data_34127 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure and 1H, 13C and 15N signal assignments for Dictyostelium discoidans MATB protein S71A mutant ; _BMRB_accession_number 34127 _BMRB_flat_file_name bmr34127.str _Entry_type original _Submission_date 2017-04-22 _Accession_date 2017-04-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Neuhaus D. . . 2 Hedgethorne K. . . 3 Yang J.-C. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 622 "13C chemical shifts" 349 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-09-13 original BMRB . stop_ _Original_release_date 2017-05-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Homeodomain-like DNA binding proteins control the haploid-to-diploid transition in Dictyostelium. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28879231 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hedgethorne Katy . . 2 Eustermann Sebastian . . 3 Yang Ji-Chun C. . 4 Ogden Tom . . 5 Neuhaus David . . 6 Bloomfield Gareth . . stop_ _Journal_abbreviation 'Sci. Adv.' _Journal_name_full 'Science advances' _Journal_volume 3 _Journal_issue 9 _Journal_ISSN 2375-2548 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1602937 _Page_last e1602937 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MatB protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 12652.264 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSHMASMDQLDEIIEQIQKE AINSNVVLKNPRVPTQKTGE LSEEQKKIVADYISEVGLNN LNATELSKRLNITVDKAKTY IKNSNRMGRTNNFKTIKMFE DDVSSASAQPNLP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 SER 3 -3 HIS 4 -2 MET 5 -1 ALA 6 0 SER 7 1 MET 8 2 ASP 9 3 GLN 10 4 LEU 11 5 ASP 12 6 GLU 13 7 ILE 14 8 ILE 15 9 GLU 16 10 GLN 17 11 ILE 18 12 GLN 19 13 LYS 20 14 GLU 21 15 ALA 22 16 ILE 23 17 ASN 24 18 SER 25 19 ASN 26 20 VAL 27 21 VAL 28 22 LEU 29 23 LYS 30 24 ASN 31 25 PRO 32 26 ARG 33 27 VAL 34 28 PRO 35 29 THR 36 30 GLN 37 31 LYS 38 32 THR 39 33 GLY 40 34 GLU 41 35 LEU 42 36 SER 43 37 GLU 44 38 GLU 45 39 GLN 46 40 LYS 47 41 LYS 48 42 ILE 49 43 VAL 50 44 ALA 51 45 ASP 52 46 TYR 53 47 ILE 54 48 SER 55 49 GLU 56 50 VAL 57 51 GLY 58 52 LEU 59 53 ASN 60 54 ASN 61 55 LEU 62 56 ASN 63 57 ALA 64 58 THR 65 59 GLU 66 60 LEU 67 61 SER 68 62 LYS 69 63 ARG 70 64 LEU 71 65 ASN 72 66 ILE 73 67 THR 74 68 VAL 75 69 ASP 76 70 LYS 77 71 ALA 78 72 LYS 79 73 THR 80 74 TYR 81 75 ILE 82 76 LYS 83 77 ASN 84 78 SER 85 79 ASN 86 80 ARG 87 81 MET 88 82 GLY 89 83 ARG 90 84 THR 91 85 ASN 92 86 ASN 93 87 PHE 94 88 LYS 95 89 THR 96 90 ILE 97 91 LYS 98 92 MET 99 93 PHE 100 94 GLU 101 95 ASP 102 96 ASP 103 97 VAL 104 98 SER 105 99 SER 106 100 ALA 107 101 SER 108 102 ALA 109 103 GLN 110 104 PRO 111 105 ASN 112 106 LEU 113 107 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Slime mold' 44689 Eukaryota . Dictyostelium discoideum matB 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_1 'recombinant technology' . . . . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 600 uM [U-15N] MATB, 25 mM sodium phosphate, 100 mM sodium chloride, 50 uM EDTA, 95% H2O/5% D2O. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 50 uM 'natural abundance' $entity_1 600 uM [U-15N] 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 600 uM [U-13C; U-15N] MATB, 25 mM sodium phosphate, 100 mM sodium chloride, 50 uM EDTA, 95% H2O/5% D2O. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 50 uM 'natural abundance' $entity_1 600 uM '[U-13C; U-15N]' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version 11 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CcpNMR _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TOPSPIN _Version '3.1 and 3.2' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name UNIO _Version 2.0.3 loop_ _Vendor _Address _Electronic_address Herrmann . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.28 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNHAHB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_[1H-13C-1H]_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-13C-1H] HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_[13C-13C-1H]_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [13C-13C-1H] HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_[1H-13C-1H]_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-13C-1H] HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_(mix._time_150ms)_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY (mix. time 150ms)' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_(mix._time_150ms)_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic (mix. time 150ms)' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_(mix._time_150ms)_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic (mix. time 150ms)' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 274 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; A small correction of -0.88 ppm was added to all 15N shifts in order to comply with the validation report. N.B. The indirect ratio given below for 15N does not reflect this additional correction. