data_10138 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal domain of RimM from Thermus thermophilus HB8 ; _BMRB_accession_number 10138 _BMRB_flat_file_name bmr10138.str _Entry_type original _Submission_date 2007-06-04 _Accession_date 2007-06-06 _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 Suzuki S. . . 2 Matsumoto E. . . 3 Tatsuguchi A. . . 4 Kawazoe M. . . 5 Kaminishi T. . . 6 Takemoto C. . . 7 Shirouzu M. . . 8 Muto Y. . . 9 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 493 "13C chemical shifts" 388 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-12 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 10139 'full-length RimM (residues 1-162) in free state' 10140 'full-length RimM and ribosomal protein S19 (rS19)' stop_ _Original_release_date 2008-06-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of the ribosome maturation protein, RimM' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17616598 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Suzuki S. . . 2 Tatsuguchi A. . . 3 Matsumoto E. . . 4 Kawazoe M. . . 5 Kaminishi T. . . 6 Shirouzu M. . . 7 Muto Y. . . 8 Takemoto C. . . 9 Yokoyama S. . . stop_ _Journal_abbreviation 'J. Bacteriol.' _Journal_volume 189 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last 6397 _Year 6406 _Details 2007 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Probable 16S rRNA-processing protein rimM' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Probable 16S rRNA-processing protein rimM' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RIEF fold' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; MRLVEIGRFGAPYALKGGLR FRGEPVVLHLERVYVEGHGW RAIEDLYRVGEELVVHLAGV TDRTLAEALVGLRVYAEVAD LPPLE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 LEU 4 VAL 5 GLU 6 ILE 7 GLY 8 ARG 9 PHE 10 GLY 11 ALA 12 PRO 13 TYR 14 ALA 15 LEU 16 LYS 17 GLY 18 GLY 19 LEU 20 ARG 21 PHE 22 ARG 23 GLY 24 GLU 25 PRO 26 VAL 27 VAL 28 LEU 29 HIS 30 LEU 31 GLU 32 ARG 33 VAL 34 TYR 35 VAL 36 GLU 37 GLY 38 HIS 39 GLY 40 TRP 41 ARG 42 ALA 43 ILE 44 GLU 45 ASP 46 LEU 47 TYR 48 ARG 49 VAL 50 GLY 51 GLU 52 GLU 53 LEU 54 VAL 55 VAL 56 HIS 57 LEU 58 ALA 59 GLY 60 VAL 61 THR 62 ASP 63 ARG 64 THR 65 LEU 66 ALA 67 GLU 68 ALA 69 LEU 70 VAL 71 GLY 72 LEU 73 ARG 74 VAL 75 TYR 76 ALA 77 GLU 78 VAL 79 ALA 80 ASP 81 LEU 82 PRO 83 PRO 84 LEU 85 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 10139 RimM 100.00 162 100.00 100.00 1.46e-48 BMRB 10140 RimM 100.00 162 100.00 100.00 1.46e-48 PDB 2DOG "Solution Structure Of The N-Terminal Domain Of Rimm From Thermus Thermophilus Hb8" 100.00 85 100.00 100.00 1.38e-49 PDB 2DYI "Crystal Structure Of 16s Ribosomal Rna Processing Protein Rimm From Thermus Thermophilus Hb8" 100.00 162 100.00 100.00 1.46e-48 PDB 3A1P "Structure Of Ribosome Maturation Protein Rimm And Ribosomal Protein S19" 100.00 162 100.00 100.00 1.46e-48 DBJ BAD70856 "16S rRNA processing protein RimM [Thermus thermophilus HB8]" 100.00 162 100.00 100.00 1.46e-48 GB AAS81019 "16S rRNA processing protein rimM [Thermus thermophilus HB27]" 100.00 162 100.00 100.00 1.79e-48 GB AEG33454 "16S rRNA processing protein RimM [Thermus thermophilus SG0.5JP17-16]" 100.00 162 100.00 100.00 1.79e-48 GB AFH38925 "16S rRNA processing protein RimM [Thermus thermophilus JL-18]" 100.00 162 100.00 100.00 1.79e-48 GB EIA39096 "16S rRNA-processing protein RimM [Thermus sp. RL]" 100.00 162 100.00 100.00 1.79e-48 REF WP_008632437 "MULTISPECIES: ribosome maturation factor RimM [Thermus]" 100.00 162 100.00 100.00 1.79e-48 REF WP_011228392 "ribosome maturation factor RimM [Thermus thermophilus]" 100.00 162 100.00 100.00 1.46e-48 REF YP_144299 "16S rRNA-processing protein RimM [Thermus thermophilus HB8]" 100.00 162 100.00 100.00 1.46e-48 SP Q5SJH5 "RecName: Full=Ribosome maturation factor RimM" 100.00 162 100.00 100.00 1.46e-48 SP Q72JU7 "RecName: Full=Ribosome maturation factor RimM" 100.00 162 100.00 100.00 1.79e-48 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity_1 'Thermus thermophilus' 300852 Bacteria . Thermus thermophilus HB8 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 'cell free synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9321 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name Olivia _Version 1.10.5 loop_ _Vendor _Address _Electronic_address 'Yokochi, M.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_software_7 _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address 'Goddard, T.D.' . . 'Kneller, D.G.