data_11092 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the chromo domain of Mortality factor 4-like protein 1 from human ; _BMRB_accession_number 11092 _BMRB_flat_file_name bmr11092.str _Entry_type original _Submission_date 2010-01-18 _Accession_date 2010-01-19 _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 Li H. . . 2 Sato M. . . 3 Tochio N. . . 4 Tomizawa T. . . 5 Koshiba S. . . 6 Harada T. . . 7 Watanabe S. . . 8 Kigawa T. . . 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" 612 "13C chemical shifts" 439 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-19 original author . stop_ _Original_release_date 2011-01-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the chromo domain of Mortality factor 4-like protein 1 from human ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Sato M. . . 3 Tochio N. . . 4 Tomizawa T. . . 5 Koshiba S. . . 6 Harada T. . . 7 Watanabe S. . . 8 Kigawa T. . . 9 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mortality factor 4-like protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Chromo domain' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Chromo domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GSSGSSGMAPKQDPKPKFQE GERVLCFHGPLLYEAKCVKV AIKDKQVKYFIHYSGWNKNW DEWVPESRVLKYVDTNLQKQ RELQKANQEQYAEGKMRGAA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 ALA 10 PRO 11 LYS 12 GLN 13 ASP 14 PRO 15 LYS 16 PRO 17 LYS 18 PHE 19 GLN 20 GLU 21 GLY 22 GLU 23 ARG 24 VAL 25 LEU 26 CYS 27 PHE 28 HIS 29 GLY 30 PRO 31 LEU 32 LEU 33 TYR 34 GLU 35 ALA 36 LYS 37 CYS 38 VAL 39 LYS 40 VAL 41 ALA 42 ILE 43 LYS 44 ASP 45 LYS 46 GLN 47 VAL 48 LYS 49 TYR 50 PHE 51 ILE 52 HIS 53 TYR 54 SER 55 GLY 56 TRP 57 ASN 58 LYS 59 ASN 60 TRP 61 ASP 62 GLU 63 TRP 64 VAL 65 PRO 66 GLU 67 SER 68 ARG 69 VAL 70 LEU 71 LYS 72 TYR 73 VAL 74 ASP 75 THR 76 ASN 77 LEU 78 GLN 79 LYS 80 GLN 81 ARG 82 GLU 83 LEU 84 GLN 85 LYS 86 ALA 87 ASN 88 GLN 89 GLU 90 GLN 91 TYR 92 ALA 93 GLU 94 GLY 95 LYS 96 MET 97 ARG 98 GLY 99 ALA 100 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 PDB 2EFI "Solution Structure Of The Chromo Domain Of Mortality Factor 4-Like Protein 1 From Human" 100.00 100 100.00 100.00 2.58e-67 PDB 2F5K "Crystal Structure Of The Chromo Domain Of Human Mrg15" 90.00 102 100.00 100.00 5.32e-60 DBJ BAB30219 "unnamed protein product [Mus musculus]" 93.00 323 100.00 100.00 1.41e-60 DBJ BAB58904 "MRG15 [Mus musculus]" 93.00 323 100.00 100.00 1.41e-60 DBJ BAE00783 "unnamed protein product [Macaca fascicularis]" 93.00 323 100.00 100.00 1.49e-60 DBJ BAE26980 "unnamed protein product [Mus musculus]" 93.00 323 100.00 100.00 1.41e-60 DBJ BAE27430 "unnamed protein product [Mus musculus]" 84.00 314 98.81 100.00 1.31e-52 EMBL CAB70879 "hypothetical protein [Homo sapiens]" 93.00 324 100.00 100.00 1.58e-60 EMBL CAI29614 "hypothetical protein [Pongo abelii]" 93.00 323 98.92 100.00 7.88e-60 GB AAD20970 "HSPC008 [Homo sapiens]" 93.00 323 100.00 100.00 1.41e-60 GB AAD29872 "MRG15 protein [Homo sapiens]" 93.00 323 100.00 100.00 1.41e-60 GB AAF29033 "HSPC061 [Homo sapiens]" 93.00 323 100.00 100.00 1.41e-60 GB AAF80854 "MSL3-1 protein [Homo sapiens]" 93.00 323 100.00 100.00 1.41e-60 GB AAG17253 "unknown [Homo sapiens]" 93.00 311 100.00 100.00 1.01e-60 REF NP_001011999 "mortality factor 4-like protein 1 [Rattus norvegicus]" 93.00 323 98.92 98.92 8.87e-60 REF NP_001030525 "mortality factor 4-like protein 1 [Bos taurus]" 81.00 296 98.77 98.77 2.49e-50 REF NP_001032250 "mortality factor 4 like 1 isoform 1 [Gallus gallus]" 93.00 344 98.92 100.00 1.06e-59 REF NP_001032253 "mortality factor 4 like 1 isoform 2 [Gallus gallus]" 93.00 323 98.92 100.00 4.60e-60 REF NP_001127679 "mortality factor 4-like protein 