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 'methyl protons' ppm 0.0 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 TSP H 1 'methyl protons' ppm 0.0 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.0 TSP N 15 'methyl protons' ppm 0.0 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HNHAHB' '3D HBHA(CO)NH' '3D [1H-13C-1H] HCCH-TOCSY' '3D [13C-13C-1H] HCCH-TOCSY' '3D [1H-13C-1H] HCCH-COSY' '3D 1H-15N NOESY (mix. time 150ms)' '3D 1H-13C NOESY aliphatic (mix. time 150ms)' '3D 1H-13C NOESY aromatic (mix. time 150ms)' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 -5 1 GLY HA2 H 3.899 0.020 1 2 -5 1 GLY HA3 H 3.899 0.020 1 3 -4 2 SER H H 8.836 0.020 1 4 -4 2 SER HA H 4.479 0.020 1 5 -4 2 SER HB2 H 3.837 0.020 2 6 -4 2 SER CA C 58.344 0.100 1 7 -4 2 SER CB C 63.973 0.100 1 8 -4 2 SER N N 114.885 0.100 1 9 -3 3 HIS H H 8.858 0.020 1 10 -3 3 HIS HA H 4.722 0.020 1 11 -3 3 HIS HB2 H 3.268 0.020 2 12 -3 3 HIS HB3 H 3.180 0.020 2 13 -3 3 HIS HD2 H 7.252 0.020 1 14 -3 3 HIS CA C 55.696 0.100 1 15 -3 3 HIS CB C 29.234 0.100 1 16 -3 3 HIS N N 120.272 0.100 1 17 -2 4 MET H H 8.563 0.020 1 18 -2 4 MET HA H 4.470 0.020 1 19 -2 4 MET HB2 H 2.081 0.020 2 20 -2 4 MET HB3 H 1.963 0.020 2 21 -2 4 MET HG2 H 2.591 0.020 2 22 -2 4 MET HG3 H 2.516 0.020 2 23 -2 4 MET CA C 55.398 0.100 1 24 -2 4 MET CB C 33.012 0.100 1 25 -2 4 MET CG C 31.673 0.100 1 26 -2 4 MET N N 121.905 0.100 1 27 -1 5 ALA H H 8.633 0.020 1 28 -1 5 ALA HA H 4.320 0.020 1 29 -1 5 ALA HB H 1.419 0.020 1 30 -1 5 ALA CA C 52.849 0.100 1 31 -1 5 ALA CB C 19.146 0.100 1 32 -1 5 ALA N N 125.294 0.100 1 33 0 6 SER H H 8.452 0.020 1 34 0 6 SER HA H 4.409 0.020 1 35 0 6 SER HB2 H 3.869 0.020 2 36 0 6 SER HB3 H 3.945 0.020 2 37 0 6 SER CA C 58.533 0.100 1 38 0 6 SER CB C 63.673 0.100 1 39 0 6 SER N N 114.242 0.100 1 40 1 7 MET H H 8.558 0.020 1 41 1 7 MET HA H 4.499 0.020 1 42 1 7 MET HB2 H 2.014 0.020 2 43 1 7 MET HB3 H 2.148 0.020 2 44 1 7 MET HG2 H 2.636 0.020 2 45 1 7 MET HG3 H 2.543 0.020 2 46 1 7 MET CA C 55.839 0.100 1 47 1 7 MET CB C 32.595 0.100 1 48 1 7 MET CG C 32.213 0.100 1 49 1 7 MET N N 121.206 0.100 1 50 2 8 ASP H H 8.376 0.020 1 51 2 8 ASP HA H 4.573 0.020 1 52 2 8 ASP HB2 H 2.720 0.020 2 53 2 8 ASP HB3 H 2.638 0.020 2 54 2 8 ASP CA C 54.780 0.100 1 55 2 8 ASP CB C 41.013 0.100 1 56 2 8 ASP N N 119.796 0.100 1 57 3 9 GLN H H 8.333 0.020 1 58 3 9 GLN HA H 4.308 0.020 1 59 3 9 GLN HB2 H 2.025 0.020 2 60 3 9 GLN HB3 H 2.132 0.020 2 61 3 9 GLN HE21 H 6.957 0.020 2 62 3 9 GLN HE22 H 7.736 0.020 2 63 3 9 GLN CA C 56.113 0.100 1 64 3 9 GLN CB C 29.310 0.100 1 65 3 9 GLN N N 119.387 0.100 1 66 3 9 GLN NE2 N 112.430 0.100 1 67 4 10 LEU H H 8.410 0.020 1 68 4 10 LEU HA H 4.313 0.020 1 69 4 10 LEU HB2 H 1.698 0.020 2 70 4 10 LEU HB3 H 1.583 0.020 2 71 4 10 LEU HD1 H 0.933 0.020 2 72 4 10 LEU HD2 H 0.869 0.020 2 73 4 10 LEU CA C 55.635 0.100 1 74 4 10 LEU CB C 42.164 0.100 1 75 4 10 LEU CG C 26.923 0.100 1 76 4 10 LEU CD1 C 24.925 0.100 2 77 4 10 LEU CD2 C 23.479 0.100 2 78 4 10 LEU N N 122.394 0.100 1 79 5 11 ASP H H 8.442 0.020 1 80 5 11 ASP HA H 4.555 0.020 1 81 5 11 ASP HB2 H 2.709 0.020 2 82 5 11 ASP HB3 H 2.624 0.020 2 83 5 11 ASP CA C 54.880 0.100 1 84 5 11 ASP CB C 41.046 0.100 1 85 5 11 ASP N N 120.021 0.100 1 86 6 12 GLU H H 8.353 0.020 1 87 6 12 GLU HA H 4.224 0.020 1 88 6 12 GLU HB2 H 1.979 0.020 2 89 6 12 GLU HB3 H 2.030 0.020 2 90 6 12 GLU HG2 H 2.224 0.020 2 91 6 12 GLU HG3 H 2.303 0.020 2 92 6 12 GLU CA C 57.036 0.100 1 93 6 12 GLU CB C 30.119 0.100 1 94 6 12 GLU CG C 36.229 0.100 1 95 6 12 GLU N N 120.324 0.100 1 96 7 13 ILE H H 8.330 0.020 1 97 7 13 ILE HA H 4.063 0.020 1 98 7 13 ILE HB H 1.910 0.020 1 99 7 13 ILE HG12 H 1.200 0.020 2 100 7 13 ILE HG13 H 1.541 0.020 2 101 7 13 ILE HD1 H 0.853 0.020 1 102 7 13 ILE CA C 61.755 0.100 1 103 7 13 ILE CB C 38.303 0.100 1 104 7 13 ILE CG1 C 27.676 0.100 1 105 7 13 ILE CD1 C 12.747 0.100 1 106 7 13 ILE N N 122.244 0.100 1 107 8 14 ILE H H 8.363 0.020 1 108 8 14 ILE HA H 4.063 0.020 1 109 8 14 ILE HB H 1.879 0.020 1 110 8 14 ILE HG12 H 1.194 0.020 2 111 8 14 ILE HG13 H 1.520 0.020 2 112 8 14 ILE HG2 H 0.894 0.020 1 113 8 14 ILE HD1 H 0.860 0.020 1 114 8 14 ILE CA C 61.678 0.100 1 115 8 14 ILE CB C 38.328 0.100 1 116 8 14 ILE CG1 C 27.664 0.100 1 117 8 14 ILE CG2 C 17.451 0.100 1 118 8 14 ILE CD1 C 12.778 0.100 1 119 8 14 ILE N N 124.687 0.100 1 120 9 15 GLU H H 8.547 0.020 1 121 9 15 GLU HA H 4.212 0.020 1 122 9 15 GLU HB2 H 2.030 0.020 2 123 9 15 GLU HB3 H 1.979 0.020 2 124 9 15 GLU HG2 H 2.231 0.020 2 125 9 15 GLU HG3 H 2.314 0.020 2 126 9 15 GLU N N 123.989 0.100 1 127 10 16 GLN H H 8.553 0.020 1 128 10 16 GLN HA H 4.255 0.020 1 129 10 16 GLN HB2 H 2.036 0.020 2 130 10 16 GLN HG2 H 2.406 0.020 2 131 10 16 GLN CA C 56.419 0.100 1 132 10 16 GLN CB C 29.108 0.100 1 133 10 16 GLN CG C 33.679 0.100 1 134 11 17 ILE H H 8.351 0.020 1 135 11 17 ILE HA H 4.046 0.020 1 136 11 17 ILE HB H 1.878 0.020 1 137 11 17 ILE HG12 H 1.559 0.020 2 138 11 17 ILE HG13 H 1.194 0.020 2 139 11 17 ILE HG2 H 0.893 0.020 1 140 11 17 ILE HD1 H 0.852 0.020 1 141 11 17 ILE CA C 62.088 0.100 1 142 11 17 ILE CB C 38.449 0.100 1 143 11 17 ILE CG1 C 27.777 0.100 1 144 11 17 ILE CG2 C 17.362 0.100 1 145 11 17 ILE CD1 C 12.882 0.100 1 146 11 17 ILE N N 121.737 0.100 1 147 12 18 GLN H H 8.548 0.020 1 148 12 18 GLN HB2 H 2.108 0.020 2 149 12 18 GLN HB3 H 2.038 0.020 2 150 12 18 GLN HG2 H 2.406 0.020 2 151 12 18 GLN HE21 H 6.997 0.020 2 152 12 18 GLN HE22 H 7.657 0.020 2 153 12 18 GLN N N 123.278 0.100 1 154 12 18 GLN NE2 N 112.161 0.100 1 155 13 19 LYS H H 8.477 0.020 1 156 13 19 LYS HA H 4.226 0.020 1 157 13 19 LYS HB2 H 1.860 0.020 2 158 13 19 LYS HB3 H 1.794 0.020 2 159 