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.5 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Probable 16S rRNA-processing protein rimM' _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 4.179 0.030 1 2 1 1 MET HB2 H 2.479 0.030 2 3 1 1 MET HB3 H 2.585 0.030 2 4 1 1 MET HG2 H 2.110 0.030 1 5 1 1 MET HG3 H 2.110 0.030 1 6 1 1 MET HE H 1.966 0.030 1 7 1 1 MET CA C 55.230 0.300 1 8 1 1 MET CB C 31.237 0.300 1 9 1 1 MET CG C 33.902 0.300 1 10 1 1 MET CE C 16.953 0.300 1 11 2 2 ARG HA H 4.525 0.030 1 12 2 2 ARG HB2 H 1.799 0.030 1 13 2 2 ARG HB3 H 1.799 0.030 1 14 2 2 ARG HG2 H 1.556 0.030 1 15 2 2 ARG HG3 H 1.556 0.030 1 16 2 2 ARG HD2 H 3.194 0.030 1 17 2 2 ARG HD3 H 3.194 0.030 1 18 2 2 ARG C C 173.541 0.300 1 19 2 2 ARG CA C 55.736 0.300 1 20 2 2 ARG CB C 32.226 0.300 1 21 2 2 ARG CG C 27.050 0.300 1 22 2 2 ARG CD C 43.714 0.300 1 23 3 3 LEU H H 8.335 0.030 1 24 3 3 LEU HA H 5.135 0.030 1 25 3 3 LEU HB2 H 1.427 0.030 2 26 3 3 LEU HB3 H 1.080 0.030 2 27 3 3 LEU HG H 1.249 0.030 1 28 3 3 LEU HD1 H 0.392 0.030 1 29 3 3 LEU HD2 H -0.170 0.030 1 30 3 3 LEU C C 177.572 0.300 1 31 3 3 LEU CA C 53.731 0.300 1 32 3 3 LEU CB C 43.822 0.300 1 33 3 3 LEU CG C 26.672 0.300 1 34 3 3 LEU CD1 C 23.253 0.300 2 35 3 3 LEU CD2 C 24.334 0.300 2 36 3 3 LEU N N 123.272 0.300 1 37 4 4 VAL H H 9.265 0.030 1 38 4 4 VAL HA H 4.590 0.030 1 39 4 4 VAL HB H 1.986 0.030 1 40 4 4 VAL HG1 H 0.900 0.030 1 41 4 4 VAL HG2 H 0.922 0.030 1 42 4 4 VAL C C 174.511 0.300 1 43 4 4 VAL CA C 59.946 0.300 1 44 4 4 VAL CB C 35.328 0.300 1 45 4 4 VAL CG1 C 20.885 0.300 2 46 4 4 VAL CG2 C 20.487 0.300 2 47 4 4 VAL N N 120.529 0.300 1 48 5 5 GLU H H 8.984 0.030 1 49 5 5 GLU HA H 3.770 0.030 1 50 5 5 GLU HB2 H 1.878 0.030 1 51 5 5 GLU HB3 H 1.878 0.030 1 52 5 5 GLU HG2 H 1.848 0.030 2 53 5 5 GLU HG3 H 1.708 0.030 2 54 5 5 GLU C C 176.898 0.300 1 55 5 5 GLU CA C 57.299 0.300 1 56 5 5 GLU CB C 30.322 0.300 1 57 5 5 GLU CG C 35.890 0.300 1 58 5 5 GLU N N 128.748 0.300 1 59 6 6 ILE H H 9.180 0.030 1 60 6 6 ILE HA H 4.721 0.030 1 61 6 6 ILE HB H 2.033 0.030 1 62 6 6 ILE HG12 H 1.120 0.030 2 63 6 6 ILE HG13 H 0.794 0.030 2 64 6 6 ILE HG2 H 0.907 0.030 1 65 6 6 ILE HD1 H 0.639 0.030 1 66 6 6 ILE C C 174.495 0.300 1 67 6 6 ILE CA C 61.078 0.300 1 68 6 6 ILE CB C 41.163 0.300 1 69 6 6 ILE CG1 C 26.487 0.300 1 70 6 6 ILE CG2 C 18.323 0.300 1 71 6 6 ILE CD1 C 15.271 0.300 1 72 6 6 ILE N N 119.263 0.300 1 73 7 7 GLY H H 7.485 0.030 1 74 7 7 GLY HA2 H 3.986 0.030 2 75 7 7 GLY HA3 H 4.112 0.030 2 76 7 7 GLY C C 170.628 0.300 1 77 7 7 GLY CA C 46.888 0.300 1 78 7 7 GLY N N 108.438 0.300 1 79 8 8 ARG H H 7.952 0.030 1 80 8 8 ARG HA H 5.030 0.030 1 81 8 8 ARG HB2 H 1.418 0.030 2 82 8 8 ARG HB3 H 1.472 0.030 2 83 8 8 ARG HG2 H 1.418 0.030 2 84 8 8 ARG HG3 H 1.371 0.030 2 85 8 8 ARG HD2 H 2.975 0.030 2 86 8 8 ARG HD3 H 3.038 0.030 2 87 8 8 ARG C C 175.367 0.300 1 88 8 8 ARG CA C 54.258 0.300 1 89 8 8 ARG CB C 34.989 0.300 1 90 8 8 ARG CG C 27.227 0.300 1 91 8 8 ARG CD C 43.708 0.300 1 92 8 8 ARG N N 118.085 0.300 1 93 9 9 PHE H H 8.105 0.030 1 94 9 9 PHE HA H 5.358 0.030 1 95 9 9 PHE HB2 H 3.265 0.030 2 96 9 9 PHE HB3 H 3.393 0.030 2 97 9 9 PHE HD1 H 7.490 0.030 1 98 9 9 PHE HD2 H 7.490 0.030 1 99 9 9 PHE HE1 H 7.047 0.030 1 100 9 9 PHE HE2 H 7.047 0.030 1 101 9 9 PHE HZ H 6.856 0.030 1 102 9 9 PHE C C 178.971 0.300 1 103 9 9 PHE CA C 58.519 0.300 1 104 9 9 PHE CB C 39.587 0.300 1 105 9 9 PHE CD1 C 132.017 0.300 1 106 9 9 PHE CD2 C 132.017 0.300 1 107 9 9 PHE CE1 C 130.411 0.300 1 108 9 9 PHE CE2 C 130.411 0.300 1 109 9 9 PHE CZ C 128.649 0.300 1 110 9 9 PHE N N 119.896 0.300 1 111 10 10 GLY H H 9.138 0.030 1 112 10 10 GLY HA2 H 4.408 0.030 2 113 10 10 GLY HA3 H 3.441 0.030 2 114 10 10 GLY C C 170.611 0.300 1 115 10 10 GLY CA C 43.514 0.300 1 116 10 10 GLY N N 114.290 0.300 1 117 11 11 ALA H H 7.992 0.030 1 118 11 11 ALA HA H 4.484 0.030 1 119 11 11 ALA HB H 1.397 0.030 1 120 11 11 ALA C C 175.639 0.300 1 121 11 11 ALA CA C 50.975 0.300 1 122 11 11 ALA CB C 17.891 0.300 1 123 11 11 ALA N N 118.842 0.300 1 124 12 12 PRO HA H 4.723 0.030 1 125 12 12 PRO HB2 H 2.336 0.030 2 126 12 12 PRO HB3 H 1.624 0.030 2 127 12 12 PRO HG2 H 1.945 0.030 2 128 12 12 PRO HG3 H 1.438 0.030 2 129 12 12 PRO HD2 H 3.475 0.030 2 130 12 12 PRO HD3 H 3.954 0.030 2 131 12 12 PRO C C 175.565 0.300 1 132 12 12 PRO CA C 62.492 0.300 1 133 12 12 PRO CB C 32.238 0.300 1 134 12 12 PRO CG C 28.123 0.300 1 135 12 12 PRO CD C 50.952 0.300 1 136 13 13 TYR H H 8.535 0.030 1 137 13 13 TYR HA H 4.608 0.030 1 138 13 13 TYR HB2 H 2.392 0.030 2 139 13 13 TYR HB3 H 2.476 0.030 2 140 13 13 TYR HD1 H 7.053 0.030 1 141 13 13 TYR HD2 H 7.053 0.030 1 142 13 13 TYR HE1 H 6.919 0.030 1 143 13 13 TYR HE2 H 6.919 0.030 1 144 13 13 TYR C C 173.179 0.300 1 145 13 13 TYR CA C 56.367 0.300 