data_16882 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Ubiquitin-Binding Motif of Human Polymerase Iota ; _BMRB_accession_number 16882 _BMRB_flat_file_name bmr16882.str _Entry_type original _Submission_date 2010-04-19 _Accession_date 2010-04-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution Structure of the Ubiquitin-Binding Motif of Human Polymerase Iota' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bomar Martha G. . 2 D'Souza Sanjay . . 3 Bienko Marzena . . 4 Dikic Ivan . . 5 Walker Graham . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 586 "13C chemical shifts" 435 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 original author . stop_ _Original_release_date 2010-06-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Unconventional ubiquitin recognition by the ubiquitin-binding motif within the Y family DNA polymerases iota and Rev1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20159559 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bomar Martha G. . 2 Bienko Sanjay . . 3 Dikic Marzena . . 4 Walker Ivan . . 5 Zhou Graham C. . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_name_full 'Molecular cell' _Journal_volume 37 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 408 _Page_last 417 _Year 2010 _Details . loop_ _Keyword TLS UBM stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ubiquitin-Binding Motif' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UBM2 $UBM2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UBM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ubiquitin-Binding Motif' _Molecular_mass 3753.299 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTEGSDE KITFPSDIDPQVFYELPEAV QKELLAEWKRTGSDFHIGHK LEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 TYR 4 LYS 5 LEU 6 ILE 7 LEU 8 ASN 9 GLY 10 LYS 11 THR 12 LEU 13 LYS 14 GLY 15 GLU 16 THR 17 THR 18 THR 19 GLU 20 ALA 21 VAL 22 ASP 23 ALA 24 ALA 25 THR 26 ALA 27 GLU 28 LYS 29 VAL 30 PHE 31 LYS 32 GLN 33 TYR 34 ALA 35 ASN 36 ASP 37 ASN 38 GLY 39 VAL 40 ASP 41 GLY 42 GLU 43 TRP 44 THR 45 TYR 46 ASP 47 ASP 48 ALA 49 THR 50 LYS 51 THR 52 PHE 53 THR 54 VAL 55 THR 56 GLU 57 GLY 58 SER 59 ASP 60 GLU 61 LYS 62 ILE 63 THR 64 PHE 65 PRO 66 SER 67 ASP 68 ILE 69 ASP 70 PRO 71 GLN 72 VAL 73 PHE 74 TYR 75 GLU 76 LEU 77 PRO 78 GLU 79 ALA 80 VAL 81 GLN 82 LYS 83 GLU 84 LEU 85 LEU 86 ALA 87 GLU 88 TRP 89 LYS 90 ARG 91 THR 92 GLY 93 SER 94 ASP 95 PHE 96 HIS 97 ILE 98 GLY 99 HIS 100 LYS 101 LEU 102 GLU 103 HIS 104 HIS 105 HIS 106 HIS 107 HIS 108 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 BMRB 15156 GB1 51.85 56 100.00 100.00 4.94e-30 BMRB 15380 GB1 51.85 56 100.00 100.00 4.94e-30 BMRB 16444 SC35 53.70 158 100.00 100.00 9.19e-31 BMRB 16627 Protein_GB1_(2Q6I) 51.85 56 100.00 100.00 4.94e-30 BMRB 16873 GB1 51.85 56 100.00 100.00 4.94e-30 BMRB 17810 entity 51.85 56 100.00 100.00 4.94e-30 BMRB 18397 GB1 51.85 56 100.00 100.00 4.94e-30 BMRB 26630 Protein_G_Domain_Beta-1_Wild_Type 51.85 64 98.21 98.21 1.04e-28 PDB 1GB1 "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G" 51.85 56 98.21 98.21 4.68e-29 PDB 1PGA "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptococcal Protein G And Comparison With Nmr" 51.85 56 98.21 98.21 4.68e-29 PDB 1PGB "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptoccocal Protein G And Comparison With Nmr" 51.85 56 98.21 98.21 4.68e-29 PDB 1PN5 "Nmr Structure Of The Nalp1 Pyrin Domain (Pyd)" 53.70 159 100.00 100.00 6.83e-31 PDB 2CWB "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" 52.78 108 98.25 98.25 3.36e-29 PDB 2DEN "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" 52.78 108 98.25 98.25 3.36e-29 PDB 2GB1 "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G" 51.85 56 98.21 98.21 4.68e-29 PDB 2GI9 "Backbone Conformational Constraints In A Microcrystalline U- 15n-Labeled Protein By 3d Dipolar-Shift Solid-State Nmr Spectrosco" 51.85 56 100.00 100.00 4.94e-30 PDB 2I2Y "Solution Structure Of The Rrm Of Srp20 Bound To The Rna Cauc" 53.70 150 100.00 100.00 1.37e-30 PDB 2I38 "Solution Structure Of The Rrm Of Srp20" 53.70 150 100.00 100.00 1.26e-30 PDB 2JSV "Dipole Tensor-Based Refinement For Atomic-Resolution Structure Determination Of A Nanocrystalline Protein By Solid-State Nmr Sp" 51.85 56 100.00 100.00 4.94e-30 PDB 2JU6 "Solid-State Protein Structure Determination With Proton- Detected Triple Resonance 3d Magic-Angle Spinning Nmr Spectroscopy" 51.85 56 100.00 100.00 4.94e-30 PDB 2K0P "Determination Of A Protein Structure In The Solid State From Nmr Chemical Shifts" 51.85 56 100.00 100.00 4.94e-30 PDB 2KBT "Attachment Of An Nmr-Invisible Solubility Enhancement Tag (Inset) Using A Sortase-Mediated Protein Ligation Method" 51.85 142 98.21 98.21 4.23e-28 PDB 2KHU "Solution Structure Of The Ubiquitin-Binding Motif Of Human Polymerase Iota" 100.00 108 100.00 100.00 3.06e-72 PDB 2KHW "Solution Structure Of The Human Polymerase Iota Ubm2- Ubiquitin Complex" 100.00 108 100.00 100.00 3.06e-72 PDB 2KLK "Solution Structure Of Gb1 A34f Mutant With Rdc And Saxs" 51.85 56 98.21 98.21 6.00e-29 PDB 2KN4 "The Structure Of The Rrm Domain Of Sc35" 53.70 158 100.00 100.00 9.19e-31 PDB 2KQ4 "Atomic Resolution Protein Structure Determination By Three- Dimensional Transferred Echo Double Resonance Solid-State Nuclear M" 51.85 56 100.00 100.00 4.94e-30 PDB 2KWD "Supramolecular Protein Structure Determination By Site-Speci Range Intermolecular Solid State Nmr Spectroscopy" 51.85 56 100.00 100.00 4.94e-30 PDB 2LGI "Atomic Resolution Protein Structures Using Nmr Chemical Shift Tensors" 51.85 56 100.00 100.00 4.94e-30 PDB 2QMT "Crystal