13 19 LYS HE2 H 2.994 0.020 2 160 13 19 LYS CA C 57.117 0.100 1 161 13 19 LYS CB C 33.075 0.100 1 162 13 19 LYS CE C 42.143 0.100 1 163 13 19 LYS N N 122.307 0.100 1 164 14 20 GLU H H 8.489 0.020 1 165 14 20 GLU HA H 4.222 0.020 1 166 14 20 GLU HB2 H 1.971 0.020 2 167 14 20 GLU HB3 H 2.056 0.020 2 168 14 20 GLU HG2 H 2.287 0.020 2 169 14 20 GLU HG3 H 2.349 0.020 2 170 14 20 GLU CA C 56.804 0.100 1 171 14 20 GLU CB C 30.176 0.100 1 172 14 20 GLU CG C 36.221 0.100 1 173 14 20 GLU N N 120.614 0.100 1 174 15 21 ALA H H 8.400 0.020 1 175 15 21 ALA HA H 4.301 0.020 1 176 15 21 ALA HB H 1.413 0.020 1 177 15 21 ALA CA C 52.727 0.100 1 178 15 21 ALA CB C 18.998 0.100 1 179 15 21 ALA N N 124.422 0.100 1 180 16 22 ILE H H 8.233 0.020 1 181 16 22 ILE HA H 4.089 0.020 1 182 16 22 ILE HB H 1.873 0.020 1 183 16 22 ILE HG12 H 1.200 0.020 2 184 16 22 ILE HG13 H 1.526 0.020 2 185 16 22 ILE HG2 H 0.907 0.020 1 186 16 22 ILE HD1 H 0.869 0.020 1 187 16 22 ILE CA C 61.646 0.100 1 188 16 22 ILE CB C 38.667 0.100 1 189 16 22 ILE CG1 C 27.668 0.100 1 190 16 22 ILE CG2 C 17.372 0.100 1 191 16 22 ILE CD1 C 12.969 0.100 1 192 16 22 ILE N N 119.465 0.100 1 193 17 23 ASN H H 8.597 0.020 1 194 17 23 ASN HA H 4.746 0.020 1 195 17 23 ASN HB2 H 2.892 0.020 2 196 17 23 ASN HB3 H 2.796 0.020 2 197 17 23 ASN HD21 H 7.046 0.020 2 198 17 23 ASN HD22 H 7.777 0.020 2 199 17 23 ASN CA C 53.374 0.100 1 200 17 23 ASN CB C 38.841 0.100 1 201 17 23 ASN N N 121.677 0.100 1 202 17 23 ASN ND2 N 112.554 0.100 1 203 18 24 SER H H 8.452 0.020 1 204 18 24 SER HA H 4.409 0.020 1 205 18 24 SER HB2 H 3.942 0.020 2 206 18 24 SER HB3 H 3.867 0.020 2 207 18 24 SER CA C 58.827 0.100 1 208 18 24 SER CB C 63.665 0.100 1 209 18 24 SER N N 116.025 0.100 1 210 19 25 ASN H H 8.555 0.020 1 211 19 25 ASN HA H 4.722 0.020 1 212 19 25 ASN HB2 H 2.793 0.020 2 213 19 25 ASN HB3 H 2.849 0.020 2 214 19 25 ASN HD21 H 7.727 0.020 2 215 19 25 ASN HD22 H 7.031 0.020 2 216 19 25 ASN CA C 53.516 0.100 1 217 19 25 ASN CB C 38.834 0.100 1 218 19 25 ASN N N 119.917 0.100 1 219 19 25 ASN ND2 N 112.560 0.100 1 220 20 26 VAL H H 8.076 0.020 1 221 20 26 VAL HA H 4.055 0.020 1 222 20 26 VAL HB H 2.039 0.020 1 223 20 26 VAL HG1 H 0.905 0.020 2 224 20 26 VAL HG2 H 0.952 0.020 2 225 20 26 VAL CA C 62.658 0.100 1 226 20 26 VAL CB C 32.784 0.100 1 227 20 26 VAL CG1 C 21.141 0.100 2 228 20 26 VAL CG2 C 20.741 0.100 2 229 20 26 VAL N N 120.046 0.100 1 230 21 27 VAL H H 8.394 0.020 1 231 21 27 VAL HA H 4.046 0.020 1 232 21 27 VAL HB H 2.019 0.020 1 233 21 27 VAL HG1 H 0.952 0.020 2 234 21 27 VAL HG2 H 0.905 0.020 2 235 21 27 VAL CA C 62.511 0.100 1 236 21 27 VAL CB C 32.704 0.100 1 237 21 27 VAL CG1 C 20.794 0.100 2 238 21 27 VAL CG2 C 21.286 0.100 2 239 21 27 VAL N N 124.946 0.100 1 240 22 28 LEU H H 8.507 0.020 1 241 22 28 LEU HA H 4.354 0.020 1 242 22 28 LEU HB2 H 1.636 0.020 2 243 22 28 LEU HB3 H 1.535 0.020 2 244 22 28 LEU HG H 1.494 0.020 1 245 22 28 LEU HD1 H 0.935 0.020 2 246 22 28 LEU HD2 H 0.869 0.020 2 247 22 28 LEU CA C 54.878 0.100 1 248 22 28 LEU CB C 42.272 0.100 1 249 22 28 LEU CG C 26.955 0.100 1 250 22 28 LEU N N 126.501 0.100 1 251 23 29 LYS H H 8.469 0.020 1 252 23 29 LYS HA H 4.261 0.020 1 253 23 29 LYS HB2 H 1.784 0.020 2 254 23 29 LYS HB3 H 1.738 0.020 2 255 23 29 LYS HG2 H 1.380 0.020 2 256 23 29 LYS HG3 H 1.452 0.020 2 257 23 29 LYS CA C 56.236 0.100 1 258 23 29 LYS CB C 33.150 0.100 1 259 23 29 LYS N N 122.003 0.100 1 260 24 30 ASN H H 8.585 0.020 1 261 24 30 ASN HA H 4.953 0.020 1 262 24 30 ASN HB2 H 2.672 0.020 2 263 24 30 ASN HB3 H 2.844 0.020 2 264 24 30 ASN HD21 H 7.793 0.020 2 265 24 30 ASN HD22 H 7.059 0.020 2 266 24 30 ASN CA C 51.223 0.100 1 267 24 30 ASN CB C 38.839 0.100 1 268 24 30 ASN N N 119.937 0.100 1 269 24 30 ASN ND2 N 112.757 0.100 1 270 25 31 PRO HA H 4.419 0.020 1 271 25 31 PRO HB2 H 1.923 0.020 2 272 25 31 PRO HB3 H 2.284 0.020 2 273 25 31 PRO HG2 H 2.020 0.020 2 274 25 31 PRO HD2 H 3.781 0.020 2 275 25 31 PRO HD3 H 3.711 0.020 2 276 25 31 PRO CA C 63.111 0.100 1 277 25 31 PRO CB C 32.227 0.100 1 278 25 31 PRO CG C 27.326 0.100 1 279 25 31 PRO CD C 50.656 0.100 1 280 26 32 ARG H H 8.515 0.020 1 281 26 32 ARG HA H 4.285 0.020 1 282 26 32 ARG HB2 H 1.772 0.020 2 283 26 32 ARG HB3 H 1.831 0.020 2 284 26 32 ARG HG2 H 1.588 0.020 2 285 26 32 ARG HG3 H 1.668 0.020 2 286 26 32 ARG HD2 H 3.209 0.020 2 287 26 32 ARG CA C 56.228 0.100 1 288 26 32 ARG CB C 30.645 0.100 1 289 26 32 ARG CG C 27.096 0.100 1 290 26 32 ARG CD C 43.295 0.100 1 291 26 32 ARG N N 120.472 0.100 1 292 27 33 VAL H H 8.315 0.020 1 293 27 33 VAL HA H 4.431 0.020 1 294 27 33 VAL HB H 2.089 0.020 1 295 27 33 VAL HG1 H 0.995 0.020 2 296 27 33 VAL HG2 H 0.954 0.020 2 297 27 33 VAL CA C 59.888 0.100 1 298 27 33 VAL CB C 32.673 0.100 1 299 27 33 VAL CG1 C 20.930 0.100 2 300 27 33 VAL CG2 C 20.370 0.100 2 301 27 33 VAL N N 122.770 0.100 1 302 28 34 PRO HA H 4.481 0.020 1 303 28 34 PRO HB2 H 1.920 0.020 2 304 28 34 PRO HB3 H 2.340 0.020 2 305 28 34 PRO HG2 H 2.070 0.020 2 306 28 34 PRO HG3 H 1.999 0.020 2 307 28 34 PRO HD2 H 3.908 0.020 2 308 28 34 PRO HD3 H 3.724 0.020 2 309 28 34 PRO CA C 63.144 0.100 1 310 28 34 PRO CB C 32.299 0.100 1 311 28 34 PRO CG C 27.453 0.100 1 312 28 34 PRO CD C 51.161 0.100 1 313 29 35 THR H H 8.446 0.020 1 314 29 35 THR HA H 4.269 0.020 1 315 29 35 THR HB H 4.191 0.020 1 316 29 35 THR HG2 H 1.250 