1 146 13 13 TYR CB C 42.299 0.300 1 147 13 13 TYR CD1 C 133.600 0.300 1 148 13 13 TYR CD2 C 133.600 0.300 1 149 13 13 TYR CE1 C 118.616 0.300 1 150 13 13 TYR CE2 C 118.616 0.300 1 151 13 13 TYR N N 124.312 0.300 1 152 14 14 ALA H H 8.567 0.030 1 153 14 14 ALA HA H 3.749 0.030 1 154 14 14 ALA HB H 1.122 0.030 1 155 14 14 ALA C C 177.934 0.300 1 156 14 14 ALA CA C 52.873 0.300 1 157 14 14 ALA CB C 17.175 0.300 1 158 14 14 ALA N N 129.160 0.300 1 159 15 15 LEU H H 8.225 0.030 1 160 15 15 LEU HA H 4.700 0.030 1 161 15 15 LEU HB2 H 1.834 0.030 2 162 15 15 LEU HB3 H 1.730 0.030 2 163 15 15 LEU HG H 1.495 0.030 1 164 15 15 LEU HD1 H 0.887 0.030 1 165 15 15 LEU HD2 H 0.799 0.030 1 166 15 15 LEU C C 177.819 0.300 1 167 15 15 LEU CA C 56.066 0.300 1 168 15 15 LEU CB C 43.629 0.300 1 169 15 15 LEU CG C 26.987 0.300 1 170 15 15 LEU CD1 C 25.181 0.300 2 171 15 15 LEU CD2 C 22.919 0.300 2 172 15 15 LEU N N 118.711 0.300 1 173 16 16 LYS H H 8.543 0.030 1 174 16 16 LYS HA H 4.559 0.030 1 175 16 16 LYS HB2 H 1.703 0.030 2 176 16 16 LYS HB3 H 2.358 0.030 2 177 16 16 LYS HG2 H 1.456 0.030 2 178 16 16 LYS HG3 H 1.583 0.030 2 179 16 16 LYS HD2 H 1.732 0.030 1 180 16 16 LYS HD3 H 1.732 0.030 1 181 16 16 LYS HE2 H 3.038 0.030 1 182 16 16 LYS HE3 H 3.038 0.030 1 183 16 16 LYS C C 174.594 0.300 1 184 16 16 LYS CA C 55.946 0.300 1 185 16 16 LYS CB C 32.493 0.300 1 186 16 16 LYS CG C 25.163 0.300 1 187 16 16 LYS CD C 28.845 0.300 1 188 16 16 LYS CE C 41.998 0.300 1 189 16 16 LYS N N 120.756 0.300 1 190 17 17 GLY H H 7.672 0.030 1 191 17 17 GLY HA2 H 4.344 0.030 2 192 17 17 GLY HA3 H 3.013 0.030 2 193 17 17 GLY C C 173.639 0.300 1 194 17 17 GLY CA C 44.828 0.300 1 195 17 17 GLY N N 105.950 0.300 1 196 18 18 GLY H H 8.006 0.030 1 197 18 18 GLY HA2 H 2.662 0.030 2 198 18 18 GLY HA3 H 2.837 0.030 2 199 18 18 GLY C C 173.425 0.300 1 200 18 18 GLY CA C 45.328 0.300 1 201 18 18 GLY N N 108.217 0.300 1 202 19 19 LEU H H 8.379 0.030 1 203 19 19 LEU HA H 4.398 0.030 1 204 19 19 LEU HB2 H 1.171 0.030 2 205 19 19 LEU HB3 H 1.128 0.030 2 206 19 19 LEU HG H 1.268 0.030 1 207 19 19 LEU HD1 H 0.104 0.030 1 208 19 19 LEU HD2 H 0.553 0.030 1 209 19 19 LEU C C 175.746 0.300 1 210 19 19 LEU CA C 54.253 0.300 1 211 19 19 LEU CB C 47.118 0.300 1 212 19 19 LEU CG C 26.589 0.300 1 213 19 19 LEU CD1 C 26.044 0.300 2 214 19 19 LEU CD2 C 24.686 0.300 2 215 19 19 LEU N N 125.171 0.300 1 216 20 20 ARG H H 7.509 0.030 1 217 20 20 ARG HA H 4.705 0.030 1 218 20 20 ARG HB2 H 1.745 0.030 2 219 20 20 ARG HB3 H 1.858 0.030 2 220 20 20 ARG HG2 H 1.440 0.030 2 221 20 20 ARG HG3 H 1.724 0.030 2 222 20 20 ARG HD2 H 3.299 0.030 2 223 20 20 ARG HD3 H 3.128 0.030 2 224 20 20 ARG C C 176.141 0.300 1 225 20 20 ARG CA C 56.907 0.300 1 226 20 20 ARG CB C 30.862 0.300 1 227 20 20 ARG CG C 30.061 0.300 1 228 20 20 ARG CD C 43.566 0.300 1 229 20 20 ARG N N 120.130 0.300 1 230 21 21 PHE H H 9.063 0.030 1 231 21 21 PHE HA H 4.929 0.030 1 232 21 21 PHE HB2 H 2.813 0.030 2 233 21 21 PHE HB3 H 2.741 0.030 2 234 21 21 PHE HD1 H 6.791 0.030 1 235 21 21 PHE HD2 H 6.791 0.030 1 236 21 21 PHE HE1 H 6.855 0.030 1 237 21 21 PHE HE2 H 6.855 0.030 1 238 21 21 PHE HZ H 6.789 0.030 1 239 21 21 PHE C C 173.705 0.300 1 240 21 21 PHE CA C 57.418 0.300 1 241 21 21 PHE CB C 42.646 0.300 1 242 21 21 PHE CD1 C 131.485 0.300 1 243 21 21 PHE CD2 C 131.485 0.300 1 244 21 21 PHE CE1 C 129.235 0.300 1 245 21 21 PHE CE2 C 129.235 0.300 1 246 21 21 PHE CZ C 130.985 0.300 1 247 21 21 PHE N N 123.707 0.300 1 248 22 22 ARG H H 7.822 0.030 1 249 22 22 ARG HA H 4.501 0.030 1 250 22 22 ARG HB2 H 1.596 0.030 2 251 22 22 ARG HB3 H 1.536 0.030 2 252 22 22 ARG HG2 H 1.459 0.030 1 253 22 22 ARG HG3 H 1.459 0.030 1 254 22 22 ARG HD2 H 3.118 0.030 2 255 22 22 ARG HD3 H 3.063 0.030 2 256 22 22 ARG C C 174.215 0.300 1 257 22 22 ARG CA C 53.881 0.300 1 258 22 22 ARG CB C 30.902 0.300 1 259 22 22 ARG CG C 26.987 0.300 1 260 22 22 ARG CD C 43.373 0.300 1 261 22 22 ARG N N 129.240 0.300 1 262 23 23 GLY H H 7.954 0.030 1 263 23 23 GLY HA2 H 3.850 0.030 2 264 23 23 GLY HA3 H 4.322 0.030 2 265 23 23 GLY C C 172.849 0.300 1 266 23 23 GLY CA C 45.907 0.300 1 267 23 23 GLY N N 111.983 0.300 1 268 24 24 GLU H H 8.807 0.030 1 269 24 24 GLU HA H 4.575 0.030 1 270 24 24 GLU HB2 H 1.925 0.030 2 271 24 24 GLU HB3 H 2.438 0.030 2 272 24 24 GLU HG2 H 2.517 0.030 2 273 24 24 GLU HG3 H 2.432 0.030 2 274 24 24 GLU CA C 54.548 0.300 1 275 24 24 GLU CB C 31.112 0.300 1 276 24 24 GLU CG C 35.828 0.300 1 277 24 24 GLU N N 121.087 0.300 1 278 25 25 PRO HA H 4.412 0.030 1 279 25 25 PRO HB2 H 2.326 0.030 2 280 25 25 PRO HB3 H 2.168 0.030 2 281 25 25 PRO HG2 H 2.124 0.030 2 282 