1 [Pongo abelii]" 93.00 323 98.92 100.00 7.88e-60 SP Q5NVP9 "RecName: Full=Mortality factor 4-like protein 1" 93.00 323 98.92 100.00 7.88e-60 SP Q6AYU1 "RecName: Full=Mortality factor 4-like protein 1; AltName: Full=MORF-related gene 15 protein; AltName: Full=Transcription factor" 93.00 323 98.92 98.92 8.87e-60 TPG DAA17605 "TPA: MORF-related gene 15 [Bos taurus]" 81.00 296 100.00 100.00 1.03e-51 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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 $entity_1 'Cell free synthesis' 'E. coli' Escherichia coli . P060522-07 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.13mM Chromo domain [U-15N, 13C], 20mM d-Tris-HCl(pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.13 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9827 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' 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_ ####################### # 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 7.0 0.05 pH pressure 1 0.001 atm temperature 296 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_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ 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 'Chromo domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.959 0.030 1 2 7 7 GLY HA3 H 3.959 0.030 1 3 7 7 GLY C C 174.017 0.300 1 4 7 7 GLY CA C 45.421 0.300 1 5 8 8 MET H H 8.120 0.030 1 6 8 8 MET HA H 4.473 0.030 1 7 8 8 MET HB2 H 2.058 0.030 2 8 8 8 MET HB3 H 1.955 0.030 2 9 8 8 MET HE H 2.090 0.030 1 10 8 8 MET HG2 H 2.515 0.030 2 11 8 8 MET HG3 H 2.571 0.030 2 12 8 8 MET C C 175.715 0.300 1 13 8 8 MET CA C 55.097 0.300 1 14 8 8 MET CB C 33.003 0.300 1 15 8 8 MET CE C 16.950 0.300 1 16 8 8 MET CG C 32.017 0.300 1 17 8 8 MET N N 119.727 0.300 1 18 9 9 ALA H H 8.336 0.030 1 19 9 9 ALA HA H 4.577 0.030 1 20 9 9 ALA HB H 1.353 0.030 1 21 9 9 ALA C C 175.462 0.300 1 22 9 9 ALA CA C 50.663 0.300 1 23 9 9 ALA CB C 18.029 0.300 1 24 9 9 ALA N N 127.090 0.300 1 25 10 10 PRO HA H 4.410 0.030 1 26 10 10 PRO HB2 H 1.875 0.030 2 27 10 10 PRO HB3 H 2.298 0.030 2 28 10 10 PRO HD2 H 3.634 0.030 2 29 10 10 PRO HD3 H 3.796 0.030 2 30 10 10 PRO HG2 H 2.014 0.030 1 31 10 10 PRO HG3 H 2.014 0.030 1 32 10 10 PRO CA C 62.931 0.300 1 33 10 10 PRO CB C 32.148 0.300 1 34 10 10 PRO CD C 50.493 0.300 1 35 10 10 PRO CG C 27.460 0.300 1 36 11 11 LYS H H 8.436 0.030 1 37 11 11 LYS HA H 4.265 0.030 1 38 11 11 LYS HB2 H 1.814 0.030 2 39 11 11 LYS HB3 H 1.739 0.030 2 40 11 11 LYS HD2 H 1.686 0.030 1 41 11 11 LYS HD3 H 1.686 0.030 1 42 11 11 LYS HE2 H 2.969 0.030 1 43 11 11 LYS HE3 H 2.969 0.030 1 44 11 11 LYS HG2 H 1.476 0.030 2 45 11 11 LYS HG3 H 1.444 0.030 2 46 11 11 LYS C C 176.528 0.300 1 47 11 11 LYS CA C 56.303 0.300 1 48 11 11 LYS CB C 33.038 0.300 1 49 11 11 LYS CD C 29.108 0.300 1 50 11 11 LYS CE C 42.138 0.300 1 51 11 11 LYS CG C 24.799 0.300 1 52 11 11 LYS N N 121.786 0.300 1 53 12 12 GLN H H 8.394 0.030 1 54 12 12 GLN HA H 4.358 0.030 1 55 12 12 GLN HB2 H 1.918 0.030 2 56 12 12 GLN HB3 H 2.075 0.030 2 57 12 12 GLN HE21 H 6.883 0.030 2 58 12 12 GLN HE22 H 7.567 0.030 2 59 12 12 GLN HG2 H 2.339 0.030 1 60 12 12 GLN HG3 H 2.339 0.030 1 61 12 12 GLN C C 175.416 0.300 1 62 12 12 GLN CA C 55.156 0.300 1 63 12 12 GLN CB C 30.043 0.300 1 64 12 12 GLN CG C 33.743 0.300 1 65 12 12 GLN N N 121.448 0.300 1 66 12 12 GLN NE2 N 112.660 0.300 1 67 13 13 ASP H H 8.446 0.030 1 68 13 13 ASP HA H 4.787 0.030 1 69 13 13 ASP HB2 H 2.435 0.030 2 70 13 13 ASP HB3 H 2.585 0.030 2 71 13 13 ASP C C 174.129 0.300 1 72 13 13 ASP CA C 52.985 0.300 1 73 13 13 ASP CB C 40.322 0.300 1 74 13 13 ASP N N 123.418 0.300 1 75 14 14 PRO HA H 4.411 0.030 1 76 14 14 PRO HB2 H 2.223 0.030 2 77 