Polymorphism Of Protein Gb1 Examined By Solid-State Nmr And X-Ray Diffraction" 51.85 56 100.00 100.00 4.94e-30 PDB 2RMM "Solution Structure Of Gb1 A34f Mutant" 51.85 56 98.21 98.21 6.00e-29 PDB 3GB1 "Structures Of B1 Domain Of Streptococcal Protein G" 51.85 56 98.21 98.21 4.68e-29 PDB 3MP9 "Structure Of Streptococcal Protein G B1 Domain At Ph 3.0" 50.00 64 100.00 100.00 7.97e-28 PDB 4Q0C "3.1 A Resolution Crystal Structure Of The B. Pertussis Bvgs Periplasmic Domain" 51.85 584 98.21 98.21 4.59e-27 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UBM2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $UBM2 'recombinant technology' . Escherichia coli . pET30-GB1-fusion 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $UBM2 . mM 1 4 '[U-100% 13C; U-100% 15N]' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.19 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details N/A save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HCCH-TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HCCH-TOCSY' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' '3D HN(COCA)CB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name UBM2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.196 0.020 1 2 1 1 MET C C 171.003 0.400 1 3 1 1 MET CA C 54.568 0.400 1 4 2 2 GLN H H 8.377 0.020 1 5 2 2 GLN HA H 4.982 0.020 1 6 2 2 GLN HB2 H 2.027 0.020 1 7 2 2 GLN HB3 H 2.027 0.020 1 8 2 2 GLN HG2 H 2.146 0.020 2 9 2 2 GLN HG3 H 2.383 0.020 2 10 2 2 GLN C C 174.899 0.400 1 11 2 2 GLN CA C 55.839 0.400 1 12 2 2 GLN CB C 30.477 0.400 1 13 2 2 GLN CG C 35.092 0.400 1 14 2 2 GLN N N 123.519 0.400 1 15 3 3 TYR H H 9.116 0.020 1 16 3 3 TYR HA H 5.370 0.020 1 17 3 3 TYR HB2 H 2.753 0.020 2 18 3 3 TYR HB3 H 3.421 0.020 2 19 3 3 TYR HD1 H 7.157 0.020 1 20 3 3 TYR HD2 H 7.157 0.020 1 21 3 3 TYR HE1 H 6.937 0.020 1 22 3 3 TYR HE2 H 6.937 0.020 1 23 3 3 TYR C C 174.814 0.400 1 24 3 3 TYR CA C 57.122 0.400 1 25 3 3 TYR CB C 43.393 0.400 1 26 3 3 TYR CD1 C 133.407 0.400 1 27 3 3 TYR CE1 C 117.754 0.400 1 28 3 3 TYR N N 124.683 0.400 1 29 4 4 LYS H H 9.111 0.020 1 30 4 4 LYS HA H 5.236 0.020 1 31 4 4 LYS HB2 H 1.905 0.020 2 32 4 4 LYS HB3 H 2.044 0.020 2 33 4 4 LYS HD2 H 1.642 0.020 1 34 4 4 LYS HD3 H 1.642 0.020 1 35 4 4 LYS HE2 H 2.787 0.020 2 36 4 4 LYS HE3 H 2.870 0.020 2 37 4 4 LYS HG2 H 1.368 0.020 2 38 4 4 LYS HG3 H 1.491 0.020 2 39 4 4 LYS C C 172.831 0.400 1 40 4 4 LYS CA C 55.058 0.400 1 41 4 4 LYS CB C 35.897 0.400 1 42 4 4 LYS CD C 28.923 0.400 1 43 4 4 LYS CE C 41.875 0.400 1 44 4 4 LYS CG C 25.556 0.400 1 45 4 4 LYS N N 122.340 0.400 1 46 5 5 LEU H H 8.627 0.020 1 47 5 5 LEU HA H 4.962 0.020 1 48 5 5 LEU HB2 H 0.745 0.020 2 49 5 5 LEU HB3 H -1.115 0.020 2 50 5 5 LEU HD1 H 0.561 0.020 2 51 5 5 LEU HD2 H 0.593 0.020 2 52 5 5 LEU HG H 0.887 0.020 1 53 5 5 LEU C C 174.630 0.400 1 54 5 5 LEU CA C 52.452 0.400 1 55 5 5 LEU CB C 42.640 0.400 1 56 5 5 LEU CD1 C 24.472 0.400 1 57 5 5 LEU CD2 C 25.722 0.400 1 58 5 5 LEU CG C 27.019 0.400 1 59 5 5 LEU N N 126.380 0.400 1 60 6 6 ILE H H 9.098 0.020 1 61 6 6 ILE HA H 4.333 0.020 1 62 6 6 ILE HB H 1.960 0.020 1 63 6 6 ILE HD1 H 0.795 0.020 1 64 6 6 ILE HG12 H 1.110 0.020 2 65 6 6 ILE HG13 H 1.426 0.020 2 66 6 6 ILE HG2 H 0.809 0.020 1 67 6 6 ILE C C 174.701 0.400 1 68 6 6 ILE CA C 60.234 0.400 1 69 6 6 ILE CB C 37.965 0.400 1 70 6 6 ILE CD1 C 12.500 0.400 1 71 6 6 ILE CG1 C 27.369 0.400 1 72 6 6 ILE CG2 C 16.976 0.400 1 73 6 6 ILE N N 126.147 0.400 1 74 7 7 LEU H H 8.721 0.020 1 75 7 7 LEU HA H 4.483 0.020 1 76 7 7 LEU HB2 H 1.373 0.020 2 77 7 7 LEU HB3 H 1.426 0.020 2 78 7 7 LEU HD1 H 0.782 0.020 1 79 7 7 LEU HD2 H 0.782 0.020 1 80 7 7 LEU HG H 1.292 0.020 1 81 7 7 LEU C C 174.906 0.400 1 82 7 7 LEU CA C 54.288 0.400 1 83 7 7 LEU CB C 42.134 0.400 1 84 7 7 LEU CD1 C 25.801 0.400 1 85 7 7 LEU CG C 27.585 0.400 1 86 7 7 LEU N N 125.662 0.400 1 87 8 8 ASN H H 8.860 0.020 1 88 8 8 ASN HA H 5.250 0.020 1 89 8 8 ASN HB2 H 2.534 0.020 2 90 8 8 ASN HB3 H 2.984 0.020 2 91 8 8 ASN C C 175.466 0.400 1 92 8 8 ASN CA C 50.897 0.400 1 93 8 8 ASN CB C 37.948 0.400 1 94 8 8 ASN N N 125.662 0.400 1 95 9 9 GLY H H 7.959 0.020 1 96 9 9 GLY HA2 H 4.459 0.020 2 97 9 9 GLY HA3 H 4.042 0.020 2 98 9 9 GLY C C 173.390 0.400 1 99 9 9 GLY CA C 44.673 0.400 1 100 9 9 GLY N N 109.936 0.400 1 101 10 10 LYS H H 9.330 0.020 1 102 10 10 LYS HA H 4.062 0.020 1 103 10 10 LYS HB2 H 1.823 0.020 1 104 10 10 LYS HB3 H 1.823 0.020 1 105 10 10 LYS HD2 H 1.722 0.020 1 106 10 10 LYS HD3 H 1.722 0.020 1 107 10 10 LYS HE2 H 2.978 0.020 1 108 10 10 LYS HE3 H 2.978 0.020 1 109 10 10 LYS HG2 H 1.471 0.020 1 110 10 10 LYS HG3 H 1.471 0.020 1 111 10 10 LYS C C 178.775 0.400 1 112 10 10 LYS CA C 59.230 0.400 1 113 10 10 LYS CB C 32.291 0.400 1 114 10 10 LYS CD C 29.182 0.400 1 115 10 10 LYS CE C 41.875 0.400 1 116 10 10 LYS CG C 25.297 0.400 1 117 10 10 LYS N N 121.386 0.400 1 118 11 11 THR H H 8.832 0.020 1 119 11 11 THR HA H 4.393 0.020 1 120 11 11 THR HB H 4.233 0.020 1 121 11 11 THR HG2 H 1.152 0.020 1 122 11 11 THR C C 173.858 0.400 1 123 11 11 THR CA C 61.700 0.400 1 124 11 11 THR CB C 69.592 0.400 1 125 11 11 THR CG2 C 21.905 0.400 1 126 11 11 THR N N 108.541 0.400 1 127 12 12 LEU H H 7.331 0.020 1 128 12 12 LEU HA H 4.452 0.020 1 129 12 12 LEU HB2 H 1.423 0.020 2 130 12 12 LEU HB3 H 1.529 0.020 2 131 12 12 LEU HD1 H 0.904 0.020 2 132 12 12 LEU HD2 H 0.814 0.020 2 133 12 12 LEU HG H 1.425 0.020 1 134 12 12 LEU C C 173.369 0.400 1 135 12 12 LEU CA C 55.086 0.400 1 136 12 12 LEU CB C 43.429 0.400 1 137 12 12 LEU CD1 C 24.261 0.400 1 138 12 12 LEU CD2 C 25.556 0.400 1 139 12 12 LEU CG C 27.628 0.400 