25 25 PRO HG3 H 2.025 0.030 2 283 25 25 PRO HD2 H 4.006 0.030 2 284 25 25 PRO HD3 H 3.875 0.030 2 285 25 25 PRO C C 177.424 0.300 1 286 25 25 PRO CA C 64.264 0.300 1 287 25 25 PRO CB C 31.072 0.300 1 288 25 25 PRO CG C 27.300 0.300 1 289 25 25 PRO CD C 51.043 0.300 1 290 26 26 VAL H H 7.086 0.030 1 291 26 26 VAL HA H 4.017 0.030 1 292 26 26 VAL HB H 2.252 0.030 1 293 26 26 VAL HG1 H 0.929 0.030 1 294 26 26 VAL HG2 H 1.025 0.030 1 295 26 26 VAL C C 175.334 0.300 1 296 26 26 VAL CA C 63.571 0.300 1 297 26 26 VAL CB C 31.356 0.300 1 298 26 26 VAL CG1 C 20.175 0.300 2 299 26 26 VAL CG2 C 21.186 0.300 2 300 26 26 VAL N N 118.842 0.300 1 301 27 27 VAL H H 6.962 0.030 1 302 27 27 VAL HA H 3.524 0.030 1 303 27 27 VAL HB H 1.496 0.030 1 304 27 27 VAL HG1 H 0.424 0.030 1 305 27 27 VAL HG2 H 0.196 0.030 1 306 27 27 VAL C C 173.936 0.300 1 307 27 27 VAL CA C 63.588 0.300 1 308 27 27 VAL CB C 31.981 0.300 1 309 27 27 VAL CG1 C 20.277 0.300 2 310 27 27 VAL CG2 C 20.413 0.300 2 311 27 27 VAL N N 119.103 0.300 1 312 28 28 LEU H H 7.241 0.030 1 313 28 28 LEU HA H 3.828 0.030 1 314 28 28 LEU HB2 H 1.212 0.030 2 315 28 28 LEU HB3 H 1.394 0.030 2 316 28 28 LEU HG H 1.589 0.030 1 317 28 28 LEU HD1 H 0.901 0.030 1 318 28 28 LEU HD2 H 0.787 0.030 1 319 28 28 LEU C C 177.260 0.300 1 320 28 28 LEU CA C 56.816 0.300 1 321 28 28 LEU CB C 41.958 0.300 1 322 28 28 LEU CG C 27.686 0.300 1 323 28 28 LEU CD1 C 25.118 0.300 2 324 28 28 LEU CD2 C 23.817 0.300 2 325 28 28 LEU N N 117.561 0.300 1 326 29 29 HIS H H 7.752 0.030 1 327 29 29 HIS HA H 4.861 0.030 1 328 29 29 HIS HB2 H 3.444 0.030 2 329 29 29 HIS HB3 H 2.985 0.030 2 330 29 29 HIS HD2 H 7.046 0.030 1 331 29 29 HIS HE1 H 8.213 0.030 1 332 29 29 HIS C C 174.462 0.300 1 333 29 29 HIS CA C 54.543 0.300 1 334 29 29 HIS CB C 30.265 0.300 1 335 29 29 HIS CD2 C 120.610 0.300 1 336 29 29 HIS CE1 C 137.443 0.300 1 337 29 29 HIS N N 114.074 0.300 1 338 30 30 LEU H H 7.098 0.030 1 339 30 30 LEU HA H 4.688 0.030 1 340 30 30 LEU HB2 H 1.605 0.030 1 341 30 30 LEU HB3 H 1.605 0.030 1 342 30 30 LEU HG H 1.889 0.030 1 343 30 30 LEU HD1 H 0.824 0.030 1 344 30 30 LEU HD2 H 0.979 0.030 1 345 30 30 LEU C C 176.206 0.300 1 346 30 30 LEU CA C 54.032 0.300 1 347 30 30 LEU CB C 43.634 0.300 1 348 30 30 LEU CG C 25.828 0.300 1 349 30 30 LEU CD1 C 27.663 0.300 2 350 30 30 LEU CD2 C 22.607 0.300 2 351 30 30 LEU N N 119.475 0.300 1 352 31 31 GLU H H 8.936 0.030 1 353 31 31 GLU HA H 4.529 0.030 1 354 31 31 GLU HB2 H 2.152 0.030 2 355 31 31 GLU HB3 H 1.955 0.030 2 356 31 31 GLU HG2 H 2.289 0.030 1 357 31 31 GLU HG3 H 2.289 0.030 1 358 31 31 GLU C C 176.947 0.300 1 359 31 31 GLU CA C 56.611 0.300 1 360 31 31 GLU CB C 31.396 0.300 1 361 31 31 GLU CG C 36.588 0.300 1 362 31 31 GLU N N 117.285 0.300 1 363 32 32 ARG H H 7.754 0.030 1 364 32 32 ARG HA H 5.305 0.030 1 365 32 32 ARG HB2 H 2.021 0.030 2 366 32 32 ARG HB3 H 1.744 0.030 2 367 32 32 ARG HG2 H 1.620 0.030 2 368 32 32 ARG HG3 H 1.516 0.030 2 369 32 32 ARG HD2 H 2.526 0.030 2 370 32 32 ARG HD3 H 2.813 0.030 2 371 32 32 ARG C C 173.524 0.300 1 372 32 32 ARG CA C 54.691 0.300 1 373 32 32 ARG CB C 33.095 0.300 1 374 32 32 ARG CG C 25.050 0.300 1 375 32 32 ARG CD C 43.720 0.300 1 376 32 32 ARG N N 115.658 0.300 1 377 33 33 VAL H H 8.769 0.030 1 378 33 33 VAL HA H 5.089 0.030 1 379 33 33 VAL HB H 2.212 0.030 1 380 33 33 VAL HG1 H 0.769 0.030 1 381 33 33 VAL HG2 H 0.710 0.030 1 382 33 33 VAL C C 172.389 0.300 1 383 33 33 VAL CA C 59.185 0.300 1 384 33 33 VAL CB C 35.959 0.300 1 385 33 33 VAL CG1 C 23.777 0.300 2 386 33 33 VAL CG2 C 17.465 0.300 2 387 33 33 VAL N N 110.950 0.300 1 388 34 34 TYR H H 9.056 0.030 1 389 34 34 TYR HA H 4.097 0.030 1 390 34 34 TYR HB2 H 2.280 0.030 2 391 34 34 TYR HB3 H 0.467 0.030 2 392 34 34 TYR HD1 H 5.482 0.030 1 393 34 34 TYR HD2 H 5.482 0.030 1 394 34 34 TYR HE1 H 6.370 0.030 1 395 34 34 TYR HE2 H 6.370 0.030 1 396 34 34 TYR C C 174.824 0.300 1 397 34 34 TYR CA C 56.427 0.300 1 398 34 34 TYR CB C 38.549 0.300 1 399 34 34 TYR CD1 C 132.389 0.300 1 400 34 34 TYR CD2 C 132.389 0.300 1 401 34 34 TYR CE1 C 117.457 0.300 1 402 34 34 TYR CE2 C 117.457 0.300 1 403 34 34 TYR N N 125.134 0.300 1 404 35 35 VAL H H 8.270 0.030 1 405 35 35 VAL HA H 4.448 0.030 1 406 35 35 VAL HB H 1.948 0.030 1 407 35 35 VAL HG1 H 1.174 0.030 1 408 35 35 VAL HG2 H 1.025 0.030 1 409 35 35 VAL C C 175.120 0.300 1 410 35 35 VAL CA C 61.679 0.300 1 411 35 35 VAL CB C 33.481 0.300 1 412 35 35 VAL CG1 C 21.925 0.300 2 413 35 35 VAL CG2 C 22.237 0.300 2 414 35 35 VAL N N 129.211 0.300 1 415 36 36 GLU H H 8.857 0.030 1 416 36 36 GLU HA H 4.122 0.030 1 417 36 36 GLU HB2 H 2.442 0.030 2 418 36 36 GLU