14 14 PRO HB3 H 1.763 0.030 2 78 14 14 PRO HD2 H 3.531 0.030 2 79 14 14 PRO HD3 H 3.695 0.030 2 80 14 14 PRO HG2 H 1.875 0.030 1 81 14 14 PRO HG3 H 1.875 0.030 1 82 14 14 PRO C C 175.462 0.300 1 83 14 14 PRO CA C 62.458 0.300 1 84 14 14 PRO CB C 32.368 0.300 1 85 14 14 PRO CD C 50.280 0.300 1 86 14 14 PRO CG C 27.291 0.300 1 87 15 15 LYS H H 8.394 0.030 1 88 15 15 LYS HA H 4.687 0.030 1 89 15 15 LYS HB2 H 1.756 0.030 2 90 15 15 LYS HB3 H 1.689 0.030 2 91 15 15 LYS HD2 H 1.660 0.030 1 92 15 15 LYS HD3 H 1.660 0.030 1 93 15 15 LYS HE2 H 2.985 0.030 1 94 15 15 LYS HE3 H 2.985 0.030 1 95 15 15 LYS HG2 H 1.449 0.030 2 96 15 15 LYS HG3 H 1.365 0.030 2 97 15 15 LYS CA C 52.975 0.300 1 98 15 15 LYS CB C 32.764 0.300 1 99 15 15 LYS CD C 28.958 0.300 1 100 15 15 LYS CE C 42.315 0.300 1 101 15 15 LYS CG C 24.609 0.300 1 102 15 15 LYS N N 121.450 0.300 1 103 16 16 PRO HA H 4.492 0.030 1 104 16 16 PRO HB2 H 2.347 0.030 2 105 16 16 PRO HB3 H 2.705 0.030 2 106 16 16 PRO HD2 H 3.711 0.030 2 107 16 16 PRO HD3 H 3.955 0.030 2 108 16 16 PRO HG2 H 1.795 0.030 2 109 16 16 PRO HG3 H 2.252 0.030 2 110 16 16 PRO C C 177.389 0.300 1 111 16 16 PRO CA C 63.647 0.300 1 112 16 16 PRO CB C 32.806 0.300 1 113 16 16 PRO CD C 51.223 0.300 1 114 16 16 PRO CG C 27.987 0.300 1 115 17 17 LYS H H 8.817 0.030 1 116 17 17 LYS HA H 3.907 0.030 1 117 17 17 LYS HB2 H 1.136 0.030 2 118 17 17 LYS HB3 H 1.388 0.030 2 119 17 17 LYS HD2 H 1.578 0.030 2 120 17 17 LYS HD3 H 1.529 0.030 2 121 17 17 LYS HE2 H 2.946 0.030 1 122 17 17 LYS HE3 H 2.946 0.030 1 123 17 17 LYS HG2 H 1.013 0.030 2 124 17 17 LYS HG3 H 1.419 0.030 2 125 17 17 LYS C C 175.464 0.300 1 126 17 17 LYS CA C 57.806 0.300 1 127 17 17 LYS CB C 33.925 0.300 1 128 17 17 LYS CD C 29.385 0.300 1 129 17 17 LYS CE C 42.138 0.300 1 130 17 17 LYS CG C 25.782 0.300 1 131 17 17 LYS N N 123.173 0.300 1 132 18 18 PHE H H 7.906 0.030 1 133 18 18 PHE HA H 4.849 0.030 1 134 18 18 PHE HB2 H 2.343 0.030 2 135 18 18 PHE HB3 H 2.616 0.030 2 136 18 18 PHE HD1 H 6.927 0.030 1 137 18 18 PHE HD2 H 6.927 0.030 1 138 18 18 PHE HE1 H 7.013 0.030 1 139 18 18 PHE HE2 H 7.013 0.030 1 140 18 18 PHE HZ H 7.044 0.030 1 141 18 18 PHE C C 173.850 0.300 1 142 18 18 PHE CA C 55.800 0.300 1 143 18 18 PHE CB C 40.905 0.300 1 144 18 18 PHE CD1 C 132.418 0.300 1 145 18 18 PHE CD2 C 132.418 0.300 1 146 18 18 PHE CE1 C 130.716 0.300 1 147 18 18 PHE CE2 C 130.716 0.300 1 148 18 18 PHE CZ C 129.525 0.300 1 149 18 18 PHE N N 117.013 0.300 1 150 19 19 GLN H H 8.585 0.030 1 151 19 19 GLN HA H 4.752 0.030 1 152 19 19 GLN HB2 H 1.960 0.030 2 153 19 19 GLN HB3 H 2.126 0.030 2 154 19 19 GLN HE21 H 7.584 0.030 2 155 19 19 GLN HE22 H 6.816 0.030 2 156 19 19 GLN HG2 H 2.339 0.030 2 157 19 19 GLN HG3 H 2.427 0.030 2 158 19 19 GLN C C 175.580 0.300 1 159 19 19 GLN CA C 53.267 0.300 1 160 19 19 GLN CB C 32.858 0.300 1 161 19 19 GLN CG C 33.990 0.300 1 162 19 19 GLN N N 116.856 0.300 1 163 19 19 GLN NE2 N 112.665 0.300 1 164 20 20 GLU H H 8.839 0.030 1 165 20 20 GLU HA H 3.707 0.030 1 166 20 20 GLU HB2 H 2.022 0.030 2 167 20 20 GLU HB3 H 1.933 0.030 2 168 20 20 GLU HG2 H 2.158 0.030 2 169 20 20 GLU HG3 H 2.441 0.030 2 170 20 20 GLU C C 177.705 0.300 1 171 20 20 GLU CA C 59.071 0.300 1 172 20 20 GLU CB C 29.138 0.300 1 173 20 20 GLU CG C 37.271 0.300 1 174 20 20 GLU N N 120.665 0.300 1 175 21 21 GLY H H 9.374 0.030 1 176 21 21 GLY HA2 H 3.535 0.030 2 177 21 21 GLY HA3 H 4.344 0.030 2 178 21 21 GLY C C 173.565 0.300 1 179 21 21 GLY CA C 45.034 0.300 1 180 21 21 GLY N N 114.917 0.300 1 181 22 22 GLU H H 8.057 0.030 1 182 22 22 GLU HA H 4.053 0.030 1 183 22 22 GLU HB2 H 2.064 0.030 2 184 22 22 GLU HB3 H 2.225 0.030 2 185 22 22 GLU HG2 H 2.385 0.030 2 186 22 22 GLU HG3 