1 140 12 12 LEU N N 125.183 0.400 1 141 13 13 LYS H H 8.131 0.020 1 142 13 13 LYS HA H 5.142 0.020 1 143 13 13 LYS HB2 H 1.750 0.020 2 144 13 13 LYS HB3 H 1.916 0.020 2 145 13 13 LYS HD2 H 1.690 0.020 2 146 13 13 LYS HD3 H 1.774 0.020 2 147 13 13 LYS HE2 H 2.933 0.020 2 148 13 13 LYS HE3 H 3.020 0.020 2 149 13 13 LYS HG2 H 1.472 0.020 1 150 13 13 LYS HG3 H 1.472 0.020 1 151 13 13 LYS C C 176.387 0.400 1 152 13 13 LYS CA C 53.791 0.400 1 153 13 13 LYS CB C 34.857 0.400 1 154 13 13 LYS CD C 29.158 0.400 1 155 13 13 LYS CE C 42.393 0.400 1 156 13 13 LYS CG C 25.273 0.400 1 157 13 13 LYS N N 123.936 0.400 1 158 14 14 GLY H H 8.432 0.020 1 159 14 14 GLY HA2 H 4.295 0.020 2 160 14 14 GLY HA3 H 4.166 0.020 2 161 14 14 GLY C C 171.307 0.400 1 162 14 14 GLY CA C 44.983 0.400 1 163 14 14 GLY N N 109.448 0.400 1 164 15 15 GLU H H 8.407 0.020 1 165 15 15 GLU HA H 5.615 0.020 1 166 15 15 GLU HB2 H 1.937 0.020 2 167 15 15 GLU HB3 H 2.039 0.020 2 168 15 15 GLU HG2 H 2.152 0.020 1 169 15 15 GLU HG3 H 2.152 0.020 1 170 15 15 GLU C C 175.310 0.400 1 171 15 15 GLU CA C 54.544 0.400 1 172 15 15 GLU CB C 33.821 0.400 1 173 15 15 GLU CG C 35.903 0.400 1 174 15 15 GLU N N 118.684 0.400 1 175 16 16 THR H H 8.777 0.020 1 176 16 16 THR HA H 4.743 0.020 1 177 16 16 THR HB H 3.905 0.020 1 178 16 16 THR HG2 H 0.403 0.020 1 179 16 16 THR C C 172.030 0.400 1 180 16 16 THR CA C 60.500 0.400 1 181 16 16 THR CB C 69.260 0.400 1 182 16 16 THR CG2 C 19.003 0.400 1 183 16 16 THR N N 115.913 0.400 1 184 17 17 THR H H 8.086 0.020 1 185 17 17 THR HA H 5.819 0.020 1 186 17 17 THR HB H 4.311 0.020 1 187 17 17 THR HG2 H 1.196 0.020 1 188 17 17 THR C C 174.092 0.400 1 189 17 17 THR CA C 59.719 0.400 1 190 17 17 THR CB C 73.126 0.400 1 191 17 17 THR CG2 C 21.320 0.400 1 192 17 17 THR N N 111.876 0.400 1 193 18 18 THR H H 8.992 0.020 1 194 18 18 THR HA H 4.670 0.020 1 195 18 18 THR HB H 3.855 0.020 1 196 18 18 THR HG2 H 0.489 0.020 1 197 18 18 THR C C 170.655 0.400 1 198 18 18 THR CA C 62.339 0.400 1 199 18 18 THR CB C 69.779 0.400 1 200 18 18 THR CG2 C 19.080 0.400 1 201 18 18 THR N N 114.685 0.400 1 202 19 19 GLU H H 7.959 0.020 1 203 19 19 GLU HA H 5.181 0.020 1 204 19 19 GLU HB2 H 1.950 0.020 1 205 19 19 GLU HB3 H 1.950 0.020 1 206 19 19 GLU HG2 H 2.064 0.020 2 207 19 19 GLU HG3 H 2.279 0.020 2 208 19 19 GLU C C 175.835 0.400 1 209 19 19 GLU CA C 54.295 0.400 1 210 19 19 GLU CB C 30.218 0.400 1 211 19 19 GLU CG C 35.658 0.400 1 212 19 19 GLU N N 126.141 0.400 1 213 20 20 ALA H H 9.340 0.020 1 214 20 20 ALA HA H 4.953 0.020 1 215 20 20 ALA HB H 1.335 0.020 1 216 20 20 ALA C C 177.606 0.400 1 217 20 20 ALA CA C 50.682 0.400 1 218 20 20 ALA CB C 23.670 0.400 1 219 20 20 ALA N N 127.324 0.400 1 220 21 21 VAL H H 8.500 0.020 1 221 21 21 VAL HA H 4.115 0.020 1 222 21 21 VAL HB H 2.201 0.020 1 223 21 21 VAL HG1 H 1.016 0.020 2 224 21 21 VAL HG2 H 1.001 0.020 2 225 21 21 VAL C C 175.041 0.400 1 226 21 21 VAL CA C 63.361 0.400 1 227 21 21 VAL CB C 31.773 0.400 1 228 21 21 VAL CG1 C 20.634 0.400 1 229 21 21 VAL CG2 C 19.857 0.400 1 230 21 21 VAL N N 115.671 0.400 1 231 22 22 ASP H H 7.340 0.020 1 232 22 22 ASP HA H 4.775 0.020 1 233 22 22 ASP HB2 H 2.982 0.020 2 234 22 22 ASP HB3 H 3.055 0.020 2 235 22 22 ASP C C 174.744 0.400 1 236 22 22 ASP CA C 52.495 0.400 1 237 22 22 ASP CB C 41.875 0.400 1 238 22 22 ASP N N 115.185 0.400 1 239 23 23 ALA H H 8.303 0.020 1 240 23 23 ALA HA H 3.330 0.020 1 241 23 23 ALA HB H 1.192 0.020 1 242 23 23 ALA C C 179.193 0.400 1 243 23 23 ALA CA C 54.544 0.400 1 244 23 23 ALA CB C 17.200 0.400 1 245 23 23 ALA N N 121.393 0.400 1 246 24 24 ALA H H 8.061 0.020 1 247 24 24 ALA HA H 3.971 0.020 1 248 24 24 ALA HB H 1.290 0.020 1 249 24 24 ALA C C 180.907 0.400 1 250 24 24 ALA CA C 54.532 0.400 1 251 24 24 ALA CB C 17.785 0.400 1 252 24 24 ALA N N 120.470 0.400 1 253 25 25 THR H H 8.288 0.020 1 254 25 25 THR HA H 3.712 0.020 1 255 25 25 THR HB H 4.019 0.020 1 256 25 25 THR HG2 H 1.250 0.020 1 257 25 25 THR C C 176.082 0.400 1 258 25 25 THR CA C 66.701 0.400 1 259 25 25 THR CB C 67.701 0.400 1 260 25 25 THR CG2 C 21.152 0.400 1 261 25 25 THR N N 116.392 0.400 1 262 26 26 ALA H H 7.162 0.020 1 263 26 26 ALA HA H 3.082 0.020 1 264 26 26 ALA HB H 0.537 0.020 1 265 26 26 ALA C C 177.074 0.400 1 266 26 26 ALA CA C 54.784 0.400 1 267 26 26 ALA CB C 17.478 0.400 1 268 26 26 ALA N N 123.683 0.400 1 269 27 27 GLU H H 8.339 0.020 1 270 27 27 GLU HA H 2.638 0.020 1 271 27 27 GLU HB2 H 1.850 0.020 2 272 27 27 GLU HB3 H 1.970 0.020 2 273 27 27 GLU HG2 H 1.629 0.020 1 274 27 27 GLU HG3 H 1.629 0.020 1 275 27 27 GLU C C 177.294 0.400 1 276 27 27 GLU CA C 59.453 0.400 1 277 27 27 GLU CB C 29.139 0.400 1 278 27 27 GLU CG C 35.917 0.400 1 279 27 27 GLU N N 116.630 0.400 1 280 28 28 LYS H H 6.955 0.020 1 281 28 28 LYS HA H 3.719 0.020 1 282 28 28 LYS HB2 H 1.847 0.020 1 283 28 28 LYS HB3 H 1.847 0.020 1 284 28 28 LYS HD2 H 1.622 0.020 1 285 28 28 LYS HD3 H 1.622 0.020 1 286 28 28 LYS HE2 H 2.906 0.020 1 287 28 28 LYS HE3 H 2.906 0.020 1 288 28 28 LYS HG2 H 1.339 0.020 2 289 28 28 LYS HG3 H 1.547 0.020 2 290 28 28 LYS C C 179.972 0.400 1 291 28 28 LYS CA C 59.471 0.400 1 292 28 28 LYS CB C 32.291 0.400 1 293 28 28 LYS CD C 29.164 0.400 1 294 28 28 LYS CE C 41.875 0.400 1 295 28 28 LYS CG C 25.026 0.400 1 296 28 28 LYS N N 116.633 0.400 1 297 29 29 VAL H H 7.329 0.020 1 298 29 29 VAL HA H 3.628 0.020 1 299 29 29 VAL HB H 1.773 0.020 1 300 29 29 VAL HG1 H 0.813 0.020 2 301 29 29 VAL HG2 H 0.923 0.020 2 302 29 29 VAL C C 179.795 0.400 1 303 29 29 VAL CA C 65.941 0.400 1 304 29 29 VAL CB C 31.759 0.400 1 305 29 29 VAL CG1 C 20.335 