 1207 105 105 LYS CB C 32.421 0.3 1 1208 105 105 LYS CG C 24.650 0.3 1 1209 105 105 LYS CD C 29.101 0.3 1 1210 105 105 LYS CE C 41.927 0.3 1 1211 105 105 LYS N N 120.157 0.3 1 stop_ save_