0.020 1 317 29 35 THR CA C 62.117 0.100 1 318 29 35 THR CB C 69.858 0.100 1 319 29 35 THR CG2 C 21.760 0.100 1 320 29 35 THR N N 114.830 0.100 1 321 30 36 GLN H H 8.622 0.020 1 322 30 36 GLN HA H 4.369 0.020 1 323 30 36 GLN HB2 H 2.103 0.020 2 324 30 36 GLN HB3 H 2.002 0.020 2 325 30 36 GLN HG2 H 2.373 0.020 2 326 30 36 GLN HE21 H 7.693 0.020 2 327 30 36 GLN HE22 H 7.014 0.020 2 328 30 36 GLN CA C 55.787 0.100 1 329 30 36 GLN CB C 29.661 0.100 1 330 30 36 GLN CG C 33.696 0.100 1 331 30 36 GLN N N 122.894 0.100 1 332 30 36 GLN NE2 N 112.378 0.100 1 333 31 37 LYS H H 8.733 0.020 1 334 31 37 LYS HA H 4.405 0.020 1 335 31 37 LYS HB2 H 1.754 0.020 2 336 31 37 LYS HB3 H 1.887 0.020 2 337 31 37 LYS HG2 H 1.438 0.020 2 338 31 37 LYS HD2 H 1.494 0.020 2 339 31 37 LYS HE2 H 3.004 0.020 2 340 31 37 LYS CA C 56.375 0.100 1 341 31 37 LYS CB C 33.080 0.100 1 342 31 37 LYS CE C 42.090 0.100 1 343 31 37 LYS N N 123.428 0.100 1 344 32 38 THR H H 8.453 0.020 1 345 32 38 THR HA H 4.304 0.020 1 346 32 38 THR HB H 4.227 0.020 1 347 32 38 THR HG2 H 1.230 0.020 1 348 32 38 THR CA C 62.576 0.100 1 349 32 38 THR CB C 69.762 0.100 1 350 32 38 THR CG2 C 21.681 0.100 1 351 32 38 THR N N 115.395 0.100 1 352 33 39 GLY H H 8.729 0.020 1 353 33 39 GLY HA2 H 4.007 0.020 1 354 33 39 GLY HA3 H 4.007 0.020 1 355 33 39 GLY CA C 45.446 0.100 1 356 33 39 GLY N N 111.143 0.100 1 357 34 40 GLU H H 8.221 0.020 1 358 34 40 GLU HA H 4.395 0.020 1 359 34 40 GLU HB2 H 2.091 0.020 2 360 34 40 GLU HB3 H 1.944 0.020 2 361 34 40 GLU HG2 H 2.304 0.020 2 362 34 40 GLU CA C 56.191 0.100 1 363 34 40 GLU CB C 31.025 0.100 1 364 34 40 GLU CG C 36.250 0.100 1 365 34 40 GLU N N 119.590 0.100 1 366 35 41 LEU H H 8.539 0.020 1 367 35 41 LEU HA H 4.510 0.020 1 368 35 41 LEU HG H 1.654 0.020 1 369 35 41 LEU HD1 H 0.570 0.020 2 370 35 41 LEU HD2 H 0.546 0.020 2 371 35 41 LEU CA C 54.648 0.100 1 372 35 41 LEU CB C 42.971 0.100 1 373 35 41 LEU CG C 27.321 0.100 1 374 35 41 LEU CD1 C 22.712 0.100 2 375 35 41 LEU CD2 C 25.946 0.100 2 376 35 41 LEU N N 121.828 0.100 1 377 36 42 SER H H 9.194 0.020 1 378 36 42 SER HA H 4.526 0.020 1 379 36 42 SER HB2 H 4.048 0.020 2 380 36 42 SER HB3 H 4.492 0.020 2 381 36 42 SER CA C 57.021 0.100 1 382 36 42 SER CB C 65.471 0.100 1 383 36 42 SER N N 117.377 0.100 1 384 37 43 GLU H H 9.256 0.020 1 385 37 43 GLU HA H 3.943 0.020 1 386 37 43 GLU HB2 H 2.088 0.020 2 387 37 43 GLU HG2 H 2.445 0.020 2 388 37 43 GLU HG3 H 2.391 0.020 2 389 37 43 GLU CA C 60.077 0.100 1 390 37 43 GLU CB C 29.023 0.100 1 391 37 43 GLU CG C 36.263 0.100 1 392 37 43 GLU N N 120.037 0.100 1 393 38 44 GLU H H 8.892 0.020 1 394 38 44 GLU HA H 4.070 0.020 1 395 38 44 GLU HB2 H 1.948 0.020 2 396 38 44 GLU HB3 H 2.098 0.020 2 397 38 44 GLU HG2 H 2.355 0.020 2 398 38 44 GLU CA C 60.041 0.100 1 399 38 44 GLU CB C 29.256 0.100 1 400 38 44 GLU CG C 36.618 0.100 1 401 38 44 GLU N N 118.793 0.100 1 402 39 45 GLN H H 7.972 0.020 1 403 39 45 GLN HA H 3.895 0.020 1 404 39 45 GLN HB2 H 2.559 0.020 2 405 39 45 GLN HB3 H 2.329 0.020 2 406 39 45 GLN HG2 H 2.631 0.020 2 407 39 45 GLN HG3 H 2.306 0.020 2 408 39 45 GLN HE21 H 7.798 0.020 2 409 39 45 GLN HE22 H 6.903 0.020 2 410 39 45 GLN CA C 59.018 0.100 1 411 39 45 GLN CB C 29.863 0.100 1 412 39 45 GLN CG C 35.221 0.100 1 413 39 45 GLN N N 118.414 0.100 1 414 39 45 GLN NE2 N 111.527 0.100 1 415 40 46 LYS H H 8.828 0.020 1 416 40 46 LYS HA H 3.769 0.020 1 417 40 46 LYS HB2 H 1.933 0.020 2 418 40 46 LYS HB3 H 1.839 0.020 2 419 40 46 LYS HG2 H 1.624 0.020 2 420 40 46 LYS HG3 H 1.311 0.020 2 421 40 46 LYS HD2 H 1.583 0.020 2 422 40 46 LYS HD3 H 1.673 0.020 2 423 40 46 LYS HE2 H 2.925 0.020 2 424 40 46 LYS CA C 60.638 0.100 1 425 40 46 LYS CB C 32.489 0.100 1 426 40 46 LYS CG C 27.063 0.100 1 427 40 46 LYS CD C 30.070 0.100 1 428 40 46 LYS CE C 41.902 0.100 1 429 40 46 LYS N N 118.436 0.100 1 430 41 47 LYS H H 7.571 0.020 1 431 41 47 LYS HA H 4.144 0.020 1 432 41 47 LYS HB2 H 1.920 0.020 2 433 41 47 LYS HB3 H 2.048 0.020 2 434 41 47 LYS HG2 H 1.444 0.020 2 435 41 47 LYS HG3 H 1.546 0.020 2 436 41 47 LYS HD2 H 1.669 0.020 2 437 41 47 LYS HD3 H 1.775 0.020 2 438 41 47 LYS HE2 H 3.018 0.020 2 439 41 47 LYS HE3 H 2.924 0.020 2 440 41 47 LYS CA C 59.273 0.100 1 441 41 47 LYS CB C 32.146 0.100 1 442 41 47 LYS CG C 25.054 0.100 1 443 41 47 LYS CD C 28.960 0.100 1 444 41 47 LYS CE C 42.318 0.100 1 445 41 47 LYS N N 120.170 0.100 1 446 42 48 ILE H H 7.553 0.020 1 447 42 48 ILE HA H 3.863 0.020 1 448 42 48 ILE HB H 1.998 0.020 1 449 42 48 ILE HG12 H 1.119 0.020 2 450 42 48 ILE HG13 H 1.843 0.020 2 451 42 48 ILE HG2 H 0.790 0.020 1 452 42 48 ILE HD1 H 0.903 0.020 1 453 42 48 ILE CA C 65.212 0.100 1 454 42 48 ILE CB C 37.869 0.100 1 455 42 48 ILE CG1 C 29.330 0.100 1 456 42 48 ILE CG2 C 18.263 0.100 1 457 42 48 ILE CD1 C 13.703 0.100 1 458 42 48 ILE N N 119.528 0.100 1 459 43 49 VAL H H 8.318 0.020 1 460 43 49 VAL HA H 3.611 0.020 1 461 43 49 VAL HB H 2.103 0.020 1 462 43 49 VAL HG1 H 0.955 0.020 2 463 43 49 VAL HG2 H 1.026 0.020 2 464 43 49 VAL CA C 67.468 0.100 1 465 43 49 VAL CB C 31.598 0.100 1 466 43 49 VAL CG1 C 24.187 0.100 2 467 43 49 VAL CG2 C 21.123 0.100 2 468 43 49 VAL N N 119.272 0.100 1 469 44 50 ALA H H 8.195 0.020 1 470 44 50 ALA HA H 4.074 0.020 1 471 44 50 ALA HB H 1.558 0.020 1 472 44 50 ALA CA C 55.689 0.100 1 473 44 50 ALA CB C 17.889 0.100 1 474 44 50 ALA