H 2.353 0.030 2 187 22 22 GLU C C 175.647 0.300 1 188 22 22 GLU CA C 57.595 0.300 1 189 22 22 GLU CB C 32.099 0.300 1 190 22 22 GLU CG C 35.538 0.300 1 191 22 22 GLU N N 123.458 0.300 1 192 23 23 ARG H H 8.505 0.030 1 193 23 23 ARG HA H 4.666 0.030 1 194 23 23 ARG HB2 H 1.649 0.030 1 195 23 23 ARG HB3 H 1.649 0.030 1 196 23 23 ARG HD2 H 2.467 0.030 1 197 23 23 ARG HD3 H 2.467 0.030 1 198 23 23 ARG HG2 H 1.503 0.030 2 199 23 23 ARG HG3 H 0.966 0.030 2 200 23 23 ARG C C 174.904 0.300 1 201 23 23 ARG CA C 56.117 0.300 1 202 23 23 ARG CB C 30.362 0.300 1 203 23 23 ARG CD C 43.529 0.300 1 204 23 23 ARG CG C 26.150 0.300 1 205 23 23 ARG N N 127.958 0.300 1 206 24 24 VAL H H 8.741 0.030 1 207 24 24 VAL HA H 4.849 0.030 1 208 24 24 VAL HB H 2.053 0.030 1 209 24 24 VAL HG1 H 0.429 0.030 1 210 24 24 VAL HG2 H 0.107 0.030 1 211 24 24 VAL C C 174.354 0.300 1 212 24 24 VAL CA C 59.741 0.300 1 213 24 24 VAL CB C 35.784 0.300 1 214 24 24 VAL CG1 C 23.025 0.300 2 215 24 24 VAL CG2 C 17.627 0.300 2 216 24 24 VAL N N 120.486 0.300 1 217 25 25 LEU H H 8.357 0.030 1 218 25 25 LEU HA H 5.023 0.030 1 219 25 25 LEU HB2 H 1.336 0.030 2 220 25 25 LEU HB3 H 0.893 0.030 2 221 25 25 LEU HD1 H 0.489 0.030 1 222 25 25 LEU HD2 H 0.617 0.030 1 223 25 25 LEU HG H 1.432 0.030 1 224 25 25 LEU C C 174.643 0.300 1 225 25 25 LEU CA C 53.267 0.300 1 226 25 25 LEU CB C 45.344 0.300 1 227 25 25 LEU CD1 C 26.740 0.300 2 228 25 25 LEU CD2 C 23.411 0.300 2 229 25 25 LEU CG C 27.000 0.300 1 230 25 25 LEU N N 118.085 0.300 1 231 26 26 CYS H H 9.164 0.030 1 232 26 26 CYS HA H 5.334 0.030 1 233 26 26 CYS HB2 H 1.923 0.030 2 234 26 26 CYS HB3 H 2.592 0.030 2 235 26 26 CYS C C 174.953 0.300 1 236 26 26 CYS CA C 56.469 0.300 1 237 26 26 CYS CB C 30.207 0.300 1 238 26 26 CYS N N 121.070 0.300 1 239 27 27 PHE H H 9.157 0.030 1 240 27 27 PHE HA H 5.215 0.030 1 241 27 27 PHE HB2 H 2.807 0.030 2 242 27 27 PHE HB3 H 3.364 0.030 2 243 27 27 PHE HD1 H 7.186 0.030 1 244 27 27 PHE HD2 H 7.186 0.030 1 245 27 27 PHE HE1 H 7.203 0.030 1 246 27 27 PHE HE2 H 7.203 0.030 1 247 27 27 PHE HZ H 7.163 0.030 1 248 27 27 PHE C C 177.122 0.300 1 249 27 27 PHE CA C 59.635 0.300 1 250 27 27 PHE CB C 40.733 0.300 1 251 27 27 PHE CD1 C 132.379 0.300 1 252 27 27 PHE CD2 C 132.379 0.300 1 253 27 27 PHE CE1 C 131.783 0.300 1 254 27 27 PHE CE2 C 131.783 0.300 1 255 27 27 PHE CZ C 129.270 0.300 1 256 27 27 PHE N N 129.689 0.300 1 257 28 28 HIS H H 9.070 0.030 1 258 28 28 HIS HA H 4.630 0.030 1 259 28 28 HIS HB2 H 3.140 0.030 2 260 28 28 HIS HB3 H 2.897 0.030 2 261 28 28 HIS HD2 H 7.001 0.030 1 262 28 28 HIS HE1 H 7.777 0.030 1 263 28 28 HIS C C 175.874 0.300 1 264 28 28 HIS CA C 58.017 0.300 1 265 28 28 HIS CB C 30.207 0.300 1 266 28 28 HIS CE1 C 137.292 0.300 1 267 28 28 HIS N N 123.869 0.300 1 268 29 29 GLY H H 8.895 0.030 1 269 29 29 GLY HA2 H 3.521 0.030 2 270 29 29 GLY HA3 H 4.308 0.030 2 271 29 29 GLY CA C 44.681 0.300 1 272 29 29 GLY N N 118.993 0.300 1 273 30 30 PRO HA H 4.617 0.030 1 274 30 30 PRO HB2 H 2.065 0.030 2 275 30 30 PRO HB3 H 2.219 0.030 2 276 30 30 PRO HD2 H 3.636 0.030 2 277 30 30 PRO HD3 H 3.883 0.030 2 278 30 30 PRO HG2 H 1.803 0.030 2 279 30 30 PRO HG3 H 2.048 0.030 2 280 30 30 PRO C C 175.556 0.300 1 281 30 30 PRO CA C 63.541 0.300 1 282 30 30 PRO CB C 32.563 0.300 1 283 30 30 PRO CD C 49.697 0.300 1 284 30 30 PRO CG C 26.398 0.300 1 285 31 31 LEU H H 7.009 0.030 1 286 31 31 LEU HA H 4.586 0.030 1 287 31 31 LEU HB2 H 1.837 0.030 2 288 31 31 LEU HB3 H 1.141 0.030 2 289 31 31 LEU HD1 H 0.990 0.030 1 290 31 31 LEU HD2 H 0.849 0.030 1 291 31 31 LEU HG H 1.534 0.030 1 292 31 31 LEU C C 174.285 0.300 1 293 31 31 LEU CA C 53.978 0.300 1 294 31 31 LEU CB C 44.573 0.300 1 295 31 31 LEU