HB3 H 2.494 0.030 2 419 36 36 GLU HG2 H 2.559 0.030 2 420 36 36 GLU HG3 H 2.423 0.030 2 421 36 36 GLU C C 175.943 0.300 1 422 36 36 GLU CA C 58.276 0.300 1 423 36 36 GLU CB C 31.595 0.300 1 424 36 36 GLU CG C 34.515 0.300 1 425 36 36 GLU N N 130.031 0.300 1 426 37 37 GLY H H 8.779 0.030 1 427 37 37 GLY HA2 H 3.645 0.030 2 428 37 37 GLY HA3 H 4.219 0.030 2 429 37 37 GLY C C 173.870 0.300 1 430 37 37 GLY CA C 45.975 0.300 1 431 37 37 GLY N N 113.975 0.300 1 432 38 38 HIS H H 8.341 0.030 1 433 38 38 HIS HA H 4.504 0.030 1 434 38 38 HIS HB2 H 2.932 0.030 2 435 38 38 HIS HB3 H 2.413 0.030 2 436 38 38 HIS HD2 H 7.146 0.030 1 437 38 38 HIS HE1 H 7.773 0.030 1 438 38 38 HIS C C 174.939 0.300 1 439 38 38 HIS CA C 57.946 0.300 1 440 38 38 HIS CB C 32.733 0.300 1 441 38 38 HIS CD2 C 120.692 0.300 1 442 38 38 HIS CE1 C 138.430 0.300 1 443 38 38 HIS N N 118.423 0.300 1 444 39 39 GLY H H 7.851 0.030 1 445 39 39 GLY HA2 H 4.196 0.030 2 446 39 39 GLY HA3 H 2.410 0.030 2 447 39 39 GLY C C 173.425 0.300 1 448 39 39 GLY CA C 43.339 0.300 1 449 39 39 GLY N N 107.595 0.300 1 450 40 40 TRP H H 8.318 0.030 1 451 40 40 TRP HA H 4.946 0.030 1 452 40 40 TRP HB2 H 3.123 0.030 1 453 40 40 TRP HB3 H 3.123 0.030 1 454 40 40 TRP HD1 H 7.458 0.030 1 455 40 40 TRP HE1 H 10.153 0.030 1 456 40 40 TRP HE3 H 7.281 0.030 1 457 40 40 TRP HZ2 H 7.412 0.030 1 458 40 40 TRP HH2 H 7.098 0.030 1 459 40 40 TRP C C 178.823 0.300 1 460 40 40 TRP CA C 57.799 0.300 1 461 40 40 TRP CB C 30.606 0.300 1 462 40 40 TRP CD1 C 127.469 0.300 1 463 40 40 TRP CE3 C 119.473 0.300 1 464 40 40 TRP CZ2 C 114.939 0.300 1 465 40 40 TRP CZ3 C 122.009 0.300 1 466 40 40 TRP CH2 C 124.508 0.300 1 467 40 40 TRP N N 120.167 0.300 1 468 40 40 TRP NE1 N 128.538 0.300 1 469 41 41 ARG H H 9.860 0.030 1 470 41 41 ARG HA H 4.859 0.030 1 471 41 41 ARG HB2 H 1.796 0.030 1 472 41 41 ARG HB3 H 1.796 0.030 1 473 41 41 ARG HG2 H 1.656 0.030 2 474 41 41 ARG HG3 H 1.398 0.030 2 475 41 41 ARG HD2 H 3.600 0.030 2 476 41 41 ARG HD3 H 3.295 0.030 2 477 41 41 ARG HE H 7.425 0.030 1 478 41 41 ARG C C 174.594 0.300 1 479 41 41 ARG CA C 53.344 0.300 1 480 41 41 ARG CB C 35.322 0.300 1 481 41 41 ARG CG C 26.226 0.300 1 482 41 41 ARG CD C 42.555 0.300 1 483 41 41 ARG N N 122.861 0.300 1 484 41 41 ARG NE N 84.467 0.300 1 485 42 42 ALA H H 8.582 0.030 1 486 42 42 ALA HA H 4.648 0.030 1 487 42 42 ALA HB H 1.462 0.030 1 488 42 42 ALA C C 177.144 0.300 1 489 42 42 ALA CA C 51.912 0.300 1 490 42 42 ALA CB C 19.237 0.300 1 491 42 42 ALA N N 124.582 0.300 1 492 43 43 ILE H H 7.965 0.030 1 493 43 43 ILE HA H 4.174 0.030 1 494 43 43 ILE HB H 1.594 0.030 1 495 43 43 ILE HG12 H 0.678 0.030 2 496 43 43 ILE HG13 H 1.461 0.030 2 497 43 43 ILE HG2 H 0.854 0.030 1 498 43 43 ILE HD1 H 0.619 0.030 1 499 43 43 ILE C C 176.289 0.300 1 500 43 43 ILE CA C 62.003 0.300 1 501 43 43 ILE CB C 38.379 0.300 1 502 43 43 ILE CG1 C 28.038 0.300 1 503 43 43 ILE CG2 C 17.715 0.300 1 504 43 43 ILE CD1 C 13.100 0.300 1 505 43 43 ILE N N 121.317 0.300 1 506 44 44 GLU H H 9.118 0.030 1 507 44 44 GLU HA H 4.416 0.030 1 508 44 44 GLU HB2 H 1.653 0.030 2 509 44 44 GLU HB3 H 1.937 0.030 2 510 44 44 GLU HG2 H 2.087 0.030 2 511 44 44 GLU HG3 H 2.175 0.030 2 512 44 44 GLU C C 175.910 0.300 1 513 44 44 GLU CA C 57.015 0.300 1 514 44 44 GLU CB C 31.669 0.300 1 515 44 44 GLU CG C 36.601 0.300 1 516 44 44 GLU N N 128.555 0.300 1 517 45 45 ASP H H 7.839 0.030 1 518 45 45 ASP HA H 4.823 0.030 1 519 45 45 ASP HB2 H 2.649 0.030 2 520 45 45 ASP HB3 H 2.245 0.030 2 521 45 45 ASP C C 173.458 0.300 1 522 45 45 ASP CA C 53.742 0.300 1 523 45 45 ASP CB C 43.356 0.300 1 524 45 45 ASP N N 116.000 0.300 1 525 46 46 LEU H H 8.357 0.030 1 526 46 46 LEU HA H 5.201 0.030 1 527 46 46 LEU HB2 H 1.606 0.030 1 528 46 46 LEU HB3 H 1.606 0.030 1 529 46 46 LEU HG H 1.550 0.030 1 530 46 46 LEU HD1 H 0.766 0.030 1 531 46 46 LEU HD2 H 0.752 0.030 1 532 46 46 LEU C C 175.186 0.300 1 533 46 46 LEU CA C 55.395 0.300 1 534 46 46 LEU CB C 45.447 0.300 1 535 46 46 LEU CG C 27.322 0.300 1 536 46 46 LEU CD1 C 26.445 0.300 2 537 46 46 LEU CD2 C 27.033 0.300 2 538 46 46 LEU N N 123.272 0.300 1 539 47 47 TYR H H 8.302 0.030 1 540 47 47 TYR HA H 4.701 0.030 1 541 47 47 TYR HB2 H 2.948 0.030 2 542 47 47 TYR HB3 H 3.356 0.030 2 543 47 47 TYR HD1 H 6.568 0.030 1 544 47 47 TYR HD2 H 6.568 0.030 1 545 47 47 TYR HE1 H 6.533 0.030 1 546 47 47 TYR HE2 H 6.533 0.030 1 547 47 47 TYR C C 172.751 0.300 1 548 47 47 TYR CA C 56.043 0.300 1 549 47 47 TYR CB C 38.743 0.300 1 550 47 47 TYR CD1 C 133.787 0.300 1 551 47 47 TYR CD2 C 133.787 0.300 1 552 47 47 TYR CE1 C 119.088 0.300 1 553 47 47 TYR CE2 C 119.088 0.300 1 554 47 47 