N N 122.280 0.100 1 475 45 51 ASP H H 8.736 0.020 1 476 45 51 ASP HA H 4.436 0.020 1 477 45 51 ASP HB2 H 2.761 0.020 2 478 45 51 ASP HB3 H 2.863 0.020 2 479 45 51 ASP CA C 57.081 0.100 1 480 45 51 ASP CB C 39.807 0.100 1 481 45 51 ASP N N 118.918 0.100 1 482 46 52 TYR H H 8.187 0.020 1 483 46 52 TYR HA H 4.659 0.020 1 484 46 52 TYR HB2 H 3.317 0.020 2 485 46 52 TYR HB3 H 3.252 0.020 2 486 46 52 TYR HD1 H 7.028 0.020 1 487 46 52 TYR HD2 H 7.028 0.020 1 488 46 52 TYR HE1 H 6.691 0.020 1 489 46 52 TYR HE2 H 6.691 0.020 1 490 46 52 TYR CA C 58.555 0.100 1 491 46 52 TYR CB C 37.967 0.100 1 492 46 52 TYR CD1 C 132.360 0.100 3 493 46 52 TYR CD2 C 132.360 0.100 3 494 46 52 TYR CE1 C 117.897 0.100 3 495 46 52 TYR CE2 C 117.897 0.100 3 496 46 52 TYR N N 122.856 0.100 1 497 47 53 ILE H H 8.855 0.020 1 498 47 53 ILE HA H 3.130 0.020 1 499 47 53 ILE HB H 1.920 0.020 1 500 47 53 ILE HG12 H 1.199 0.020 2 501 47 53 ILE HG13 H 1.553 0.020 2 502 47 53 ILE HG2 H 0.921 0.020 1 503 47 53 ILE HD1 H 0.841 0.020 1 504 47 53 ILE CA C 66.180 0.100 1 505 47 53 ILE CB C 38.147 0.100 1 506 47 53 ILE CG1 C 27.756 0.100 1 507 47 53 ILE CG2 C 14.727 0.100 1 508 47 53 ILE CD1 C 17.532 0.100 1 509 47 53 ILE N N 119.162 0.100 1 510 48 54 SER H H 8.229 0.020 1 511 48 54 SER HA H 4.162 0.020 1 512 48 54 SER HB2 H 4.023 0.020 2 513 48 54 SER HB3 H 4.068 0.020 2 514 48 54 SER CA C 61.676 0.100 1 515 48 54 SER CB C 62.896 0.100 1 516 48 54 SER N N 114.642 0.100 1 517 49 55 GLU H H 7.799 0.020 1 518 49 55 GLU HA H 4.151 0.020 1 519 49 55 GLU HB2 H 2.363 0.020 2 520 49 55 GLU HB3 H 2.484 0.020 2 521 49 55 GLU HG2 H 2.556 0.020 2 522 49 55 GLU HG3 H 2.177 0.020 2 523 49 55 GLU CA C 59.255 0.100 1 524 49 55 GLU CB C 31.229 0.100 1 525 49 55 GLU CG C 35.645 0.100 1 526 49 55 GLU N N 120.179 0.100 1 527 50 56 VAL H H 7.777 0.020 1 528 50 56 VAL HA H 4.652 0.020 1 529 50 56 VAL HB H 2.248 0.020 1 530 50 56 VAL HG1 H 0.481 0.020 2 531 50 56 VAL HG2 H 0.992 0.020 2 532 50 56 VAL CA C 61.579 0.100 1 533 50 56 VAL CB C 34.105 0.100 1 534 50 56 VAL CG1 C 17.464 0.100 2 535 50 56 VAL CG2 C 22.069 0.100 2 536 50 56 VAL N N 106.188 0.100 1 537 51 57 GLY H H 8.386 0.020 1 538 51 57 GLY HA2 H 3.745 0.020 1 539 51 57 GLY HA3 H 4.519 0.020 2 540 51 57 GLY CA C 44.331 0.100 1 541 51 57 GLY N N 112.394 0.100 1 542 52 58 LEU H H 8.673 0.020 1 543 52 58 LEU HA H 3.794 0.020 1 544 52 58 LEU HB2 H 1.598 0.020 2 545 52 58 LEU HG H 1.592 0.020 1 546 52 58 LEU HD1 H 0.893 0.020 2 547 52 58 LEU HD2 H 0.913 0.020 2 548 52 58 LEU CA C 58.000 0.100 1 549 52 58 LEU CB C 42.543 0.100 1 550 52 58 LEU CG C 26.901 0.100 1 551 52 58 LEU CD1 C 24.944 0.100 2 552 52 58 LEU CD2 C 24.084 0.100 2 553 52 58 LEU N N 122.051 0.100 1 554 53 59 ASN H H 8.717 0.020 1 555 53 59 ASN HA H 4.622 0.020 1 556 53 59 ASN HB2 H 2.707 0.020 2 557 53 59 ASN HB3 H 2.836 0.020 2 558 53 59 ASN HD21 H 7.689 0.020 2 559 53 59 ASN HD22 H 7.026 0.020 2 560 53 59 ASN CA C 54.250 0.100 1 561 53 59 ASN CB C 37.995 0.100 1 562 53 59 ASN N N 111.613 0.100 1 563 53 59 ASN ND2 N 112.392 0.100 1 564 54 60 ASN H H 7.685 0.020 1 565 54 60 ASN HA H 5.044 0.020 1 566 54 60 ASN HB2 H 2.865 0.020 2 567 54 60 ASN HB3 H 2.490 0.020 2 568 54 60 ASN HD21 H 7.064 0.020 2 569 54 60 ASN HD22 H 7.937 0.020 2 570 54 60 ASN CA C 52.282 0.100 1 571 54 60 ASN CB C 39.561 0.100 1 572 54 60 ASN N N 115.080 0.100 1 573 54 60 ASN ND2 N 114.386 0.100 1 574 55 61 LEU H H 7.376 0.020 1 575 55 61 LEU HA H 3.782 0.020 1 576 55 61 LEU HB2 H 1.885 0.020 2 577 55 61 LEU HB3 H 1.107 0.020 2 578 55 61 LEU HG H 1.972 0.020 1 579 55 61 LEU HD1 H 0.319 0.020 2 580 55 61 LEU HD2 H 0.888 0.020 2 581 55 61 LEU CA C 56.604 0.100 1 582 55 61 LEU CB C 42.622 0.100 1 583 55 61 LEU CG C 26.186 0.100 1 584 55 61 LEU CD1 C 22.944 0.100 2 585 55 61 LEU CD2 C 26.178 0.100 2 586 55 61 LEU N N 118.097 0.100 1 587 56 62 ASN H H 8.468 0.020 1 588 56 62 ASN HA H 5.037 0.020 1 589 56 62 ASN HB2 H 2.921 0.020 2 590 56 62 ASN HB3 H 2.834 0.020 2 591 56 62 ASN HD21 H 8.101 0.020 2 592 56 62 ASN HD22 H 7.370 0.020 2 593 56 62 ASN CA C 52.466 0.100 1 594 56 62 ASN CB C 42.062 0.100 1 595 56 62 ASN N N 120.996 0.100 1 596 56 62 ASN ND2 N 114.775 0.100 1 597 57 63 ALA H H 9.479 0.020 1 598 57 63 ALA HA H 3.860 0.020 1 599 57 63 ALA HB H 1.498 0.020 1 600 57 63 ALA CA C 56.062 0.100 1 601 57 63 ALA CB C 19.058 0.100 1 602 57 63 ALA N N 127.893 0.100 1 603 58 64 THR H H 8.150 0.020 1 604 58 64 THR HA H 3.845 0.020 1 605 58 64 THR HB H 4.395 0.020 1 606 58 64 THR HG2 H 1.241 0.020 1 607 58 64 THR CA C 67.616 0.100 1 608 58 64 THR CB C 67.790 0.100 1 609 58 64 THR CG2 C 21.462 0.100 1 610 58 64 THR N N 115.690 0.100 1 611 59 65 GLU H H 8.301 0.020 1 612 59 65 GLU HA H 4.100 0.020 1 613 59 65 GLU HB2 H 2.175 0.020 2 614 59 65 GLU HB3 H 2.104 0.020 2 615 59 65 GLU HG2 H 2.387 0.020 2 616 59 65 GLU CA C 58.756 0.100 1 617 59 65 GLU CB C 28.765 0.100 1 618 59 65 GLU N N 123.771 0.100 1 619 60 66 LEU H H 8.737 0.020 1 620 60 66 LEU HA H 3.693 0.020 1 621 60 66 LEU HB2 H 1.877 0.020 2 622 60 66 LEU HB3 H 1.556 0.020 2 623 60 66 LEU HG H 1.528 0.020 1 624 60 66 LEU HD1 H 0.966 0.020 2 625 60 66 LEU HD2 H 0.963 0.020 2 626 60 66 LEU CA C 58.133 0.100 1 627 60 66 LEU CB C 42.219 0.100 1 628 60 66 LEU CG C 26.499 0.100 1 629 60 66 LEU CD1 C 24.055 0.100 2 630 60 66 LEU CD2 C 26.530 0.100 2 631 60 66 LEU N N 118.326 