CD1 C 25.849 0.300 2 296 31 31 LEU CD2 C 24.287 0.300 2 297 31 31 LEU CG C 28.047 0.300 1 298 31 31 LEU N N 116.908 0.300 1 299 32 32 LEU H H 7.590 0.030 1 300 32 32 LEU HA H 4.314 0.030 1 301 32 32 LEU HB2 H 0.747 0.030 2 302 32 32 LEU HB3 H 1.192 0.030 2 303 32 32 LEU HD1 H 0.233 0.030 1 304 32 32 LEU HD2 H -0.397 0.030 1 305 32 32 LEU HG H 0.698 0.030 1 306 32 32 LEU C C 176.839 0.300 1 307 32 32 LEU CA C 53.232 0.300 1 308 32 32 LEU CB C 46.490 0.300 1 309 32 32 LEU CD1 C 24.780 0.300 2 310 32 32 LEU CD2 C 22.512 0.300 2 311 32 32 LEU CG C 26.758 0.300 1 312 32 32 LEU N N 117.255 0.300 1 313 33 33 TYR H H 8.632 0.030 1 314 33 33 TYR HA H 4.580 0.030 1 315 33 33 TYR HB2 H 2.593 0.030 2 316 33 33 TYR HB3 H 3.214 0.030 2 317 33 33 TYR HD1 H 7.187 0.030 1 318 33 33 TYR HD2 H 7.187 0.030 1 319 33 33 TYR HE1 H 7.014 0.030 1 320 33 33 TYR HE2 H 7.014 0.030 1 321 33 33 TYR C C 175.213 0.300 1 322 33 33 TYR CA C 57.309 0.300 1 323 33 33 TYR CB C 42.422 0.300 1 324 33 33 TYR CD1 C 133.692 0.300 1 325 33 33 TYR CD2 C 133.692 0.300 1 326 33 33 TYR CE1 C 118.424 0.300 1 327 33 33 TYR CE2 C 118.424 0.300 1 328 33 33 TYR N N 120.963 0.300 1 329 34 34 GLU H H 8.997 0.030 1 330 34 34 GLU HA H 4.461 0.030 1 331 34 34 GLU HB2 H 2.017 0.030 2 332 34 34 GLU HB3 H 2.221 0.030 2 333 34 34 GLU HG2 H 2.323 0.030 1 334 34 34 GLU HG3 H 2.323 0.030 1 335 34 34 GLU C C 175.547 0.300 1 336 34 34 GLU CA C 57.911 0.300 1 337 34 34 GLU CB C 29.385 0.300 1 338 34 34 GLU CG C 36.951 0.300 1 339 34 34 GLU N N 123.146 0.300 1 340 35 35 ALA H H 9.034 0.030 1 341 35 35 ALA HA H 4.788 0.030 1 342 35 35 ALA HB H 0.783 0.030 1 343 35 35 ALA C C 174.971 0.300 1 344 35 35 ALA CA C 51.121 0.300 1 345 35 35 ALA CB C 24.108 0.300 1 346 35 35 ALA N N 129.599 0.300 1 347 36 36 LYS H H 8.500 0.030 1 348 36 36 LYS HA H 5.042 0.030 1 349 36 36 LYS HB2 H 1.607 0.030 2 350 36 36 LYS HB3 H 1.484 0.030 2 351 36 36 LYS HD2 H 1.553 0.030 1 352 36 36 LYS HD3 H 1.553 0.030 1 353 36 36 LYS HE2 H 2.852 0.030 1 354 36 36 LYS HE3 H 2.852 0.030 1 355 36 36 LYS HG2 H 1.147 0.030 2 356 36 36 LYS HG3 H 1.080 0.030 2 357 36 36 LYS C C 175.516 0.300 1 358 36 36 LYS CA C 54.358 0.300 1 359 36 36 LYS CB C 36.423 0.300 1 360 36 36 LYS CD C 29.221 0.300 1 361 36 36 LYS CE C 41.802 0.300 1 362 36 36 LYS CG C 24.698 0.300 1 363 36 36 LYS N N 119.167 0.300 1 364 37 37 CYS H H 8.267 0.030 1 365 37 37 CYS HA H 4.297 0.030 1 366 37 37 CYS HB2 H 2.794 0.030 2 367 37 37 CYS HB3 H 2.700 0.030 2 368 37 37 CYS C C 174.185 0.300 1 369 37 37 CYS CA C 58.721 0.300 1 370 37 37 CYS CB C 26.342 0.300 1 371 37 37 CYS N N 122.553 0.300 1 372 38 38 VAL H H 9.486 0.030 1 373 38 38 VAL HA H 3.994 0.030 1 374 38 38 VAL HB H 2.042 0.030 1 375 38 38 VAL HG1 H 0.968 0.030 1 376 38 38 VAL HG2 H 0.875 0.030 1 377 38 38 VAL C C 176.051 0.300 1 378 38 38 VAL CA C 64.737 0.300 1 379 38 38 VAL CB C 33.166 0.300 1 380 38 38 VAL CG1 C 21.266 0.300 2 381 38 38 VAL CG2 C 22.307 0.300 2 382 38 38 VAL N N 130.015 0.300 1 383 39 39 LYS H H 7.510 0.030 1 384 39 39 LYS HA H 4.887 0.030 1 385 39 39 LYS HB2 H 1.570 0.030 2 386 39 39 LYS HB3 H 1.937 0.030 2 387 39 39 LYS HD2 H 1.763 0.030 2 388 39 39 LYS HD3 H 1.550 0.030 2 389 39 39 LYS HE2 H 2.867 0.030 1 390 39 39 LYS HE3 H 2.867 0.030 1 391 39 39 LYS HG2 H 1.394 0.030 2 392 39 39 LYS HG3 H 1.505 0.030 2 393 39 39 LYS C C 174.327 0.300 1 394 39 39 LYS CA C 54.604 0.300 1 395 39 39 LYS CB C 37.678 0.300 1 396 39 39 LYS CD C 29.056 0.300 1 397 39 39 LYS CE C 42.131 0.300 1 398 39 39 LYS CG C 25.196 0.300 1 399 39 39 LYS N N 114.272 0.300 1 400 40 40 VAL H H 9.065 0.030 1 401 40 40 VAL HA H 4.760 0.030 1 402 40 40 VAL HB H 2.051 0.030 1 403 40 40 VAL HG1 H 0.914 0.030 1 404 40 40 VAL