0.400 1 306 29 29 VAL CG2 C 21.656 0.400 1 307 29 29 VAL N N 120.668 0.400 1 308 30 30 PHE H H 8.530 0.020 1 309 30 30 PHE HA H 4.791 0.020 1 310 30 30 PHE HB2 H 2.868 0.020 2 311 30 30 PHE HB3 H 3.350 0.020 2 312 30 30 PHE HD1 H 6.546 0.020 1 313 30 30 PHE HD2 H 6.546 0.020 1 314 30 30 PHE HE1 H 7.095 0.020 1 315 30 30 PHE HE2 H 7.095 0.020 1 316 30 30 PHE HZ H 7.180 0.020 1 317 30 30 PHE C C 178.328 0.400 1 318 30 30 PHE CA C 56.340 0.400 1 319 30 30 PHE CB C 37.430 0.400 1 320 30 30 PHE CD1 C 129.367 0.400 1 321 30 30 PHE CE1 C 130.377 0.400 1 322 30 30 PHE CZ C 130.377 0.400 1 323 30 30 PHE N N 120.668 0.400 1 324 31 31 LYS H H 9.100 0.020 1 325 31 31 LYS HA H 4.189 0.020 1 326 31 31 LYS HB2 H 1.580 0.020 2 327 31 31 LYS HB3 H 1.675 0.020 2 328 31 31 LYS HD2 H 1.065 0.020 2 329 31 31 LYS HD3 H 1.132 0.020 2 330 31 31 LYS HE2 H 1.668 0.020 2 331 31 31 LYS HE3 H 1.911 0.020 2 332 31 31 LYS HG2 H 0.497 0.020 2 333 31 31 LYS HG3 H 0.835 0.020 2 334 31 31 LYS C C 179.561 0.400 1 335 31 31 LYS CA C 59.730 0.400 1 336 31 31 LYS CB C 31.507 0.400 1 337 31 31 LYS CD C 28.923 0.400 1 338 31 31 LYS CE C 41.098 0.400 1 339 31 31 LYS CG C 25.700 0.400 1 340 31 31 LYS N N 122.805 0.400 1 341 32 32 GLN H H 7.443 0.020 1 342 32 32 GLN HA H 4.060 0.020 1 343 32 32 GLN HB2 H 2.245 0.020 1 344 32 32 GLN HB3 H 2.245 0.020 1 345 32 32 GLN HG2 H 2.450 0.020 1 346 32 32 GLN HG3 H 2.450 0.020 1 347 32 32 GLN C C 177.046 0.400 1 348 32 32 GLN CA C 58.658 0.400 1 349 32 32 GLN CB C 28.122 0.400 1 350 32 32 GLN CG C 33.255 0.400 1 351 32 32 GLN N N 119.684 0.400 1 352 33 33 TYR H H 8.274 0.020 1 353 33 33 TYR HA H 4.260 0.020 1 354 33 33 TYR HB2 H 3.313 0.020 1 355 33 33 TYR HB3 H 3.313 0.020 1 356 33 33 TYR HD1 H 6.996 0.020 1 357 33 33 TYR HD2 H 6.996 0.020 1 358 33 33 TYR HE1 H 6.752 0.020 1 359 33 33 TYR HE2 H 6.752 0.020 1 360 33 33 TYR C C 179.030 0.400 1 361 33 33 TYR CA C 61.773 0.400 1 362 33 33 TYR CB C 38.453 0.400 1 363 33 33 TYR CD1 C 132.901 0.400 1 364 33 33 TYR CE1 C 117.754 0.400 1 365 33 33 TYR N N 121.148 0.400 1 366 34 34 ALA H H 9.207 0.020 1 367 34 34 ALA HA H 3.818 0.020 1 368 34 34 ALA HB H 1.874 0.020 1 369 34 34 ALA C C 179.278 0.400 1 370 34 34 ALA CA C 56.074 0.400 1 371 34 34 ALA CB C 17.734 0.400 1 372 34 34 ALA N N 122.585 0.400 1 373 35 35 ASN H H 8.254 0.020 1 374 35 35 ASN HA H 4.456 0.020 1 375 35 35 ASN HB2 H 2.959 0.020 1 376 35 35 ASN HB3 H 2.959 0.020 1 377 35 35 ASN C C 179.335 0.400 1 378 35 35 ASN CA C 56.899 0.400 1 379 35 35 ASN CB C 38.742 0.400 1 380 35 35 ASN N N 117.596 0.400 1 381 36 36 ASP H H 8.953 0.020 1 382 36 36 ASP HA H 4.376 0.020 1 383 36 36 ASP HB2 H 2.581 0.020 2 384 36 36 ASP HB3 H 2.743 0.020 2 385 36 36 ASP C C 177.110 0.400 1 386 36 36 ASP CA C 56.899 0.400 1 387 36 36 ASP CB C 39.779 0.400 1 388 36 36 ASP N N 121.388 0.400 1 389 37 37 ASN H H 7.401 0.020 1 390 37 37 ASN HA H 4.605 0.020 1 391 37 37 ASN HB2 H 2.131 0.020 2 392 37 37 ASN HB3 H 2.708 0.020 2 393 37 37 ASN C C 174.007 0.400 1 394 37 37 ASN CA C 53.791 0.400 1 395 37 37 ASN CB C 40.044 0.400 1 396 37 37 ASN N N 115.433 0.400 1 397 38 38 GLY H H 7.812 0.020 1 398 38 38 GLY HA2 H 3.937 0.020 1 399 38 38 GLY HA3 H 3.937 0.020 1 400 38 38 GLY C C 174.163 0.400 1 401 38 38 GLY CA C 46.700 0.400 1 402 38 38 GLY N N 108.065 0.400 1 403 39 39 VAL H H 8.129 0.020 1 404 39 39 VAL HA H 4.165 0.020 1 405 39 39 VAL HB H 1.762 0.020 1 406 39 39 VAL HG1 H 0.664 0.020 2 407 39 39 VAL HG2 H 0.837 0.020 2 408 39 39 VAL C C 173.752 0.400 1 409 39 39 VAL CA C 61.821 0.400 1 410 39 39 VAL CB C 33.211 0.400 1 411 39 39 VAL CG1 C 21.371 0.400 1 412 39 39 VAL CG2 C 21.634 0.400 1 413 39 39 VAL N N 120.909 0.400 1 414 40 40 ASP H H 8.509 0.020 1 415 40 40 ASP HA H 4.898 0.020 1 416 40 40 ASP HB2 H 2.617 0.020 2 417 40 40 ASP HB3 H 2.748 0.020 2 418 40 40 ASP C C 174.595 0.400 1 419 40 40 ASP CA C 52.495 0.400 1 420 40 40 ASP CB C 42.911 0.400 1 421 40 40 ASP N N 127.464 0.400 1 422 41 41 GLY H H 7.909 0.020 1 423 41 41 GLY HA2 H 4.257 0.020 2 424 41 41 GLY HA3 H 3.733 0.020 2 425 41 41 GLY C C 171.881 0.400 1 426 41 41 GLY CA C 45.194 0.400 1 427 41 41 GLY N N 107.369 0.400 1 428 42 42 GLU H H 8.046 0.020 1 429 42 42 GLU HA H 4.698 0.020 1 430 42 42 GLU HB2 H 1.986 0.020 2 431 42 42 GLU HB3 H 2.082 0.020 2 432 42 42 GLU HG2 H 2.267 0.020 2 433 42 42 GLU HG3 H 2.367 0.020 2 434 42 42 GLU C C 176.940 0.400 1 435 42 42 GLU CA C 55.604 0.400 1 436 42 42 GLU CB C 31.400 0.400 1 437 42 42 GLU CG C 36.435 0.400 1 438 42 42 GLU N N 120.668 0.400 1 439 43 43 TRP H H 9.333 0.020 1 440 43 43 TRP HA H 5.372 0.020 1 441 43 43 TRP HB2 H 3.175 0.020 2 442 43 43 TRP HB3 H 3.389 0.020 2 443 43 43 TRP HD1 H 7.576 0.020 1 444 43 43 TRP HE1 H 10.530 0.020 1 445 43 43 TRP HE3 H 7.638 0.020 1 446 43 43 TRP HH2 H 6.767 0.020 1 447 43 43 TRP HZ2 H 7.371 0.020 1 448 43 43 TRP HZ3 H 6.646 0.020 1 449 43 43 TRP C C 177.011 0.400 1 450 43 43 TRP CA C 57.640 0.400 1 451 43 43 TRP CB C 30.441 0.400 1 452 43 43 TRP CD1 C 126.843 0.400 1 453 43 43 TRP CE3 C 119.269 0.400 1 454 43 43 TRP CH2 C 122.803 0.400 1 455 43 43 TRP CZ2 C 114.220 0.400 1 456 43 43 TRP CZ3 C 120.279 0.400 1 457 43 43 TRP N N 128.183 0.400 1 458 43 43 TRP NE1 N 130.654 0.400 1 459 44 44 THR H H 9.277 0.020 1 460 44 44 THR HA H 4.835 0.020 1 461 44 44 THR HB H 4.246 0.020 1 462 44 44 THR HG2 H 1.193 0.020 1 463 44 44 THR C C 172.717 0.400 1 464 44 44 THR CA C 60.525 0.400 1 465 44 44 THR CB C 72.182 0.400 1 466 44 44 THR CG2 C 21.670 0.400 1 467 44 44 THR N N 114.685 0.400 1 468 45 45 TYR H H 8.582 0.020 1 469 45 45 TYR HA H 4.983 0.020 1 470 45 45 TYR HB2 H 2.499 