0.100 1 632 61 67 SER H H 8.291 0.020 1 633 61 67 SER HA H 3.911 0.020 1 634 61 67 SER HB2 H 3.983 0.020 2 635 61 67 SER HB3 H 4.063 0.020 2 636 61 67 SER HG H 5.789 0.020 1 637 61 67 SER CA C 61.453 0.100 1 638 61 67 SER CB C 61.956 0.100 1 639 61 67 SER N N 112.980 0.100 1 640 62 68 LYS H H 7.438 0.020 1 641 62 68 LYS HA H 4.140 0.020 1 642 62 68 LYS HB2 H 1.943 0.020 2 643 62 68 LYS HG2 H 1.352 0.020 2 644 62 68 LYS HG3 H 1.582 0.020 2 645 62 68 LYS HD2 H 1.650 0.020 2 646 62 68 LYS HD3 H 1.577 0.020 2 647 62 68 LYS HE2 H 2.894 0.020 2 648 62 68 LYS CA C 59.019 0.100 1 649 62 68 LYS CB C 32.483 0.100 1 650 62 68 LYS CG C 24.845 0.100 1 651 62 68 LYS CD C 29.505 0.100 1 652 62 68 LYS CE C 42.162 0.100 1 653 62 68 LYS N N 121.046 0.100 1 654 63 69 ARG H H 8.143 0.020 1 655 63 69 ARG HA H 4.059 0.020 1 656 63 69 ARG HB2 H 1.805 0.020 2 657 63 69 ARG HG2 H 1.579 0.020 2 658 63 69 ARG HD2 H 3.167 0.020 2 659 63 69 ARG CA C 59.193 0.100 1 660 63 69 ARG CB C 30.276 0.100 1 661 63 69 ARG CG C 27.020 0.100 1 662 63 69 ARG CD C 43.308 0.100 1 663 63 69 ARG N N 116.221 0.100 1 664 64 70 LEU H H 8.055 0.020 1 665 64 70 LEU HA H 4.385 0.020 1 666 64 70 LEU HB2 H 1.483 0.020 2 667 64 70 LEU HB3 H 1.668 0.020 2 668 64 70 LEU HD1 H 0.830 0.020 2 669 64 70 LEU HD2 H 0.612 0.020 2 670 64 70 LEU CA C 54.403 0.100 1 671 64 70 LEU CB C 44.099 0.100 1 672 64 70 LEU CG C 26.74 0.100 1 673 64 70 LEU CD1 C 23.912 0.100 2 674 64 70 LEU CD2 C 25.734 0.100 2 675 64 70 LEU N N 113.252 0.100 1 676 65 71 ASN H H 7.898 0.020 1 677 65 71 ASN HA H 4.446 0.020 1 678 65 71 ASN HB2 H 2.678 0.020 2 679 65 71 ASN HB3 H 3.239 0.020 2 680 65 71 ASN HD21 H 6.903 0.020 2 681 65 71 ASN HD22 H 7.651 0.020 2 682 65 71 ASN CA C 54.485 0.100 1 683 65 71 ASN CB C 37.067 0.100 1 684 65 71 ASN N N 117.526 0.100 1 685 65 71 ASN ND2 N 111.659 0.100 1 686 66 72 ILE H H 7.900 0.020 1 687 66 72 ILE HA H 4.940 0.020 1 688 66 72 ILE HB H 2.029 0.020 1 689 66 72 ILE HG12 H 1.479 0.020 2 690 66 72 ILE HG13 H 0.947 0.020 2 691 66 72 ILE HG2 H 0.801 0.020 1 692 66 72 ILE HD1 H 0.609 0.020 1 693 66 72 ILE CA C 59.082 0.100 1 694 66 72 ILE CB C 41.973 0.100 1 695 66 72 ILE CG1 C 24.381 0.100 1 696 66 72 ILE CG2 C 16.512 0.100 1 697 66 72 ILE CD1 C 13.615 0.100 1 698 66 72 ILE N N 109.470 0.100 1 699 67 73 THR H H 8.052 0.020 1 700 67 73 THR HA H 4.393 0.020 1 701 67 73 THR HB H 4.756 0.020 1 702 67 73 THR HG2 H 1.379 0.020 1 703 67 73 THR CA C 61.301 0.100 1 704 67 73 THR CB C 70.392 0.100 1 705 67 73 THR CG2 C 22.356 0.100 1 706 67 73 THR N N 109.762 0.100 1 707 68 74 VAL H H 8.962 0.020 1 708 68 74 VAL HA H 3.668 0.020 1 709 68 74 VAL HB H 2.084 0.020 1 710 68 74 VAL HG1 H 1.123 0.020 2 711 68 74 VAL HG2 H 0.935 0.020 2 712 68 74 VAL CA C 66.965 0.100 1 713 68 74 VAL CB C 31.565 0.100 1 714 68 74 VAL CG1 C 23.388 0.100 2 715 68 74 VAL CG2 C 21.361 0.100 2 716 68 74 VAL N N 121.174 0.100 1 717 69 75 ASP H H 8.442 0.020 1 718 69 75 ASP HA H 4.338 0.020 1 719 69 75 ASP HB2 H 2.603 0.020 2 720 69 75 ASP HB3 H 2.568 0.020 2 721 69 75 ASP CA C 57.844 0.100 1 722 69 75 ASP CB C 40.638 0.100 1 723 69 75 ASP N N 117.351 0.100 1 724 70 76 LYS H H 7.809 0.020 1 725 70 76 LYS HA H 4.086 0.020 1 726 70 76 LYS HB2 H 1.741 0.020 2 727 70 76 LYS HB3 H 1.895 0.020 2 728 70 76 LYS HG2 H 1.472 0.020 2 729 70 76 LYS HG3 H 1.364 0.020 2 730 70 76 LYS HD2 H 1.697 0.020 2 731 70 76 LYS HE2 H 2.950 0.020 2 732 70 76 LYS CA C 58.913 0.100 1 733 70 76 LYS CB C 32.105 0.100 1 734 70 76 LYS CG C 25.620 0.100 1 735 70 76 LYS CD C 28.914 0.100 1 736 70 76 LYS CE C 42.162 0.100 1 737 70 76 LYS N N 119.787 0.100 1 738 71 77 ALA H H 8.366 0.020 1 739 71 77 ALA HA H 3.972 0.020 1 740 71 77 ALA HB H 1.548 0.020 1 741 71 77 ALA CA C 55.494 0.100 1 742 71 77 ALA CB C 19.321 0.100 1 743 71 77 ALA N N 122.461 0.100 1 744 72 78 LYS H H 8.874 0.020 1 745 72 78 LYS HA H 3.897 0.020 1 746 72 78 LYS HB2 H 2.074 0.020 2 747 72 78 LYS HB3 H 1.891 0.020 2 748 72 78 LYS HG2 H 1.371 0.020 2 749 72 78 LYS HD2 H 1.699 0.020 2 750 72 78 LYS HE2 H 2.952 0.020 2 751 72 78 LYS CA C 60.620 0.100 1 752 72 78 LYS CB C 32.614 0.100 1 753 72 78 LYS CG C 26.711 0.100 1 754 72 78 LYS CD C 29.933 0.100 1 755 72 78 LYS CE C 41.907 0.100 1 756 72 78 LYS N N 117.156 0.100 1 757 73 79 THR H H 7.934 0.020 1 758 73 79 THR HA H 3.878 0.020 1 759 73 79 THR HB H 4.236 0.020 1 760 73 79 THR HG2 H 1.194 0.020 1 761 73 79 THR CA C 66.764 0.100 1 762 73 79 THR CB C 68.617 0.100 1 763 73 79 THR CG2 C 22.290 0.100 1 764 73 79 THR N N 116.952 0.100 1 765 74 80 TYR H H 8.069 0.020 1 766 74 80 TYR HA H 4.221 0.020 1 767 74 80 TYR HB2 H 2.980 0.020 2 768 74 80 TYR HB3 H 3.170 0.020 2 769 74 80 TYR HD1 H 6.816 0.020 1 770 74 80 TYR HD2 H 6.816 0.020 1 771 74 80 TYR HE1 H 6.623 0.020 1 772 74 80 TYR HE2 H 6.623 0.020 1 773 74 80 TYR CA C 61.512 0.100 1 774 74 80 TYR CB C 37.557 0.100 1 775 74 80 TYR CD1 C 132.325 0.100 3 776 74 80 TYR CD2 C 132.325 0.100 3 777 74 80 TYR CE1 C 118.093 0.100 3 778 74 80 TYR CE2 C 118.093 0.100 3 779 74 80 TYR N N 121.408 0.100 1 780 75 81 ILE H H 8.311 0.020 1 781 75 81 ILE HA H 3.497 0.020 1 782 75 81 ILE HB H 1.905 0.020 1 783 75 81 ILE HG12 H 1.941 0.020 2 784 75 81 ILE HG13 H 0.871 0.020 2 785 75 81 ILE HG2 H 0.951 0.020 1 786 75 81 ILE HD1 H 0.745 0.020 1 787 75 81 ILE CA C 65.630 0.100 1 788 75 81 ILE CB C 38.406 0.100 1 789 75 81 