HG2 H 1.061 0.030 1 405 40 40 VAL C C 174.852 0.300 1 406 40 40 VAL CA C 61.465 0.300 1 407 40 40 VAL CB C 34.638 0.300 1 408 40 40 VAL CG1 C 20.846 0.300 2 409 40 40 VAL CG2 C 21.228 0.300 2 410 40 40 VAL N N 123.508 0.300 1 411 41 41 ALA H H 9.186 0.030 1 412 41 41 ALA HA H 4.754 0.030 1 413 41 41 ALA HB H 1.144 0.030 1 414 41 41 ALA C C 174.683 0.300 1 415 41 41 ALA CA C 51.578 0.300 1 416 41 41 ALA CB C 23.471 0.300 1 417 41 41 ALA N N 129.483 0.300 1 418 42 42 ILE H H 8.426 0.030 1 419 42 42 ILE HA H 4.683 0.030 1 420 42 42 ILE HB H 1.714 0.030 1 421 42 42 ILE HD1 H 0.801 0.030 1 422 42 42 ILE HG12 H 1.479 0.030 2 423 42 42 ILE HG13 H 0.967 0.030 2 424 42 42 ILE HG2 H 0.645 0.030 1 425 42 42 ILE C C 175.860 0.300 1 426 42 42 ILE CA C 60.093 0.300 1 427 42 42 ILE CB C 38.546 0.300 1 428 42 42 ILE CD1 C 13.394 0.300 1 429 42 42 ILE CG1 C 27.865 0.300 1 430 42 42 ILE CG2 C 17.461 0.300 1 431 42 42 ILE N N 120.932 0.300 1 432 43 43 LYS H H 8.607 0.030 1 433 43 43 LYS HA H 4.463 0.030 1 434 43 43 LYS HB2 H 1.567 0.030 2 435 43 43 LYS HB3 H 1.430 0.030 2 436 43 43 LYS HD2 H 1.380 0.030 1 437 43 43 LYS HD3 H 1.380 0.030 1 438 43 43 LYS HE2 H 2.639 0.030 1 439 43 43 LYS HE3 H 2.639 0.030 1 440 43 43 LYS HG2 H 1.149 0.030 1 441 43 43 LYS HG3 H 1.149 0.030 1 442 43 43 LYS C C 175.680 0.300 1 443 43 43 LYS CA C 54.991 0.300 1 444 43 43 LYS CB C 34.977 0.300 1 445 43 43 LYS CD C 28.859 0.300 1 446 43 43 LYS CE C 42.074 0.300 1 447 43 43 LYS CG C 24.449 0.300 1 448 43 43 LYS N N 128.550 0.300 1 449 44 44 ASP H H 9.407 0.030 1 450 44 44 ASP HA H 4.226 0.030 1 451 44 44 ASP HB2 H 2.620 0.030 2 452 44 44 ASP HB3 H 2.826 0.030 2 453 44 44 ASP C C 175.153 0.300 1 454 44 44 ASP CA C 55.930 0.300 1 455 44 44 ASP CB C 39.368 0.300 1 456 44 44 ASP N N 127.323 0.300 1 457 45 45 LYS H H 8.715 0.030 1 458 45 45 LYS HA H 3.564 0.030 1 459 45 45 LYS HB2 H 2.098 0.030 2 460 45 45 LYS HB3 H 1.989 0.030 2 461 45 45 LYS HD2 H 1.582 0.030 2 462 45 45 LYS HD3 H 1.661 0.030 2 463 45 45 LYS HE2 H 2.962 0.030 1 464 45 45 LYS HE3 H 2.962 0.030 1 465 45 45 LYS HG2 H 1.381 0.030 2 466 45 45 LYS HG3 H 1.353 0.030 2 467 45 45 LYS C C 174.532 0.300 1 468 45 45 LYS CA C 57.612 0.300 1 469 45 45 LYS CB C 30.158 0.300 1 470 45 45 LYS CD C 29.115 0.300 1 471 45 45 LYS CE C 42.368 0.300 1 472 45 45 LYS CG C 25.405 0.300 1 473 45 45 LYS N N 109.493 0.300 1 474 46 46 GLN H H 7.792 0.030 1 475 46 46 GLN HA H 4.663 0.030 1 476 46 46 GLN HB2 H 2.154 0.030 2 477 46 46 GLN HB3 H 2.019 0.030 2 478 46 46 GLN HE21 H 6.965 0.030 2 479 46 46 GLN HE22 H 7.542 0.030 2 480 46 46 GLN HG2 H 2.361 0.030 1 481 46 46 GLN HG3 H 2.361 0.030 1 482 46 46 GLN C C 174.100 0.300 1 483 46 46 GLN CA C 54.322 0.300 1 484 46 46 GLN CB C 31.852 0.300 1 485 46 46 GLN CG C 33.588 0.300 1 486 46 46 GLN N N 117.824 0.300 1 487 46 46 GLN NE2 N 112.349 0.300 1 488 47 47 VAL H H 8.679 0.030 1 489 47 47 VAL HA H 4.339 0.030 1 490 47 47 VAL HB H 1.874 0.030 1 491 47 47 VAL HG1 H 0.675 0.030 1 492 47 47 VAL HG2 H 0.792 0.030 1 493 47 47 VAL C C 175.559 0.300 1 494 47 47 VAL CA C 62.542 0.300 1 495 47 47 VAL CB C 32.256 0.300 1 496 47 47 VAL CG1 C 21.634 0.300 2 497 47 47 VAL CG2 C 21.903 0.300 2 498 47 47 VAL N N 123.291 0.300 1 499 48 48 LYS H H 9.041 0.030 1 500 48 48 LYS HA H 5.169 0.030 1 501 48 48 LYS HB2 H 1.638 0.030 2 502 48 48 LYS HB3 H 1.880 0.030 2 503 48 48 LYS HD2 H 1.452 0.030 2 504 48 48 LYS HD3 H 1.394 0.030 2 505 48 48 LYS HE2 H 2.631 0.030 1 506 48 48 LYS HE3 H 2.631 0.030 1 507 48 48 LYS HG2 H 1.392 0.030 2 508 48 48 LYS HG3 H 1.254 0.030 2 509 48 48 LYS C C 173.666 0.300 1 510 48 48 LYS CA C 54.326 0.300 1 511 48 48 LYS CB C 37.475 0.300 1 512 48 48 LYS CD C 29.498 0.300 1 513 48 48 