0.020 2 471 45 45 TYR HB3 H 2.878 0.020 2 472 45 45 TYR HD1 H 7.823 0.020 1 473 45 45 TYR HD2 H 7.823 0.020 1 474 45 45 TYR HE1 H 6.387 0.020 1 475 45 45 TYR HE2 H 6.387 0.020 1 476 45 45 TYR C C 173.192 0.400 1 477 45 45 TYR CA C 56.854 0.400 1 478 45 45 TYR CB C 41.339 0.400 1 479 45 45 TYR CD1 C 131.892 0.400 1 480 45 45 TYR CE1 C 117.249 0.400 1 481 45 45 TYR N N 120.667 0.400 1 482 46 46 ASP H H 7.636 0.020 1 483 46 46 ASP HA H 4.603 0.020 1 484 46 46 ASP HB2 H 2.282 0.020 2 485 46 46 ASP HB3 H 2.624 0.020 2 486 46 46 ASP C C 174.588 0.400 1 487 46 46 ASP CA C 51.718 0.400 1 488 46 46 ASP CB C 42.893 0.400 1 489 46 46 ASP N N 128.433 0.400 1 490 47 47 ASP H H 8.587 0.020 1 491 47 47 ASP HA H 4.137 0.020 1 492 47 47 ASP HB2 H 2.547 0.020 2 493 47 47 ASP HB3 H 2.850 0.020 2 494 47 47 ASP C C 178.038 0.400 1 495 47 47 ASP CA C 56.363 0.400 1 496 47 47 ASP CB C 42.016 0.400 1 497 47 47 ASP N N 124.933 0.400 1 498 48 48 ALA H H 8.343 0.020 1 499 48 48 ALA HA H 4.134 0.020 1 500 48 48 ALA HB H 1.512 0.020 1 501 48 48 ALA C C 179.873 0.400 1 502 48 48 ALA CA C 55.086 0.400 1 503 48 48 ALA CB C 18.303 0.400 1 504 48 48 ALA N N 119.934 0.400 1 505 49 49 THR H H 7.015 0.020 1 506 49 49 THR HA H 4.423 0.020 1 507 49 49 THR HB H 4.426 0.020 1 508 49 49 THR HG2 H 1.085 0.020 1 509 49 49 THR C C 175.275 0.400 1 510 49 49 THR CA C 60.266 0.400 1 511 49 49 THR CB C 70.000 0.400 1 512 49 49 THR CG2 C 20.375 0.400 1 513 49 49 THR N N 103.197 0.400 1 514 50 50 LYS H H 7.872 0.020 1 515 50 50 LYS HA H 4.195 0.020 1 516 50 50 LYS HB2 H 2.055 0.020 2 517 50 50 LYS HB3 H 2.106 0.020 2 518 50 50 LYS HD2 H 1.445 0.020 2 519 50 50 LYS HD3 H 1.729 0.020 2 520 50 50 LYS HE2 H 2.982 0.020 2 521 50 50 LYS HE3 H 3.109 0.020 2 522 50 50 LYS HG2 H 1.255 0.020 2 523 50 50 LYS HG3 H 1.434 0.020 2 524 50 50 LYS C C 175.048 0.400 1 525 50 50 LYS CA C 56.381 0.400 1 526 50 50 LYS CB C 29.174 0.400 1 527 50 50 LYS CD C 28.405 0.400 1 528 50 50 LYS CE C 42.652 0.400 1 529 50 50 LYS CG C 24.400 0.400 1 530 50 50 LYS N N 123.184 0.400 1 531 51 51 THR H H 7.391 0.020 1 532 51 51 THR HA H 5.508 0.020 1 533 51 51 THR HB H 3.773 0.020 1 534 51 51 THR HG2 H 1.003 0.020 1 535 51 51 THR C C 174.843 0.400 1 536 51 51 THR CA C 62.051 0.400 1 537 51 51 THR CB C 71.894 0.400 1 538 51 51 THR CG2 C 20.593 0.400 1 539 51 51 THR N N 111.156 0.400 1 540 52 52 PHE H H 10.393 0.020 1 541 52 52 PHE HA H 5.687 0.020 1 542 52 52 PHE HB2 H 3.238 0.020 2 543 52 52 PHE HB3 H 3.302 0.020 2 544 52 52 PHE HD1 H 7.820 0.020 1 545 52 52 PHE HD2 H 7.820 0.020 1 546 52 52 PHE HE1 H 7.159 0.020 1 547 52 52 PHE HE2 H 7.159 0.020 1 548 52 52 PHE HZ H 7.002 0.020 1 549 52 52 PHE C C 174.566 0.400 1 550 52 52 PHE CA C 57.113 0.400 1 551 52 52 PHE CB C 42.548 0.400 1 552 52 52 PHE CD1 C 131.892 0.400 1 553 52 52 PHE CE1 C 131.387 0.400 1 554 52 52 PHE CZ C 130.882 0.400 1 555 52 52 PHE N N 130.896 0.400 1 556 53 53 THR H H 9.118 0.020 1 557 53 53 THR HA H 5.224 0.020 1 558 53 53 THR HB H 3.832 0.020 1 559 53 53 THR HG2 H 0.966 0.020 1 560 53 53 THR C C 172.618 0.400 1 561 53 53 THR CA C 61.517 0.400 1 562 53 53 THR CB C 70.887 0.400 1 563 53 53 THR CG2 C 20.302 0.400 1 564 53 53 THR N N 117.108 0.400 1 565 54 54 VAL H H 8.203 0.020 1 566 54 54 VAL HA H 4.491 0.020 1 567 54 54 VAL HB H -0.273 0.020 1 568 54 54 VAL HG1 H -0.307 0.020 2 569 54 54 VAL HG2 H 0.388 0.020 2 570 54 54 VAL C C 173.263 0.400 1 571 54 54 VAL CA C 57.810 0.400 1 572 54 54 VAL CB C 32.291 0.400 1 573 54 54 VAL CG1 C 20.591 0.400 1 574 54 54 VAL CG2 C 19.558 0.400 1 575 54 54 VAL N N 123.283 0.400 1 576 55 55 THR H H 8.356 0.020 1 577 55 55 THR HA H 4.708 0.020 1 578 55 55 THR HB H 3.840 0.020 1 579 55 55 THR HG2 H 1.176 0.020 1 580 55 55 THR C C 174.496 0.400 1 581 55 55 THR CA C 60.755 0.400 1 582 55 55 THR CB C 70.300 0.400 1 583 55 55 THR CG2 C 21.123 0.400 1 584 55 55 THR N N 123.281 0.400 1 585 56 56 GLU H H 8.139 0.020 1 586 56 56 GLU HA H 4.581 0.020 1 587 56 56 GLU HB2 H 2.030 0.020 2 588 56 56 GLU HB3 H 2.189 0.020 2 589 56 56 GLU HG2 H 2.424 0.020 1 590 56 56 GLU HG3 H 2.424 0.020 1 591 56 56 GLU C C 176.068 0.400 1 592 56 56 GLU CA C 56.098 0.400 1 593 56 56 GLU CB C 31.924 0.400 1 594 56 56 GLU CG C 36.651 0.400 1 595 56 56 GLU N N 128.933 0.400 1 596 57 57 GLY H H 8.788 0.020 1 597 57 57 GLY HA2 H 4.113 0.020 2 598 57 57 GLY HA3 H 3.930 0.020 2 599 57 57 GLY C C 173.645 0.400 1 600 57 57 GLY CA C 44.911 0.400 1 601 57 57 GLY N N 112.353 0.400 1 602 58 58 SER H H 8.347 0.020 1 603 58 58 SER HA H 4.493 0.020 1 604 58 58 SER HB2 H 3.839 0.020 2 605 58 58 SER HB3 H 3.876 0.020 2 606 58 58 SER C C 174.375 0.400 1 607 58 58 SER CA C 57.935 0.400 1 608 58 58 SER CB C 63.634 0.400 1 609 58 58 SER N N 115.185 0.400 1 610 59 59 ASP H H 8.526 0.020 1 611 59 59 ASP HA H 4.634 0.020 1 612 59 59 ASP HB2 H 2.615 0.020 2 613 59 59 ASP HB3 H 2.712 0.020 2 614 59 59 ASP C C 176.118 0.400 1 615 59 59 ASP CA C 54.309 0.400 1 616 59 59 ASP CB C 41.098 0.400 1 617 59 59 ASP N N 122.587 0.400 1 618 60 60 GLU H H 8.387 0.020 1 619 60 60 GLU HA H 4.257 0.020 1 620 60 60 GLU HB2 H 1.913 0.020 2 621 60 60 GLU HB3 H 2.015 0.020 2 622 60 60 GLU HG2 H 2.213 0.020 2 623 60 60 GLU HG3 H 2.262 0.020 2 624 60 60 GLU C C 176.260 0.400 1 625 60 60 GLU CA C 56.323 0.400 1 626 60 60 GLU CB C 30.146 0.400 1 627 60 60 GLU CG C 36.104 0.400 1 628 60 60 GLU N N 121.386 0.400 1 629 61 61 LYS H H 8.337 0.020 1 630 61 61 LYS HA H 4.313 0.020 1 631 61 61 LYS HB2 H 1.756 0.020 1 632 61 61 LYS HB3 H 1.756 0.020 1 633 61 61 LYS HD2 H 1.656 0.020 1 634 61 61 LYS HD3 H 1.656 0.020 1 635 61 61 LYS HE2 H 2.985 0.020 1 636 61 