ILE CG1 C 24.44 0.100 1 790 75 81 ILE CG2 C 17.132 0.100 1 791 75 81 ILE CD1 C 13.147 0.100 1 792 75 81 ILE N N 119.498 0.100 1 793 76 82 LYS H H 8.218 0.020 1 794 76 82 LYS HA H 4.090 0.020 1 795 76 82 LYS HB2 H 1.923 0.020 2 796 76 82 LYS HG2 H 1.414 0.020 2 797 76 82 LYS HG3 H 1.535 0.020 2 798 76 82 LYS HD2 H 1.696 0.020 2 799 76 82 LYS HE2 H 2.967 0.020 2 800 76 82 LYS CA C 59.334 0.100 1 801 76 82 LYS CB C 32.328 0.100 1 802 76 82 LYS CG C 25.024 0.100 1 803 76 82 LYS CD C 29.106 0.100 1 804 76 82 LYS CE C 42.084 0.100 1 805 76 82 LYS N N 120.749 0.100 1 806 77 83 ASN H H 8.187 0.020 1 807 77 83 ASN HA H 4.583 0.020 1 808 77 83 ASN HB2 H 2.793 0.020 2 809 77 83 ASN HD21 H 7.145 0.020 2 810 77 83 ASN HD22 H 7.654 0.020 2 811 77 83 ASN CA C 54.874 0.100 1 812 77 83 ASN CB C 38.377 0.100 1 813 77 83 ASN N N 116.153 0.100 1 814 77 83 ASN ND2 N 112.679 0.100 1 815 78 84 SER H H 8.147 0.020 1 816 78 84 SER HA H 4.143 0.020 1 817 78 84 SER HB2 H 3.762 0.020 2 818 78 84 SER CA C 60.851 0.100 1 819 78 84 SER CB C 63.112 0.100 1 820 78 84 SER N N 115.687 0.100 1 821 79 85 ASN H H 8.228 0.020 1 822 79 85 ASN HA H 4.625 0.020 1 823 79 85 ASN HB2 H 2.847 0.020 2 824 79 85 ASN HD21 H 7.010 0.020 2 825 79 85 ASN HD22 H 7.648 0.020 2 826 79 85 ASN CA C 54.351 0.100 1 827 79 85 ASN N N 118.879 0.100 1 828 79 85 ASN ND2 N 111.601 0.100 1 829 80 86 ARG H H 8.014 0.020 1 830 80 86 ARG HA H 4.249 0.020 1 831 80 86 ARG HB2 H 1.946 0.020 2 832 80 86 ARG HB3 H 1.855 0.020 2 833 80 86 ARG HG2 H 1.627 0.020 2 834 80 86 ARG HG3 H 1.700 0.020 2 835 80 86 ARG HD2 H 3.176 0.020 2 836 80 86 ARG CA C 57.407 0.100 1 837 80 86 ARG CB C 30.449 0.100 1 838 80 86 ARG CG C 27.155 0.100 1 839 80 86 ARG CD C 43.359 0.100 1 840 80 86 ARG N N 119.408 0.100 1 841 81 87 MET H H 8.246 0.020 1 842 81 87 MET HA H 4.402 0.020 1 843 81 87 MET HB2 H 2.087 0.020 2 844 81 87 MET HG2 H 2.545 0.020 2 845 81 87 MET HG3 H 2.645 0.020 2 846 81 87 MET CA C 56.364 0.100 1 847 81 87 MET CB C 32.447 0.100 1 848 81 87 MET CG C 32.146 0.100 1 849 81 87 MET N N 118.491 0.100 1 850 82 88 GLY H H 8.358 0.020 1 851 82 88 GLY HA2 H 3.955 0.020 1 852 82 88 GLY HA3 H 3.955 0.020 1 853 82 88 GLY CA C 45.607 0.100 1 854 82 88 GLY N N 108.048 0.100 1 855 83 89 ARG H H 8.188 0.020 1 856 83 89 ARG HA H 4.403 0.020 1 857 83 89 ARG HB2 H 1.808 0.020 2 858 83 89 ARG HB3 H 1.920 0.020 2 859 83 89 ARG HG2 H 1.691 0.020 2 860 83 89 ARG HG3 H 1.621 0.020 2 861 83 89 ARG HD2 H 3.184 0.020 2 862 83 89 ARG CA C 56.405 0.100 1 863 83 89 ARG CB C 30.830 0.100 1 864 83 89 ARG CG C 27.171 0.100 1 865 83 89 ARG CD C 43.334 0.100 1 866 83 89 ARG N N 119.389 0.100 1 867 84 90 THR H H 8.282 0.020 1 868 84 90 THR HA H 4.339 0.020 1 869 84 90 THR HB H 4.251 0.020 1 870 84 90 THR HG2 H 1.198 0.020 1 871 84 90 THR CA C 61.972 0.100 1 872 84 90 THR CB C 69.847 0.100 1 873 84 90 THR CG2 C 21.612 0.100 1 874 84 90 THR N N 113.529 0.100 1 875 85 91 ASN H H 8.524 0.020 1 876 85 91 ASN HA H 4.653 0.020 1 877 85 91 ASN HB2 H 2.701 0.020 2 878 85 91 ASN HB3 H 2.767 0.020 2 879 85 91 ASN HD21 H 7.712 0.020 2 880 85 91 ASN HD22 H 7.020 0.020 2 881 85 91 ASN CA C 53.421 0.100 1 882 85 91 ASN CB C 38.870 0.100 1 883 85 91 ASN N N 119.793 0.100 1 884 85 91 ASN ND2 N 111.903 0.100 1 885 86 92 ASN H H 8.432 0.020 1 886 86 92 ASN HA H 4.656 0.020 1 887 86 92 ASN HB2 H 2.661 0.020 2 888 86 92 ASN HB3 H 2.759 0.020 2 889 86 92 ASN HD21 H 7.641 0.020 2 890 86 92 ASN HD22 H 6.974 0.020 2 891 86 92 ASN CA C 53.317 0.100 1 892 86 92 ASN CB C 38.702 0.100 1 893 86 92 ASN N N 118.176 0.100 1 894 86 92 ASN ND2 N 112.159 0.100 1 895 87 93 PHE H H 8.261 0.020 1 896 87 93 PHE HA H 4.563 0.020 1 897 87 93 PHE HB2 H 3.049 0.020 2 898 87 93 PHE HB3 H 3.170 0.020 2 899 87 93 PHE HD1 H 7.234 0.020 1 900 87 93 PHE HD2 H 7.234 0.020 1 901 87 93 PHE HE1 H 7.325 0.020 1 902 87 93 PHE HE2 H 7.325 0.020 1 903 87 93 PHE HZ H 7.143 0.020 1 904 87 93 PHE CA C 58.047 0.100 1 905 87 93 PHE CB C 39.205 0.100 1 906 87 93 PHE N N 119.264 0.100 1 907 88 94 LYS H H 8.229 0.020 1 908 88 94 LYS HA H 4.328 0.020 1 909 88 94 LYS HB2 H 1.793 0.020 2 910 88 94 LYS HB3 H 1.721 0.020 2 911 88 94 LYS HG2 H 1.333 0.020 2 912 88 94 LYS HG3 H 1.391 0.020 2 913 88 94 LYS HD2 H 1.649 0.020 2 914 88 94 LYS HE2 H 2.959 0.020 2 915 88 94 LYS CA C 56.394 0.100 1 916 88 94 LYS CB C 33.326 0.100 1 917 88 94 LYS CG C 24.870 0.100 1 918 88 94 LYS CD C 29.160 0.100 1 919 88 94 LYS CE C 42.148 0.100 1 920 88 94 LYS N N 121.657 0.100 1 921 89 95 THR H H 8.210 0.020 1 922 89 95 THR HA H 4.309 0.020 1 923 89 95 THR HB H 4.185 0.020 1 924 89 95 THR HG2 H 1.193 0.020 1 925 89 95 THR CA C 62.036 0.100 1 926 89 95 THR CB C 69.772 0.100 1 927 89 95 THR CG2 C 21.582 0.100 1 928 89 95 THR N N 115.220 0.100 1 929 90 96 ILE H H 8.312 0.020 1 930 90 96 ILE HA H 4.147 0.020 1 931 90 96 ILE HB H 1.840 0.020 1 932 90 96 ILE HG12 H 1.467 0.020 2 933 90 96 ILE HG13 H 1.173 0.020 2 934 90 96 ILE HG2 H 0.863 0.020 1 935 90 96 ILE HD1 H 0.843 0.020 1 936 90 96 ILE CA C 61.259 0.100 1 937 90 96 ILE CB C 38.770 0.100 1 938 90 96 ILE CG1 C 27.414 0.100 1 939 90 96 ILE CG2 C 17.548 0.100 1 940 90 96 ILE CD1 C 13.008 0.100 1 941 90 96 ILE N N 122.996 0.100 1 942 91 97 LYS H H 8.494 0.020 1 943 91 97 LYS HA H 4.287 0.020 1 944 91 97 LYS HB2 H 1.693 0.020 2 945 91 97 LYS HB3 H 1.749 0.020 2 946 91 97 LYS HG2 H 1.327 