TYR N N 119.688 0.300 1 555 48 48 ARG H H 8.599 0.030 1 556 48 48 ARG HA H 5.052 0.030 1 557 48 48 ARG HB2 H 1.657 0.030 2 558 48 48 ARG HB3 H 1.790 0.030 2 559 48 48 ARG HG2 H 1.569 0.030 2 560 48 48 ARG HG3 H 1.431 0.030 2 561 48 48 ARG HD2 H 3.147 0.030 2 562 48 48 ARG HD3 H 3.103 0.030 2 563 48 48 ARG C C 176.832 0.300 1 564 48 48 ARG CA C 54.980 0.300 1 565 48 48 ARG CB C 31.970 0.300 1 566 48 48 ARG CG C 27.942 0.300 1 567 48 48 ARG CD C 43.237 0.300 1 568 48 48 ARG N N 118.547 0.300 1 569 49 49 VAL H H 8.614 0.030 1 570 49 49 VAL HA H 4.098 0.030 1 571 49 49 VAL HB H 1.604 0.030 1 572 49 49 VAL HG1 H 0.798 0.030 1 573 49 49 VAL HG2 H 0.520 0.030 1 574 49 49 VAL C C 176.832 0.300 1 575 49 49 VAL CA C 61.906 0.300 1 576 49 49 VAL CB C 32.734 0.300 1 577 49 49 VAL CG1 C 20.590 0.300 2 578 49 49 VAL CG2 C 20.334 0.300 2 579 49 49 VAL N N 124.537 0.300 1 580 50 50 GLY H H 9.057 0.030 1 581 50 50 GLY HA2 H 4.024 0.030 2 582 50 50 GLY HA3 H 3.672 0.030 2 583 50 50 GLY C C 175.038 0.300 1 584 50 50 GLY CA C 47.127 0.300 1 585 50 50 GLY N N 118.892 0.300 1 586 51 51 GLU H H 9.142 0.030 1 587 51 51 GLU HA H 4.378 0.030 1 588 51 51 GLU HB2 H 2.292 0.030 2 589 51 51 GLU HB3 H 1.908 0.030 2 590 51 51 GLU HG2 H 2.256 0.030 2 591 51 51 GLU HG3 H 2.315 0.030 2 592 51 51 GLU C C 176.634 0.300 1 593 51 51 GLU CA C 56.446 0.300 1 594 51 51 GLU CB C 30.112 0.300 1 595 51 51 GLU CG C 36.407 0.300 1 596 51 51 GLU N N 125.878 0.300 1 597 52 52 GLU H H 8.004 0.030 1 598 52 52 GLU HA H 4.554 0.030 1 599 52 52 GLU HB2 H 2.028 0.030 2 600 52 52 GLU HB3 H 2.002 0.030 2 601 52 52 GLU HG2 H 2.334 0.030 2 602 52 52 GLU HG3 H 2.164 0.030 2 603 52 52 GLU C C 174.495 0.300 1 604 52 52 GLU CA C 55.770 0.300 1 605 52 52 GLU CB C 32.351 0.300 1 606 52 52 GLU CG C 37.220 0.300 1 607 52 52 GLU N N 119.424 0.300 1 608 53 53 LEU H H 8.679 0.030 1 609 53 53 LEU HA H 4.587 0.030 1 610 53 53 LEU HB2 H 1.535 0.030 2 611 53 53 LEU HB3 H 1.743 0.030 2 612 53 53 LEU HG H 1.544 0.030 1 613 53 53 LEU HD1 H 0.769 0.030 1 614 53 53 LEU HD2 H 0.700 0.030 1 615 53 53 LEU C C 174.528 0.300 1 616 53 53 LEU CA C 54.390 0.300 1 617 53 53 LEU CB C 44.555 0.300 1 618 53 53 LEU CG C 27.351 0.300 1 619 53 53 LEU CD1 C 24.828 0.300 2 620 53 53 LEU CD2 C 24.999 0.300 2 621 53 53 LEU N N 123.738 0.300 1 622 54 54 VAL H H 8.772 0.030 1 623 54 54 VAL HA H 4.325 0.030 1 624 54 54 VAL HB H 0.899 0.030 1 625 54 54 VAL HG1 H 0.174 0.030 1 626 54 54 VAL HG2 H 0.438 0.030 1 627 54 54 VAL C C 173.590 0.300 1 628 54 54 VAL CA C 61.259 0.300 1 629 54 54 VAL CB C 33.434 0.300 1 630 54 54 VAL CG1 C 20.902 0.300 2 631 54 54 VAL CG2 C 21.646 0.300 2 632 54 54 VAL N N 124.965 0.300 1 633 55 55 VAL H H 8.875 0.030 1 634 55 55 VAL HA H 4.574 0.030 1 635 55 55 VAL HB H 1.837 0.030 1 636 55 55 VAL HG1 H 0.753 0.030 1 637 55 55 VAL HG2 H 0.822 0.030 1 638 55 55 VAL C C 174.511 0.300 1 639 55 55 VAL CA C 59.537 0.300 1 640 55 55 VAL CB C 35.924 0.300 1 641 55 55 VAL CG1 C 21.464 0.300 2 642 55 55 VAL CG2 C 21.487 0.300 2 643 55 55 VAL N N 122.231 0.300 1 644 56 56 HIS H H 8.801 0.030 1 645 56 56 HIS HA H 4.975 0.030 1 646 56 56 HIS HB2 H 3.219 0.030 2 647 56 56 HIS HB3 H 2.847 0.030 2 648 56 56 HIS HD2 H 6.441 0.030 1 649 56 56 HIS HE1 H 7.472 0.030 1 650 56 56 HIS C C 174.808 0.300 1 651 56 56 HIS CA C 54.418 0.300 1 652 56 56 HIS CB C 29.726 0.300 1 653 56 56 HIS CD2 C 125.762 0.300 1 654 56 56 HIS CE1 C 136.622 0.300 1 655 56 56 HIS N N 124.959 0.300 1 656 57 57 LEU H H 9.655 0.030 1 657 57 57 LEU HA H 5.139 0.030 1 658 57 57 LEU HB2 H 1.535 0.030 2 659 57 57 LEU HB3 H 1.235 0.030 2 660 57 57 LEU HG H 1.453 0.030 1 661 57 57 LEU HD1 H 0.672 0.030 1 662 57 57 LEU HD2 H 0.657 0.030 1 663 57 57 LEU C C 177.753 0.300 1 664 57 57 LEU CA C 52.179 0.300 1 665 57 57 LEU CB C 44.373 0.300 1 666 57 57 LEU CG C 26.584 0.300 1 667 57 57 LEU CD1 C 26.311 0.300 2 668 57 57 LEU CD2 C 23.663 0.300 2 669 57 57 LEU N N 124.748 0.300 1 670 58 58 ALA H H 8.845 0.030 1 671 58 58 ALA HA H 4.086 0.030 1 672 58 58 ALA HB H 1.472 0.030 1 673 58 58 ALA C C 178.181 0.300 1 674 58 58 ALA CA C 53.577 0.300 1 675 58 58 ALA CB C 19.317 0.300 1 676 58 58 ALA N N 126.663 0.300 1 677 59 59 GLY H H 9.106 0.030 1 678 59 59 GLY HA2 H 3.714 0.030 2 679 59 59 GLY HA3 H 4.204 0.030 2 680 59 59 GLY C C 174.347 0.300 1 681 59 59 GLY CA C 45.208 0.300 1 682 59 59 GLY N N 109.743 0.300 1 683 60 60 VAL H H 7.974 0.030 1 684 60 60 VAL HA H 4.148 0.030 1 685 60 60 VAL HB H 2.477 0.030 1 686 60 60 VAL HG1 H 0.792 0.030 1 687 60 60 VAL HG2 H 0.637 0.030 1 688 60 60 VAL C C 175.844 0.300 1 689 60 60 VAL CA C 62.236 0.300 1 690 60 60 VAL CB C 29.220 0.300 1 