61 LYS HE3 H 2.985 0.020 1 637 61 61 LYS HG2 H 1.376 0.020 2 638 61 61 LYS HG3 H 1.421 0.020 2 639 61 61 LYS C C 176.175 0.400 1 640 61 61 LYS CA C 56.122 0.400 1 641 61 61 LYS CB C 32.728 0.400 1 642 61 61 LYS CD C 28.923 0.400 1 643 61 61 LYS CE C 41.875 0.400 1 644 61 61 LYS CG C 24.779 0.400 1 645 61 61 LYS N N 122.684 0.400 1 646 62 62 ILE H H 8.193 0.020 1 647 62 62 ILE HA H 4.069 0.020 1 648 62 62 ILE HB H 1.644 0.020 1 649 62 62 ILE HD1 H 0.798 0.020 1 650 62 62 ILE HG12 H 1.031 0.020 2 651 62 62 ILE HG13 H 1.429 0.020 2 652 62 62 ILE HG2 H 0.532 0.020 1 653 62 62 ILE C C 175.750 0.400 1 654 62 62 ILE CA C 60.784 0.400 1 655 62 62 ILE CB C 38.748 0.400 1 656 62 62 ILE CD1 C 13.098 0.400 1 657 62 62 ILE CG1 C 27.311 0.400 1 658 62 62 ILE CG2 C 17.231 0.400 1 659 62 62 ILE N N 123.434 0.400 1 660 63 63 THR H H 8.116 0.020 1 661 63 63 THR HA H 4.290 0.020 1 662 63 63 THR HB H 4.012 0.020 1 663 63 63 THR HG2 H 1.072 0.020 1 664 63 63 THR C C 173.234 0.400 1 665 63 63 THR CA C 61.015 0.400 1 666 63 63 THR CB C 69.592 0.400 1 667 63 63 THR CG2 C 21.411 0.400 1 668 63 63 THR N N 120.429 0.400 1 669 64 64 PHE H H 8.286 0.020 1 670 64 64 PHE HA H 4.297 0.020 1 671 64 64 PHE HB2 H 2.672 0.020 2 672 64 64 PHE HB3 H 2.810 0.020 2 673 64 64 PHE HD1 H 6.997 0.020 1 674 64 64 PHE HD2 H 6.997 0.020 1 675 64 64 PHE HE1 H 6.907 0.020 1 676 64 64 PHE HE2 H 6.907 0.020 1 677 64 64 PHE HZ H 6.915 0.020 1 678 64 64 PHE C C 173.752 0.400 1 679 64 64 PHE CA C 55.795 0.400 1 680 64 64 PHE CB C 39.496 0.400 1 681 64 64 PHE CD1 C 131.387 0.400 1 682 64 64 PHE CE1 C 130.882 0.400 1 683 64 64 PHE CZ C 129.367 0.400 1 684 64 64 PHE N N 123.933 0.400 1 685 65 65 PRO HA H 4.148 0.020 1 686 65 65 PRO HB2 H 1.666 0.020 2 687 65 65 PRO HB3 H 1.952 0.020 2 688 65 65 PRO HD2 H 2.586 0.020 2 689 65 65 PRO HD3 H 2.856 0.020 2 690 65 65 PRO HG2 H 1.295 0.020 1 691 65 65 PRO HG3 H 1.295 0.020 1 692 65 65 PRO C C 176.812 0.400 1 693 65 65 PRO CA C 62.598 0.400 1 694 65 65 PRO CB C 31.737 0.400 1 695 65 65 PRO CD C 49.872 0.400 1 696 65 65 PRO CG C 27.074 0.400 1 697 66 66 SER H H 8.185 0.020 1 698 66 66 SER HA H 4.081 0.020 1 699 66 66 SER HB2 H 3.764 0.020 2 700 66 66 SER HB3 H 3.828 0.020 2 701 66 66 SER C C 174.283 0.400 1 702 66 66 SER CA C 59.748 0.400 1 703 66 66 SER CB C 63.116 0.400 1 704 66 66 SER N N 114.683 0.400 1 705 67 67 ASP H H 8.274 0.020 1 706 67 67 ASP HA H 4.519 0.020 1 707 67 67 ASP HB2 H 2.613 0.020 2 708 67 67 ASP HB3 H 2.733 0.020 2 709 67 67 ASP C C 175.346 0.400 1 710 67 67 ASP CA C 53.791 0.400 1 711 67 67 ASP CB C 40.062 0.400 1 712 67 67 ASP N N 117.810 0.400 1 713 68 68 ILE H H 7.393 0.020 1 714 68 68 ILE HA H 4.203 0.020 1 715 68 68 ILE HB H 1.760 0.020 1 716 68 68 ILE HD1 H 0.786 0.020 1 717 68 68 ILE HG12 H 1.179 0.020 2 718 68 68 ILE HG13 H 1.299 0.020 2 719 68 68 ILE HG2 H 0.752 0.020 1 720 68 68 ILE C C 174.070 0.400 1 721 68 68 ILE CA C 59.230 0.400 1 722 68 68 ILE CB C 38.981 0.400 1 723 68 68 ILE CD1 C 12.288 0.400 1 724 68 68 ILE CG1 C 27.345 0.400 1 725 68 68 ILE CG2 C 16.960 0.400 1 726 68 68 ILE N N 119.434 0.400 1 727 69 69 ASP H H 8.381 0.020 1 728 69 69 ASP HA H 4.801 0.020 1 729 69 69 ASP HB2 H 2.630 0.020 2 730 69 69 ASP HB3 H 2.799 0.020 2 731 69 69 ASP C C 175.509 0.400 1 732 69 69 ASP CA C 51.159 0.400 1 733 69 69 ASP CB C 41.802 0.400 1 734 69 69 ASP N N 127.433 0.400 1 735 70 70 PRO HA H 3.780 0.020 1 736 70 70 PRO HB2 H 1.956 0.020 2 737 70 70 PRO HB3 H 1.999 0.020 2 738 70 70 PRO HD2 H 3.814 0.020 2 739 70 70 PRO HD3 H 3.964 0.020 2 740 70 70 PRO HG2 H 1.639 0.020 2 741 70 70 PRO HG3 H 2.040 0.020 2 742 70 70 PRO C C 177.025 0.400 1 743 70 70 PRO CA C 64.851 0.400 1 744 70 70 PRO CB C 31.960 0.400 1 745 70 70 PRO CD C 50.869 0.400 1 746 70 70 PRO CG C 27.297 0.400 1 747 71 71 GLN H H 8.263 0.020 1 748 71 71 GLN HA H 4.120 0.020 1 749 71 71 GLN HB2 H 2.093 0.020 1 750 71 71 GLN HB3 H 2.093 0.020 1 751 71 71 GLN HE21 H 6.851 0.020 2 752 71 71 GLN HE22 H 7.796 0.020 2 753 71 71 GLN HG2 H 2.402 0.020 2 754 71 71 GLN HG3 H 2.458 0.020 2 755 71 71 GLN C C 178.477 0.400 1 756 71 71 GLN CA C 58.390 0.400 1 757 71 71 GLN CB C 28.333 0.400 1 758 71 71 GLN CG C 34.347 0.400 1 759 71 71 GLN N N 114.435 0.400 1 760 71 71 GLN NE2 N 112.579 0.400 1 761 72 72 VAL H H 7.347 0.020 1 762 72 72 VAL HA H 3.770 0.020 1 763 72 72 VAL HB H 2.235 0.020 1 764 72 72 VAL HG1 H 0.943 0.020 2 765 72 72 VAL HG2 H 1.015 0.020 2 766 72 72 VAL C C 178.342 0.400 1 767 72 72 VAL CA C 64.819 0.400 1 768 72 72 VAL CB C 31.930 0.400 1 769 72 72 VAL CG1 C 20.893 0.400 1 770 72 72 VAL CG2 C 22.164 0.400 1 771 72 72 VAL N N 117.934 0.400 1 772 73 73 PHE H H 7.829 0.020 1 773 73 73 PHE HA H 3.956 0.020 1 774 73 73 PHE HB2 H 2.793 0.020 2 775 73 73 PHE HB3 H 2.852 0.020 2 776 73 73 PHE HD1 H 6.551 0.020 1 777 73 73 PHE HD2 H 6.551 0.020 1 778 73 73 PHE HE1 H 7.171 0.020 1 779 73 73 PHE HE2 H 7.171 0.020 1 780 73 73 PHE HZ H 7.182 0.020 1 781 73 73 PHE C C 176.741 0.400 1 782 73 73 PHE CA C 61.255 0.400 1 783 73 73 PHE CB C 39.504 0.400 1 784 73 73 PHE CD1 C 131.387 0.400 1 785 73 73 PHE CE1 C 131.387 0.400 1 786 73 73 PHE CZ C 129.367 0.400 1 787 73 73 PHE N N 120.419 0.400 1 788 74 74 TYR H H 8.073 0.020 1 789 74 74 TYR HA H 4.294 0.020 1 790 74 74 TYR HB2 H 2.920 0.020 2 791 74 74 TYR HB3 H 3.311 0.020 2 792 74 74 TYR HD1 H 7.335 0.020 1 793 74 74 TYR HD2 H 7.335 0.020 1 794 74 74 TYR HE1 H 6.969 0.020 1 795 74 74 TYR HE2 H 6.969 0.020 1 796 74 74 TYR C C 176.416 0.400 1 797 74 74 TYR CA C 60.230 0.400 1 798 74 74 TYR CB C 37.176 0.400 1 799 74 74 TYR CD1 C 133.407 0.400 1 800 74 74 TYR CE1 C 117.754 