LYS CE C 41.967 0.300 1 514 48 48 LYS CG C 25.294 0.300 1 515 48 48 LYS N N 126.846 0.300 1 516 49 49 TYR H H 9.180 0.030 1 517 49 49 TYR HA H 5.493 0.030 1 518 49 49 TYR HB2 H 2.502 0.030 2 519 49 49 TYR HB3 H 2.800 0.030 2 520 49 49 TYR HD1 H 7.014 0.030 1 521 49 49 TYR HD2 H 7.014 0.030 1 522 49 49 TYR HE1 H 6.879 0.030 1 523 49 49 TYR HE2 H 6.879 0.030 1 524 49 49 TYR C C 174.333 0.300 1 525 49 49 TYR CA C 56.328 0.300 1 526 49 49 TYR CB C 42.444 0.300 1 527 49 49 TYR CD1 C 133.200 0.300 1 528 49 49 TYR CD2 C 133.200 0.300 1 529 49 49 TYR CE1 C 118.472 0.300 1 530 49 49 TYR CE2 C 118.472 0.300 1 531 49 49 TYR N N 116.417 0.300 1 532 50 50 PHE H H 8.833 0.030 1 533 50 50 PHE HA H 4.241 0.030 1 534 50 50 PHE HB2 H 2.087 0.030 2 535 50 50 PHE HB3 H 0.300 0.030 2 536 50 50 PHE HD1 H 5.690 0.030 1 537 50 50 PHE HD2 H 5.690 0.030 1 538 50 50 PHE HE1 H 7.102 0.030 1 539 50 50 PHE HE2 H 7.102 0.030 1 540 50 50 PHE HZ H 7.169 0.030 1 541 50 50 PHE C C 173.595 0.300 1 542 50 50 PHE CA C 57.032 0.300 1 543 50 50 PHE CB C 38.513 0.300 1 544 50 50 PHE CD1 C 130.505 0.300 1 545 50 50 PHE CD2 C 130.505 0.300 1 546 50 50 PHE CE1 C 130.623 0.300 1 547 50 50 PHE CE2 C 130.623 0.300 1 548 50 50 PHE CZ C 130.554 0.300 1 549 50 50 PHE N N 127.511 0.300 1 550 51 51 ILE H H 8.397 0.030 1 551 51 51 ILE HA H 4.344 0.030 1 552 51 51 ILE HB H 1.589 0.030 1 553 51 51 ILE HD1 H 0.219 0.030 1 554 51 51 ILE HG12 H 1.294 0.030 2 555 51 51 ILE HG13 H 1.326 0.030 2 556 51 51 ILE HG2 H -0.147 0.030 1 557 51 51 ILE C C 173.689 0.300 1 558 51 51 ILE CA C 57.102 0.300 1 559 51 51 ILE CB C 38.830 0.300 1 560 51 51 ILE CD1 C 10.283 0.300 1 561 51 51 ILE CG1 C 26.556 0.300 1 562 51 51 ILE CG2 C 16.943 0.300 1 563 51 51 ILE N N 130.287 0.300 1 564 52 52 HIS H H 7.713 0.030 1 565 52 52 HIS HA H 4.944 0.030 1 566 52 52 HIS HB2 H 2.773 0.030 2 567 52 52 HIS HB3 H 2.654 0.030 2 568 52 52 HIS HD2 H 6.884 0.030 1 569 52 52 HIS HE1 H 8.380 0.030 1 570 52 52 HIS C C 174.658 0.300 1 571 52 52 HIS CA C 53.056 0.300 1 572 52 52 HIS CB C 31.153 0.300 1 573 52 52 HIS CD2 C 119.836 0.300 1 574 52 52 HIS CE1 C 136.789 0.300 1 575 52 52 HIS N N 119.645 0.300 1 576 53 53 TYR H H 8.134 0.030 1 577 53 53 TYR HA H 3.841 0.030 1 578 53 53 TYR HB2 H 1.991 0.030 2 579 53 53 TYR HB3 H 1.500 0.030 2 580 53 53 TYR HD1 H 6.647 0.030 1 581 53 53 TYR HD2 H 6.647 0.030 1 582 53 53 TYR HE1 H 6.541 0.030 1 583 53 53 TYR HE2 H 6.541 0.030 1 584 53 53 TYR C C 175.411 0.300 1 585 53 53 TYR CA C 58.615 0.300 1 586 53 53 TYR CB C 37.475 0.300 1 587 53 53 TYR CD1 C 133.204 0.300 1 588 53 53 TYR CD2 C 133.204 0.300 1 589 53 53 TYR CE1 C 117.094 0.300 1 590 53 53 TYR CE2 C 117.094 0.300 1 591 53 53 TYR N N 129.353 0.300 1 592 54 54 SER H H 7.996 0.030 1 593 54 54 SER HA H 4.026 0.030 1 594 54 54 SER HB2 H 3.747 0.030 2 595 54 54 SER HB3 H 3.475 0.030 2 596 54 54 SER C C 175.486 0.300 1 597 54 54 SER CA C 59.741 0.300 1 598 54 54 SER CB C 62.835 0.300 1 599 54 54 SER N N 117.640 0.300 1 600 55 55 GLY HA2 H 3.734 0.030 2 601 55 55 GLY HA3 H 4.133 0.030 2 602 55 55 GLY C C 174.299 0.300 1 603 55 55 GLY CA C 45.338 0.300 1 604 56 56 TRP H H 7.978 0.030 1 605 56 56 TRP HA H 4.882 0.030 1 606 56 56 TRP HB2 H 3.031 0.030 2 607 56 56 TRP HB3 H 3.130 0.030 2 608 56 56 TRP HD1 H 6.724 0.030 1 609 56 56 TRP HE1 H 9.207 0.030 1 610 56 56 TRP HE3 H 6.928 0.030 1 611 56 56 TRP HH2 H 5.911 0.030 1 612 56 56 TRP HZ2 H 6.175 0.030 1 613 56 56 TRP HZ3 H 5.675 0.030 1 614 56 56 TRP CA C 55.124 0.300 1 615 56 56 TRP CB C 30.365 0.300 1 616 56 56 TRP CD1 C 124.709 0.300 1 617 56 56 TRP CE3 C 120.755 0.300 1 618 56 56 TRP CH2 C 123.543 0.300 1 619 56 56 TRP CZ2 C 113.144 0.300 1 620 56 56 TRP CZ3 C 120.550 0.300 1 621 