691 60 60 VAL CG1 C 21.788 0.300 2 692 60 60 VAL CG2 C 21.055 0.300 2 693 60 60 VAL N N 124.887 0.300 1 694 61 61 THR H H 6.667 0.030 1 695 61 61 THR HA H 4.488 0.030 1 696 61 61 THR HB H 4.640 0.030 1 697 61 61 THR HG2 H 1.088 0.030 1 698 61 61 THR C C 173.458 0.300 1 699 61 61 THR CA C 61.594 0.300 1 700 61 61 THR CB C 69.088 0.300 1 701 61 61 THR CG2 C 21.902 0.300 1 702 61 61 THR N N 109.306 0.300 1 703 62 62 ASP H H 7.452 0.030 1 704 62 62 ASP HA H 4.638 0.030 1 705 62 62 ASP HB2 H 2.835 0.030 2 706 62 62 ASP HB3 H 3.121 0.030 2 707 62 62 ASP C C 175.236 0.300 1 708 62 62 ASP CA C 53.259 0.300 1 709 62 62 ASP CB C 42.919 0.300 1 710 62 62 ASP N N 115.506 0.300 1 711 63 63 ARG H H 7.948 0.030 1 712 63 63 ARG HA H 4.068 0.030 1 713 63 63 ARG HB2 H 1.920 0.030 2 714 63 63 ARG HB3 H 1.762 0.030 2 715 63 63 ARG HG2 H 1.623 0.030 2 716 63 63 ARG HG3 H 1.749 0.030 2 717 63 63 ARG HD2 H 3.165 0.030 2 718 63 63 ARG HD3 H 3.114 0.030 2 719 63 63 ARG C C 177.128 0.300 1 720 63 63 ARG CA C 58.833 0.300 1 721 63 63 ARG CB C 31.112 0.300 1 722 63 63 ARG CG C 28.082 0.300 1 723 63 63 ARG CD C 43.322 0.300 1 724 63 63 ARG N N 118.903 0.300 1 725 64 64 THR H H 8.156 0.030 1 726 64 64 THR HA H 3.960 0.030 1 727 64 64 THR HB H 4.244 0.030 1 728 64 64 THR HG2 H 1.223 0.030 1 729 64 64 THR C C 177.589 0.300 1 730 64 64 THR CA C 66.384 0.300 1 731 64 64 THR CB C 68.395 0.300 1 732 64 64 THR CG2 C 22.112 0.300 1 733 64 64 THR N N 116.515 0.300 1 734 65 65 LEU H H 8.414 0.030 1 735 65 65 LEU HA H 4.122 0.030 1 736 65 65 LEU HB2 H 1.492 0.030 2 737 65 65 LEU HB3 H 1.743 0.030 2 738 65 65 LEU HG H 1.898 0.030 1 739 65 65 LEU HD1 H 1.078 0.030 1 740 65 65 LEU HD2 H 0.939 0.030 1 741 65 65 LEU C C 179.218 0.300 1 742 65 65 LEU CA C 57.543 0.300 1 743 65 65 LEU CB C 42.748 0.300 1 744 65 65 LEU CG C 27.186 0.300 1 745 65 65 LEU CD1 C 26.606 0.300 2 746 65 65 LEU CD2 C 22.612 0.300 2 747 65 65 LEU N N 123.195 0.300 1 748 66 66 ALA H H 7.563 0.030 1 749 66 66 ALA HA H 3.744 0.030 1 750 66 66 ALA HB H 1.201 0.030 1 751 66 66 ALA C C 179.596 0.300 1 752 66 66 ALA CA C 55.100 0.300 1 753 66 66 ALA CB C 17.942 0.300 1 754 66 66 ALA N N 121.540 0.300 1 755 67 67 GLU H H 8.376 0.030 1 756 67 67 GLU HA H 3.854 0.030 1 757 67 67 GLU HB2 H 2.011 0.030 2 758 67 67 GLU HB3 H 2.231 0.030 2 759 67 67 GLU HG2 H 2.320 0.030 2 760 67 67 GLU HG3 H 2.527 0.030 2 761 67 67 GLU C C 178.395 0.300 1 762 67 67 GLU CA C 59.157 0.300 1 763 67 67 GLU CB C 29.515 0.300 1 764 67 67 GLU CG C 37.453 0.300 1 765 67 67 GLU N N 117.047 0.300 1 766 68 68 ALA H H 6.901 0.030 1 767 68 68 ALA HA H 4.239 0.030 1 768 68 68 ALA HB H 1.491 0.030 1 769 68 68 ALA C C 178.461 0.300 1 770 68 68 ALA CA C 53.797 0.300 1 771 68 68 ALA CB C 18.521 0.300 1 772 68 68 ALA N N 117.438 0.300 1 773 69 69 LEU H H 7.792 0.030 1 774 69 69 LEU HA H 4.486 0.030 1 775 69 69 LEU HB2 H 1.586 0.030 2 776 69 69 LEU HB3 H 1.519 0.030 2 777 69 69 LEU HG H 1.472 0.030 1 778 69 69 LEU HD1 H 0.494 0.030 1 779 69 69 LEU HD2 H 0.177 0.030 1 780 69 69 LEU C C 176.124 0.300 1 781 69 69 LEU CA C 54.043 0.300 1 782 69 69 LEU CB C 41.629 0.300 1 783 69 69 LEU CG C 27.629 0.300 1 784 69 69 LEU CD1 C 26.061 0.300 2 785 69 69 LEU CD2 C 22.874 0.300 2 786 69 69 LEU N N 117.336 0.300 1 787 70 70 VAL H H 6.839 0.030 1 788 70 70 VAL HA H 3.348 0.030 1 789 70 70 VAL HB H 1.950 0.030 1 790 70 70 VAL HG1 H 1.236 0.030 1 791 70 70 VAL HG2 H 0.830 0.030 1 792 70 70 VAL C C 177.967 0.300 1 793 70 70 VAL CA C 65.238 0.300 1 794 70 70 VAL CB C 32.049 0.300 1 795 70 70 VAL CG1 C 22.800 0.300 2 796 70 70 VAL CG2 C 20.345 0.300 2 797 70 70 VAL N N 119.250 0.300 1 798 71 71 GLY H H 8.084 0.030 1 799 71 71 GLY HA2 H 3.763 0.030 2 800 71 71 GLY HA3 H 4.308 0.030 2 801 71 71 GLY C C 174.281 0.300 1 802 71 71 GLY CA C 45.237 0.300 1 803 71 71 GLY N N 114.826 0.300 1 804 72 72 LEU H H 7.886 0.030 1 805 72 72 LEU HA H 4.465 0.030 1 806 72 72 LEU HB2 H 2.153 0.030 2 807 72 72 LEU HB3 H 1.772 0.030 2 808 72 72 LEU HG H 1.618 0.030 1 809 72 72 LEU HD1 H 0.916 0.030 1 810 72 72 LEU HD2 H 1.257 0.030 1 811 72 72 LEU C C 176.322 0.300 1 812 72 72 LEU CA C 55.091 0.300 1 813 72 72 LEU CB C 41.970 0.300 1 814 72 72 LEU CG C 26.919 0.300 1 815 72 72 LEU CD1 C 21.714 0.300 2 816 72 72 LEU CD2 C 27.231 0.300 2 817 72 72 LEU N N 120.531 0.300 1 818 73 73 ARG H H 8.904 0.030 1 819 73 73 ARG HA H 4.360 0.030 1 820 73 73 ARG HB2 H 1.905 0.030 2 821 73 73 ARG HB3 H 1.322 0.030 2 822 73 73 ARG HG2 H 1.637 0.030 2 823 73 73 ARG HG3 H 1.743 0.030 2 824 73 73 ARG HD2 H 3.014 0.030 2 825 73 73 ARG HD3 H 3.204 0.030 2 826 73 73 ARG HE H 7.234 0.030 1 827 73 73 ARG C C 174.051 