0.400 1 801 74 74 TYR N N 113.185 0.400 1 802 75 75 GLU H H 7.420 0.020 1 803 75 75 GLU HA H 4.314 0.020 1 804 75 75 GLU HB2 H 2.013 0.020 2 805 75 75 GLU HB3 H 2.188 0.020 2 806 75 75 GLU HG2 H 2.288 0.020 2 807 75 75 GLU HG3 H 2.513 0.020 2 808 75 75 GLU C C 177.308 0.400 1 809 75 75 GLU CA C 56.122 0.400 1 810 75 75 GLU CB C 30.128 0.400 1 811 75 75 GLU CG C 36.687 0.400 1 812 75 75 GLU N N 116.866 0.400 1 813 76 76 LEU H H 7.413 0.020 1 814 76 76 LEU HA H 4.405 0.020 1 815 76 76 LEU HB2 H 1.026 0.020 2 816 76 76 LEU HB3 H 1.698 0.020 2 817 76 76 LEU HD1 H 0.695 0.020 2 818 76 76 LEU HD2 H 0.845 0.020 2 819 76 76 LEU HG H 1.969 0.020 1 820 76 76 LEU C C 174.786 0.400 1 821 76 76 LEU CA C 53.248 0.400 1 822 76 76 LEU CB C 40.562 0.400 1 823 76 76 LEU CD1 C 26.045 0.400 1 824 76 76 LEU CD2 C 22.102 0.400 1 825 76 76 LEU CG C 25.801 0.400 1 826 76 76 LEU N N 121.684 0.400 1 827 77 77 PRO HA H 4.424 0.020 1 828 77 77 PRO HB2 H 1.758 0.020 2 829 77 77 PRO HB3 H 2.544 0.020 2 830 77 77 PRO HD2 H 3.324 0.020 2 831 77 77 PRO HD3 H 3.978 0.020 2 832 77 77 PRO HG2 H 2.147 0.020 1 833 77 77 PRO HG3 H 2.147 0.020 1 834 77 77 PRO C C 177.776 0.400 1 835 77 77 PRO CA C 62.781 0.400 1 836 77 77 PRO CB C 32.257 0.400 1 837 77 77 PRO CD C 50.131 0.400 1 838 77 77 PRO CG C 28.136 0.400 1 839 78 78 GLU H H 9.000 0.020 1 840 78 78 GLU HA H 3.719 0.020 1 841 78 78 GLU HB2 H 1.985 0.020 2 842 78 78 GLU HB3 H 2.079 0.020 2 843 78 78 GLU HG2 H 2.238 0.020 2 844 78 78 GLU HG3 H 2.340 0.020 2 845 78 78 GLU C C 177.896 0.400 1 846 78 78 GLU CA C 60.237 0.400 1 847 78 78 GLU CB C 29.441 0.400 1 848 78 78 GLU CG C 36.435 0.400 1 849 78 78 GLU N N 125.902 0.400 1 850 79 79 ALA H H 8.910 0.020 1 851 79 79 ALA HA H 4.034 0.020 1 852 79 79 ALA HB H 1.406 0.020 1 853 79 79 ALA C C 180.553 0.400 1 854 79 79 ALA CA C 55.050 0.400 1 855 79 79 ALA CB C 18.279 0.400 1 856 79 79 ALA N N 118.434 0.400 1 857 80 80 VAL H H 7.005 0.020 1 858 80 80 VAL HA H 3.719 0.020 1 859 80 80 VAL HB H 2.036 0.020 1 860 80 80 VAL HG1 H 0.953 0.020 2 861 80 80 VAL HG2 H 0.978 0.020 2 862 80 80 VAL C C 177.655 0.400 1 863 80 80 VAL CA C 64.889 0.400 1 864 80 80 VAL CB C 31.749 0.400 1 865 80 80 VAL CG1 C 21.893 0.400 1 866 80 80 VAL CG2 C 21.881 0.400 1 867 80 80 VAL N N 117.684 0.400 1 868 81 81 GLN H H 7.853 0.020 1 869 81 81 GLN HA H 3.470 0.020 1 870 81 81 GLN HB2 H 1.869 0.020 2 871 81 81 GLN HB3 H 2.072 0.020 2 872 81 81 GLN HE21 H 6.595 0.020 2 873 81 81 GLN HE22 H 7.297 0.020 2 874 81 81 GLN HG2 H 0.947 0.020 2 875 81 81 GLN HG3 H 1.856 0.020 2 876 81 81 GLN C C 178.350 0.400 1 877 81 81 GLN CA C 59.450 0.400 1 878 81 81 GLN CB C 28.384 0.400 1 879 81 81 GLN CG C 33.041 0.400 1 880 81 81 GLN N N 118.434 0.400 1 881 81 81 GLN NE2 N 111.628 0.400 1 882 82 82 LYS H H 7.961 0.020 1 883 82 82 LYS HA H 3.905 0.020 1 884 82 82 LYS HB2 H 1.855 0.020 1 885 82 82 LYS HB3 H 1.855 0.020 1 886 82 82 LYS HD2 H 1.663 0.020 1 887 82 82 LYS HD3 H 1.663 0.020 1 888 82 82 LYS HE2 H 2.969 0.020 1 889 82 82 LYS HE3 H 2.969 0.020 1 890 82 82 LYS HG2 H 1.473 0.020 2 891 82 82 LYS HG3 H 1.661 0.020 2 892 82 82 LYS C C 179.512 0.400 1 893 82 82 LYS CA C 59.404 0.400 1 894 82 82 LYS CB C 32.550 0.400 1 895 82 82 LYS CD C 29.441 0.400 1 896 82 82 LYS CE C 41.875 0.400 1 897 82 82 LYS CG C 25.497 0.400 1 898 82 82 LYS N N 114.435 0.400 1 899 83 83 GLU H H 7.484 0.020 1 900 83 83 GLU HA H 4.077 0.020 1 901 83 83 GLU HB2 H 2.109 0.020 2 902 83 83 GLU HB3 H 2.163 0.020 2 903 83 83 GLU HG2 H 2.256 0.020 2 904 83 83 GLU HG3 H 2.403 0.020 2 905 83 83 GLU C C 179.186 0.400 1 906 83 83 GLU CA C 58.911 0.400 1 907 83 83 GLU CB C 29.628 0.400 1 908 83 83 GLU CG C 35.845 0.400 1 909 83 83 GLU N N 120.428 0.400 1 910 84 84 LEU H H 8.199 0.020 1 911 84 84 LEU HA H 3.715 0.020 1 912 84 84 LEU HB2 H 0.545 0.020 2 913 84 84 LEU HB3 H 1.650 0.020 2 914 84 84 LEU HD1 H 0.771 0.020 2 915 84 84 LEU HD2 H 0.759 0.020 2 916 84 84 LEU HG H 1.601 0.020 1 917 84 84 LEU C C 178.052 0.400 1 918 84 84 LEU CA C 57.658 0.400 1 919 84 84 LEU CB C 41.068 0.400 1 920 84 84 LEU CD1 C 22.670 0.400 1 921 84 84 LEU CD2 C 26.285 0.400 1 922 84 84 LEU CG C 26.841 0.400 1 923 84 84 LEU N N 121.434 0.400 1 924 85 85 LEU H H 8.076 0.020 1 925 85 85 LEU HA H 3.888 0.020 1 926 85 85 LEU HB2 H 1.488 0.020 2 927 85 85 LEU HB3 H 1.829 0.020 2 928 85 85 LEU HD1 H 0.885 0.020 2 929 85 85 LEU HD2 H 0.978 0.020 2 930 85 85 LEU HG H 1.932 0.020 1 931 85 85 LEU C C 179.540 0.400 1 932 85 85 LEU CA C 57.906 0.400 1 933 85 85 LEU CB C 41.598 0.400 1 934 85 85 LEU CD1 C 23.442 0.400 1 935 85 85 LEU CD2 C 25.538 0.400 1 936 85 85 LEU CG C 27.009 0.400 1 937 85 85 LEU N N 117.104 0.400 1 938 86 86 ALA H H 7.667 0.020 1 939 86 86 ALA HA H 4.108 0.020 1 940 86 86 ALA HB H 1.487 0.020 1 941 86 86 ALA C C 180.426 0.400 1 942 86 86 ALA CA C 54.803 0.400 1 943 86 86 ALA CB C 17.761 0.400 1 944 86 86 ALA N N 119.934 0.400 1 945 87 87 GLU H H 7.892 0.020 1 946 87 87 GLU HA H 4.153 0.020 1 947 87 87 GLU HB2 H 2.059 0.020 1 948 87 87 GLU HB3 H 2.059 0.020 1 949 87 87 GLU HG2 H 2.290 0.020 1 950 87 87 GLU HG3 H 2.290 0.020 1 951 87 87 GLU C C 179.214 0.400 1 952 87 87 GLU CA C 58.658 0.400 1 953 87 87 GLU CB C 28.851 0.400 1 954 87 87 GLU CG C 35.327 0.400 1 955 87 87 GLU N N 120.429 0.400 1 956 88 88 TRP H H 8.621 0.020 1 957 88 88 TRP HA H 4.603 0.020 1 958 88 88 TRP HB2 H 3.238 0.020 1 959 88 88 TRP HB3 H 3.238 0.020 1 960 88 88 TRP HD1 H 7.084 0.020 1 961 88 88 TRP HE1 H 10.117 0.020 1 962 88 88 TRP HE3 H 7.295 0.020 1 963 88 88 TRP HH2 H 6.791 0.020 1 964 88 88 TRP HZ2 H 7.282 0.020 1 965 88 88 TRP HZ3 H 6.434 0.020 1 966 