0.020 2 947 91 97 LYS HG3 H 1.408 0.020 2 948 91 97 LYS HD2 H 1.658 0.020 2 949 91 97 LYS HE2 H 2.957 0.020 2 950 91 97 LYS CA C 56.254 0.100 1 951 91 97 LYS CB C 32.780 0.100 1 952 91 97 LYS CG C 24.883 0.100 1 953 91 97 LYS CD C 29.131 0.100 1 954 91 97 LYS CE C 42.141 0.100 1 955 91 97 LYS N N 125.037 0.100 1 956 92 98 MET H H 8.486 0.020 1 957 92 98 MET HA H 4.315 0.020 1 958 92 98 MET HB2 H 1.869 0.020 2 959 92 98 MET HG2 H 2.482 0.020 2 960 92 98 MET HG3 H 2.381 0.020 2 961 92 98 MET HE H 1.937 0.020 1 962 92 98 MET CA C 55.910 0.100 1 963 92 98 MET CB C 32.786 0.100 1 964 92 98 MET CG C 31.977 0.100 1 965 92 98 MET CE C 16.760 0.100 1 966 92 98 MET N N 121.088 0.100 1 967 93 99 PHE H H 8.353 0.020 1 968 93 99 PHE HA H 4.653 0.020 1 969 93 99 PHE HB2 H 3.236 0.020 2 970 93 99 PHE HB3 H 3.010 0.020 2 971 93 99 PHE HD1 H 7.268 0.020 1 972 93 99 PHE HD2 H 7.268 0.020 1 973 93 99 PHE HE1 H 7.298 0.020 1 974 93 99 PHE HE2 H 7.298 0.020 1 975 93 99 PHE CA C 57.599 0.100 1 976 93 99 PHE CB C 39.477 0.100 1 977 93 99 PHE N N 118.408 0.100 1 978 94 100 GLU H H 8.383 0.020 1 979 94 100 GLU HA H 4.286 0.020 1 980 94 100 GLU HB2 H 1.916 0.020 2 981 94 100 GLU HB3 H 2.052 0.020 2 982 94 100 GLU HG2 H 2.249 0.020 2 983 94 100 GLU CA C 56.522 0.100 1 984 94 100 GLU CB C 30.625 0.100 1 985 94 100 GLU CG C 36.261 0.100 1 986 94 100 GLU N N 120.827 0.100 1 987 95 101 ASP H H 8.503 0.020 1 988 95 101 ASP HA H 4.582 0.020 1 989 95 101 ASP HB2 H 2.612 0.020 2 990 95 101 ASP HB3 H 2.713 0.020 2 991 95 101 ASP CA C 54.424 0.100 1 992 95 101 ASP CB C 41.263 0.100 1 993 95 101 ASP N N 120.741 0.100 1 994 96 102 ASP H H 8.459 0.020 1 995 96 102 ASP HA H 4.623 0.020 1 996 96 102 ASP HB2 H 2.745 0.020 2 997 96 102 ASP HB3 H 2.654 0.020 2 998 96 102 ASP CA C 54.410 0.100 1 999 96 102 ASP CB C 41.126 0.100 1 1000 96 102 ASP N N 120.377 0.100 1 1001 97 103 VAL H H 8.293 0.020 1 1002 97 103 VAL HA H 4.159 0.020 1 1003 97 103 VAL HB H 2.185 0.020 1 1004 97 103 VAL HG1 H 0.939 0.020 2 1005 97 103 VAL HG2 H 0.941 0.020 2 1006 97 103 VAL CA C 62.668 0.100 1 1007 97 103 VAL CB C 32.370 0.100 1 1008 97 103 VAL CG1 C 21.112 0.100 2 1009 97 103 VAL CG2 C 20.382 0.100 2 1010 97 103 VAL N N 119.951 0.100 1 1011 98 104 SER H H 8.578 0.020 1 1012 98 104 SER HA H 4.440 0.020 1 1013 98 104 SER HB2 H 3.938 0.020 2 1014 98 104 SER HB3 H 3.877 0.020 2 1015 98 104 SER CA C 59.045 0.100 1 1016 98 104 SER CB C 63.714 0.100 1 1017 98 104 SER N N 118.467 0.100 1 1018 99 105 SER H H 8.442 0.020 1 1019 99 105 SER HA H 4.437 0.020 1 1020 99 105 SER HB2 H 3.878 0.020 2 1021 99 105 SER HB3 H 3.937 0.020 2 1022 99 105 SER CA C 58.825 0.100 1 1023 99 105 SER CB C 63.644 0.100 1 1024 99 105 SER N N 117.312 0.100 1 1025 100 106 ALA H H 8.362 0.020 1 1026 100 106 ALA HA H 4.340 0.020 1 1027 100 106 ALA HB H 1.420 0.020 1 1028 100 106 ALA CA C 52.954 0.100 1 1029 100 106 ALA CB C 19.157 0.100 1 1030 100 106 ALA N N 125.101 0.100 1 1031 101 107 SER H H 8.296 0.020 1 1032 101 107 SER HA H 4.421 0.020 1 1033 101 107 SER HB2 H 3.877 0.020 2 1034 101 107 SER HB3 H 3.938 0.020 2 1035 101 107 SER CA C 58.393 0.100 1 1036 101 107 SER CB C 63.832 0.100 1 1037 101 107 SER N N 114.004 0.100 1 1038 102 108 ALA H H 8.331 0.020 1 1039 102 108 ALA HA H 4.333 0.020 1 1040 102 108 ALA HB H 1.393 0.020 1 1041 102 108 ALA CA C 52.455 0.100 1 1042 102 108 ALA CB C 19.229 0.100 1 1043 102 108 ALA N N 125.162 0.100 1 1044 103 109 GLN H H 8.467 0.020 1 1045 103 109 GLN HA H 4.598 0.020 1 1046 103 109 GLN HB2 H 1.947 0.020 2 1047 103 109 GLN HB3 H 2.129 0.020 2 1048 103 109 GLN HG2 H 2.419 0.020 2 1049 103 109 GLN HE21 H 7.690 0.020 2 1050 103 109 GLN HE22 H 7.017 0.020 2 1051 103 109 GLN CA C 53.551 0.100 1 1052 103 109 GLN CB C 28.948 0.100 1 1053 103 109 GLN CG C 33.457 0.100 1 1054 103 109 GLN N N 120.134 0.100 1 1055 103 109 GLN NE2 N 112.680 0.100 1 1056 104 110 PRO HA H 4.412 0.020 1 1057 104 110 PRO HB2 H 1.895 0.020 2 1058 104 110 PRO HB3 H 2.291 0.020 2 1059 104 110 PRO HG2 H 2.023 0.020 2 1060 104 110 PRO HD2 H 3.688 0.020 2 1061 104 110 PRO HD3 H 3.774 0.020 2 1062 104 110 PRO CA C 63.154 0.100 1 1063 104 110 PRO CB C 32.211 0.100 1 1064 105 111 ASN H H 8.681 0.020 1 1065 105 111 ASN HA H 4.674 0.020 1 1066 105 111 ASN HB2 H 2.713 0.020 2 1067 105 111 ASN HB3 H 2.802 0.020 2 1068 105 111 ASN HD21 H 7.739 0.020 2 1069 105 111 ASN HD22 H 7.047 0.020 2 1070 105 111 ASN CA C 53.182 0.100 1 1071 105 111 ASN CB C 38.822 0.100 1 1072 105 111 ASN N N 118.115 0.100 1 1073 105 111 ASN ND2 N 112.820 0.100 1 1074 106 112 LEU H H 8.364 0.020 1 1075 106 112 LEU HA H 4.637 0.020 1 1076 106 112 LEU HB2 H 1.619 0.020 2 1077 106 112 LEU HG H 1.663 0.020 1 1078 106 112 LEU HD1 H 0.920 0.020 2 1079 106 112 LEU HD2 H 0.956 0.020 2 1080 106 112 LEU CA C 52.948 0.100 1 1081 106 112 LEU CB C 41.505 0.100 1 1082 106 112 LEU CG C 26.905 0.100 1 1083 106 112 LEU CD1 C 23.234 0.100 2 1084 106 112 LEU CD2 C 25.267 0.100 2 1085 106 112 LEU N N 124.088 0.100 1 1086 107 113 PRO HA H 4.232 0.020 1 1087 107 113 PRO HB2 H 2.229 0.020 2 1088 107 113 PRO HB3 H 1.902 0.020 2 1089 107 113 PRO HG2 H 1.994 0.020 2 1090 107 113 PRO HD2 H 3.776 0.020 2 1091 107 113 PRO HD3 H 3.656 0.020 2 1092 107 113 PRO CA C 64.691 0.100 1 1093 107 113 PRO CB C 32.086 0.100 1 1094 107 113 PRO CG C 27.231 0.100 1 1095 107 113 PRO CD C 50.294 0.100 1 stop_ save_