0.300 1 828 73 73 ARG CA C 57.054 0.300 1 829 73 73 ARG CB C 32.719 0.300 1 830 73 73 ARG CG C 28.038 0.300 1 831 73 73 ARG CD C 44.055 0.300 1 832 73 73 ARG N N 118.485 0.300 1 833 73 73 ARG NE N 85.723 0.300 1 834 74 74 VAL H H 8.047 0.030 1 835 74 74 VAL HA H 4.442 0.030 1 836 74 74 VAL HB H 1.257 0.030 1 837 74 74 VAL HG1 H 0.044 0.030 1 838 74 74 VAL HG2 H 0.672 0.030 1 839 74 74 VAL C C 174.265 0.300 1 840 74 74 VAL CA C 61.202 0.300 1 841 74 74 VAL CB C 34.169 0.300 1 842 74 74 VAL CG1 C 21.067 0.300 2 843 74 74 VAL CG2 C 22.101 0.300 2 844 74 74 VAL N N 119.889 0.300 1 845 75 75 TYR H H 9.605 0.030 1 846 75 75 TYR HA H 5.502 0.030 1 847 75 75 TYR HB2 H 2.737 0.030 2 848 75 75 TYR HB3 H 2.862 0.030 2 849 75 75 TYR HD1 H 6.902 0.030 1 850 75 75 TYR HD2 H 6.902 0.030 1 851 75 75 TYR HE1 H 6.661 0.030 1 852 75 75 TYR HE2 H 6.661 0.030 1 853 75 75 TYR C C 174.149 0.300 1 854 75 75 TYR CA C 55.890 0.300 1 855 75 75 TYR CB C 42.704 0.300 1 856 75 75 TYR CD1 C 133.189 0.300 1 857 75 75 TYR CD2 C 133.189 0.300 1 858 75 75 TYR CE1 C 117.865 0.300 1 859 75 75 TYR CE2 C 117.865 0.300 1 860 75 75 TYR N N 124.558 0.300 1 861 76 76 ALA H H 9.121 0.030 1 862 76 76 ALA HA H 5.117 0.030 1 863 76 76 ALA HB H 1.470 0.030 1 864 76 76 ALA C C 176.223 0.300 1 865 76 76 ALA CA C 49.986 0.300 1 866 76 76 ALA CB C 24.141 0.300 1 867 76 76 ALA N N 121.140 0.300 1 868 77 77 GLU H H 8.772 0.030 1 869 77 77 GLU HA H 4.986 0.030 1 870 77 77 GLU HB2 H 2.075 0.030 2 871 77 77 GLU HB3 H 2.160 0.030 2 872 77 77 GLU HG2 H 2.379 0.030 2 873 77 77 GLU HG3 H 2.299 0.030 2 874 77 77 GLU CA C 55.969 0.300 1 875 77 77 GLU CB C 30.777 0.300 1 876 77 77 GLU CG C 37.919 0.300 1 877 77 77 GLU N N 121.667 0.300 1 878 78 78 VAL H H 8.684 0.030 1 879 78 78 VAL HA H 4.048 0.030 1 880 78 78 VAL HB H 2.065 0.030 1 881 78 78 VAL HG1 H 0.949 0.030 1 882 78 78 VAL HG2 H 0.937 0.030 1 883 78 78 VAL C C 176.749 0.300 1 884 78 78 VAL CA C 63.503 0.300 1 885 78 78 VAL CB C 33.419 0.300 1 886 78 78 VAL CG1 C 21.396 0.300 2 887 78 78 VAL CG2 C 21.564 0.300 2 888 78 78 VAL N N 124.537 0.300 1 889 79 79 ALA H H 9.009 0.030 1 890 79 79 ALA HA H 4.298 0.030 1 891 79 79 ALA HB H 1.420 0.030 1 892 79 79 ALA C C 177.901 0.300 1 893 79 79 ALA CA C 53.316 0.300 1 894 79 79 ALA CB C 18.987 0.300 1 895 79 79 ALA N N 123.570 0.300 1 896 80 80 ASP H H 8.182 0.030 1 897 80 80 ASP HA H 4.540 0.030 1 898 80 80 ASP HB2 H 2.803 0.030 1 899 80 80 ASP HB3 H 2.803 0.030 1 900 80 80 ASP C C 176.141 0.300 1 901 80 80 ASP CA C 54.583 0.300 1 902 80 80 ASP CB C 41.333 0.300 1 903 80 80 ASP N N 118.103 0.300 1 904 81 81 LEU H H 7.711 0.030 1 905 81 81 LEU HA H 4.473 0.030 1 906 81 81 LEU HB2 H 1.524 0.030 2 907 81 81 LEU HB3 H 1.694 0.030 2 908 81 81 LEU HG H 1.772 0.030 1 909 81 81 LEU HD1 H 0.921 0.030 1 910 81 81 LEU HD2 H 0.865 0.030 1 911 81 81 LEU CA C 53.128 0.300 1 912 81 81 LEU CB C 41.277 0.300 1 913 81 81 LEU CG C 26.737 0.300 1 914 81 81 LEU CD1 C 25.606 0.300 2 915 81 81 LEU CD2 C 23.351 0.300 2 916 81 81 LEU N N 121.394 0.300 1 917 82 82 PRO HA H 4.673 0.030 1 918 82 82 PRO HB2 H 2.273 0.030 2 919 82 82 PRO HB3 H 1.840 0.030 2 920 82 82 PRO HG2 H 1.933 0.030 2 921 82 82 PRO HG3 H 2.011 0.030 2 922 82 82 PRO HD2 H 3.761 0.030 2 923 82 82 PRO HD3 H 3.579 0.030 2 924 82 82 PRO CA C 61.407 0.300 1 925 82 82 PRO CB C 30.669 0.300 1 926 82 82 PRO CG C 27.305 0.300 1 927 82 82 PRO CD C 50.204 0.300 1 928 83 83 PRO HA H 4.406 0.030 1 929 83 83 PRO HB2 H 2.272 0.030 2 930 83 83 PRO HB3 H 1.931 0.030 2 931 83 83 PRO HG2 H 2.011 0.030 1 932 83 83 PRO HG3 H 2.011 0.030 1 933 83 83 PRO HD2 H 3.768 0.030 2 934 83 83 PRO HD3 H 3.599 0.030 2 935 83 83 PRO C C 176.799 0.300 1 936 83 83 PRO CA C 62.793 0.300 1 937 83 83 PRO CB C 32.046 0.300 1 938 83 83 PRO CG C 27.389 0.300 1 939 83 83 PRO CD C 50.350 0.300 1 940 84 84 LEU H H 8.344 0.030 1 941 84 84 LEU HA H 4.290 0.030 1 942 84 84 LEU HB2 H 1.605 0.030 1 943 84 84 LEU HB3 H 1.605 0.030 1 944 84 84 LEU HG H 1.667 0.030 1 945 84 84 LEU HD1 H 0.910 0.030 1 946 84 84 LEU HD2 H 0.857 0.030 1 947 84 84 LEU C C 176.503 0.300 1 948 84 84 LEU CA C 55.316 0.300 1 949 84 84 LEU CB C 42.481 0.300 1 950 84 84 LEU CG C 26.964 0.300 1 951 84 84 LEU CD1 C 25.038 0.300 2 952 84 84 LEU CD2 C 23.589 0.300 2 953 84 84 LEU N N 123.061 0.300 1 954 85 85 GLU H H 7.825 0.030 1 955 85 85 GLU HA H 4.117 0.030 1 956 85 85 GLU HB2 H 1.860 0.030 2 957 85 85 GLU HB3 H 2.018 0.030 2 958 85 85 GLU HG2 H 2.146 0.030 1 959 85 85 GLU HG3 H 2.146 0.030 1 960 85 85 GLU CA C 57.791 0.300 1 961 85 85 GLU CB C 31.442 0.300 1 962 85 85 GLU CG C 36.527 0.300 1 963 85 85 GLU N N 126.014 0.300 1 stop_ save_