88 88 TRP C C 178.768 0.400 1 967 88 88 TRP CA C 58.151 0.400 1 968 88 88 TRP CB C 28.354 0.400 1 969 88 88 TRP CD1 C 124.318 0.400 1 970 88 88 TRP CE3 C 120.279 0.400 1 971 88 88 TRP CH2 C 123.813 0.400 1 972 88 88 TRP CZ2 C 113.715 0.400 1 973 88 88 TRP CZ3 C 121.296 0.400 1 974 88 88 TRP N N 121.622 0.400 1 975 88 88 TRP NE1 N 128.276 0.400 1 976 89 89 LYS H H 8.058 0.020 1 977 89 89 LYS HA H 4.118 0.020 1 978 89 89 LYS HB2 H 1.928 0.020 1 979 89 89 LYS HB3 H 1.928 0.020 1 980 89 89 LYS HD2 H 1.700 0.020 1 981 89 89 LYS HD3 H 1.700 0.020 1 982 89 89 LYS HE2 H 2.970 0.020 1 983 89 89 LYS HE3 H 2.970 0.020 1 984 89 89 LYS HG2 H 1.442 0.020 2 985 89 89 LYS HG3 H 1.582 0.020 2 986 89 89 LYS C C 178.229 0.400 1 987 89 89 LYS CA C 58.182 0.400 1 988 89 89 LYS CB C 32.250 0.400 1 989 89 89 LYS CD C 29.146 0.400 1 990 89 89 LYS CE C 41.875 0.400 1 991 89 89 LYS CG C 25.283 0.400 1 992 89 89 LYS N N 118.934 0.400 1 993 90 90 ARG H H 7.888 0.020 1 994 90 90 ARG HA H 4.211 0.020 1 995 90 90 ARG HB2 H 1.982 0.020 1 996 90 90 ARG HB3 H 1.982 0.020 1 997 90 90 ARG HD2 H 3.211 0.020 2 998 90 90 ARG HD3 H 3.247 0.020 2 999 90 90 ARG HG2 H 1.660 0.020 2 1000 90 90 ARG HG3 H 1.776 0.020 2 1001 90 90 ARG C C 177.712 0.400 1 1002 90 90 ARG CA C 58.194 0.400 1 1003 90 90 ARG CB C 30.726 0.400 1 1004 90 90 ARG CD C 43.098 0.400 1 1005 90 90 ARG CG C 27.628 0.400 1 1006 90 90 ARG N N 119.184 0.400 1 1007 91 91 THR H H 8.106 0.020 1 1008 91 91 THR HA H 4.361 0.020 1 1009 91 91 THR HB H 4.383 0.020 1 1010 91 91 THR HG2 H 1.284 0.020 1 1011 91 91 THR C C 175.679 0.400 1 1012 91 91 THR CA C 62.574 0.400 1 1013 91 91 THR CB C 70.000 0.400 1 1014 91 91 THR CG2 C 21.387 0.400 1 1015 91 91 THR N N 110.436 0.400 1 1016 92 92 GLY H H 8.160 0.020 1 1017 92 92 GLY HA2 H 4.047 0.020 2 1018 92 92 GLY HA3 H 3.924 0.020 2 1019 92 92 GLY C C 174.581 0.400 1 1020 92 92 GLY CA C 45.760 0.400 1 1021 92 92 GLY N N 110.918 0.400 1 1022 93 93 SER H H 8.221 0.020 1 1023 93 93 SER HA H 4.378 0.020 1 1024 93 93 SER HB2 H 3.757 0.020 2 1025 93 93 SER HB3 H 3.818 0.020 2 1026 93 93 SER C C 174.120 0.400 1 1027 93 93 SER CA C 58.712 0.400 1 1028 93 93 SER CB C 63.634 0.400 1 1029 93 93 SER N N 115.433 0.400 1 1030 94 94 ASP H H 8.343 0.020 1 1031 94 94 ASP HA H 4.548 0.020 1 1032 94 94 ASP HB2 H 2.555 0.020 2 1033 94 94 ASP HB3 H 2.570 0.020 2 1034 94 94 ASP C C 175.842 0.400 1 1035 94 94 ASP CA C 54.309 0.400 1 1036 94 94 ASP CB C 41.098 0.400 1 1037 94 94 ASP N N 121.639 0.400 1 1038 95 95 PHE H H 7.946 0.020 1 1039 95 95 PHE HA H 4.436 0.020 1 1040 95 95 PHE HB2 H 2.906 0.020 1 1041 95 95 PHE HB3 H 2.906 0.020 1 1042 95 95 PHE HD1 H 6.990 0.020 1 1043 95 95 PHE HD2 H 6.990 0.020 1 1044 95 95 PHE HE1 H 7.172 0.020 1 1045 95 95 PHE HE2 H 7.172 0.020 1 1046 95 95 PHE C C 175.261 0.400 1 1047 95 95 PHE CA C 57.911 0.400 1 1048 95 95 PHE CB C 39.491 0.400 1 1049 95 95 PHE CD1 C 131.387 0.400 1 1050 95 95 PHE N N 120.184 0.400 1 1051 96 96 HIS H H 8.158 0.020 1 1052 96 96 HIS HA H 4.523 0.020 1 1053 96 96 HIS HB2 H 2.987 0.020 1 1054 96 96 HIS HB3 H 2.987 0.020 1 1055 96 96 HIS HD1 H 7.012 0.020 1 1056 96 96 HIS C C 174.722 0.400 1 1057 96 96 HIS CA C 55.839 0.400 1 1058 96 96 HIS CB C 29.935 0.400 1 1059 96 96 HIS N N 120.430 0.400 1 1060 97 97 ILE H H 7.984 0.020 1 1061 97 97 ILE HA H 4.017 0.020 1 1062 97 97 ILE HB H 1.735 0.020 1 1063 97 97 ILE HD1 H 0.792 0.020 1 1064 97 97 ILE HG12 H 1.054 0.020 2 1065 97 97 ILE HG13 H 1.335 0.020 2 1066 97 97 ILE HG2 H 0.809 0.020 1 1067 97 97 ILE C C 176.430 0.400 1 1068 97 97 ILE CA C 61.562 0.400 1 1069 97 97 ILE CB C 38.238 0.400 1 1070 97 97 ILE CD1 C 13.360 0.400 1 1071 97 97 ILE CG1 C 27.628 0.400 1 1072 97 97 ILE CG2 C 17.494 0.400 1 1073 97 97 ILE N N 121.612 0.400 1 1074 98 98 GLY H H 8.386 0.020 1 1075 98 98 GLY HA2 H 3.915 0.020 2 1076 98 98 GLY HA3 H 3.877 0.020 2 1077 98 98 GLY C C 174.078 0.400 1 1078 98 98 GLY CA C 45.188 0.400 1 1079 98 98 GLY N N 111.637 0.400 1 1080 99 99 HIS H H 8.150 0.020 1 1081 99 99 HIS HA H 4.605 0.020 1 1082 99 99 HIS HB2 H 3.068 0.020 1 1083 99 99 HIS HB3 H 3.068 0.020 1 1084 99 99 HIS HD1 H 6.970 0.020 1 1085 99 99 HIS C C 175.261 0.400 1 1086 99 99 HIS CA C 56.098 0.400 1 1087 99 99 HIS CB C 30.218 0.400 1 1088 99 99 HIS N N 119.184 0.400 1 1089 100 100 LYS H H 8.265 0.020 1 1090 100 100 LYS HA H 4.227 0.020 1 1091 100 100 LYS C C 176.529 0.400 1 1092 100 100 LYS CA C 56.381 0.400 1 1093 100 100 LYS N N 121.680 0.400 1 1094 101 101 LEU H H 8.321 0.020 1 1095 101 101 LEU HA H 4.308 0.020 1 1096 101 101 LEU HB2 H 1.514 0.020 2 1097 101 101 LEU HB3 H 1.601 0.020 2 1098 101 101 LEU HD1 H 0.816 0.020 2 1099 101 101 LEU HD2 H 0.856 0.020 2 1100 101 101 LEU HG H 1.567 0.020 1 1101 101 101 LEU C C 177.181 0.400 1 1102 101 101 LEU CA C 55.086 0.400 1 1103 101 101 LEU CB C 41.875 0.400 1 1104 101 101 LEU CD1 C 23.465 0.400 1 1105 101 101 LEU CD2 C 25.038 0.400 1 1106 101 101 LEU CG C 27.110 0.400 1 1107 101 101 LEU N N 122.597 0.400 1 1108 102 102 GLU H H 8.304 0.020 1 1109 102 102 GLU HA H 4.185 0.020 1 1110 102 102 GLU HB2 H 1.875 0.020 1 1111 102 102 GLU HB3 H 1.875 0.020 1 1112 102 102 GLU HG2 H 2.156 0.020 1 1113 102 102 GLU HG3 H 2.156 0.020 1 1114 102 102 GLU C C 176.125 0.400 1 1115 102 102 GLU CA C 56.381 0.400 1 1116 102 102 GLU N N 121.151 0.400 1 1117 103 103 HIS H H 8.258 0.020 1 1118 103 103 HIS HA H 4.548 0.020 1 1119 103 103 HIS HB2 H 3.020 0.020 1 1120 103 103 HIS HB3 H 3.020 0.020 1 1121 103 103 HIS C C 174.956 0.400 1 1122 103 103 HIS CA C 56.122 0.400 1 1123 103 103 HIS CB C 30.477 0.400 1 1124 103 103 HIS N N 119.430 0.400 1 stop_ save_