56 56 TRP N N 121.406 0.300 1 622 56 56 TRP NE1 N 126.572 0.300 1 623 57 57 ASN H H 7.155 0.030 1 624 57 57 ASN HA H 4.587 0.030 1 625 57 57 ASN HB2 H 2.715 0.030 2 626 57 57 ASN HB3 H 2.571 0.030 2 627 57 57 ASN HD21 H 6.891 0.030 2 628 57 57 ASN HD22 H 7.547 0.030 2 629 57 57 ASN CA C 53.839 0.300 1 630 57 57 ASN CB C 38.953 0.300 1 631 57 57 ASN ND2 N 113.484 0.300 1 632 58 58 LYS HA H 4.410 0.030 1 633 58 58 LYS HB2 H 1.766 0.030 2 634 58 58 LYS HB3 H 2.294 0.030 2 635 58 58 LYS HD2 H 1.550 0.030 2 636 58 58 LYS HE2 H 2.907 0.030 2 637 58 58 LYS HG2 H 1.369 0.030 2 638 58 58 LYS C C 177.271 0.300 1 639 58 58 LYS CA C 57.728 0.300 1 640 58 58 LYS CB C 32.138 0.300 1 641 58 58 LYS CD C 29.550 0.300 1 642 58 58 LYS CE C 42.049 0.300 1 643 58 58 LYS CG C 24.533 0.300 1 644 59 59 ASN H H 8.873 0.030 1 645 59 59 ASN HA H 4.508 0.030 1 646 59 59 ASN HB2 H 2.524 0.030 1 647 59 59 ASN HB3 H 2.524 0.030 1 648 59 59 ASN HD21 H 7.179 0.030 2 649 59 59 ASN HD22 H 6.593 0.030 2 650 59 59 ASN C C 176.005 0.300 1 651 59 59 ASN CA C 54.921 0.300 1 652 59 59 ASN CB C 37.425 0.300 1 653 59 59 ASN N N 119.063 0.300 1 654 59 59 ASN ND2 N 112.181 0.300 1 655 60 60 TRP H H 7.943 0.030 1 656 60 60 TRP HA H 4.673 0.030 1 657 60 60 TRP HB2 H 3.295 0.030 2 658 60 60 TRP HB3 H 3.355 0.030 2 659 60 60 TRP HD1 H 7.148 0.030 1 660 60 60 TRP HE1 H 9.849 0.030 1 661 60 60 TRP HE3 H 6.933 0.030 1 662 60 60 TRP HH2 H 6.890 0.030 1 663 60 60 TRP HZ2 H 7.172 0.030 1 664 60 60 TRP HZ3 H 6.355 0.030 1 665 60 60 TRP C C 175.239 0.300 1 666 60 60 TRP CA C 56.328 0.300 1 667 60 60 TRP CB C 30.352 0.300 1 668 60 60 TRP CD1 C 126.115 0.300 1 669 60 60 TRP CE3 C 120.690 0.300 1 670 60 60 TRP CH2 C 124.362 0.300 1 671 60 60 TRP CZ2 C 114.003 0.300 1 672 60 60 TRP CZ3 C 121.351 0.300 1 673 60 60 TRP N N 119.094 0.300 1 674 60 60 TRP NE1 N 127.390 0.300 1 675 61 61 ASP H H 7.715 0.030 1 676 61 61 ASP HA H 4.774 0.030 1 677 61 61 ASP HB2 H 2.613 0.030 2 678 61 61 ASP HB3 H 2.286 0.030 2 679 61 61 ASP C C 176.825 0.300 1 680 61 61 ASP CA C 55.730 0.300 1 681 61 61 ASP CB C 40.323 0.300 1 682 61 61 ASP N N 121.384 0.300 1 683 62 62 GLU H H 7.521 0.030 1 684 62 62 GLU HA H 4.817 0.030 1 685 62 62 GLU HB2 H 2.273 0.030 2 686 62 62 GLU HB3 H 2.127 0.030 2 687 62 62 GLU HG2 H 2.664 0.030 2 688 62 62 GLU HG3 H 2.215 0.030 2 689 62 62 GLU C C 174.458 0.300 1 690 62 62 GLU CA C 54.745 0.300 1 691 62 62 GLU CB C 32.263 0.300 1 692 62 62 GLU CG C 34.248 0.300 1 693 62 62 GLU N N 117.205 0.300 1 694 63 63 TRP H H 8.874 0.030 1 695 63 63 TRP HA H 5.513 0.030 1 696 63 63 TRP HB2 H 2.953 0.030 2 697 63 63 TRP HB3 H 3.296 0.030 2 698 63 63 TRP HD1 H 7.546 0.030 1 699 63 63 TRP HE1 H 10.103 0.030 1 700 63 63 TRP HE3 H 7.296 0.030 1 701 63 63 TRP HH2 H 6.872 0.030 1 702 63 63 TRP HZ2 H 7.244 0.030 1 703 63 63 TRP HZ3 H 6.803 0.030 1 704 63 63 TRP C C 177.683 0.300 1 705 63 63 TRP CA C 56.785 0.300 1 706 63 63 TRP CB C 30.335 0.300 1 707 63 63 TRP CD1 C 128.166 0.300 1 708 63 63 TRP CE3 C 120.443 0.300 1 709 63 63 TRP CH2 C 124.357 0.300 1 710 63 63 TRP CZ2 C 114.837 0.300 1 711 63 63 TRP CZ3 C 122.828 0.300 1 712 63 63 TRP N N 121.410 0.300 1 713 63 63 TRP NE1 N 130.952 0.300 1 714 64 64 VAL H H 10.066 0.030 1 715 64 64 VAL HA H 5.133 0.030 1 716 64 64 VAL HB H 2.166 0.030 1 717 64 64 VAL HG1 H 0.992 0.030 1 718 64 64 VAL HG2 H 0.987 0.030 1 719 64 64 VAL C C 173.184 0.300 1 720 64 64 VAL CA C 57.775 0.300 1 721 64 64 VAL CB C 34.335 0.300 1 722 64 64 VAL CG1 C 21.597 0.300 2 723 64 64 VAL CG2 C 20.622 0.300 2 724 64 64 VAL N N 119.495 0.300 1 725 65 65 PRO HA H 5.020 0.030 1 726 65 65 PRO HB2 H 2.489 0.030 2 727 65 65 PRO HB3 H 2.381 0.030 2 728 65 65 PRO HD2 H 3.806 0.030 2 729 65 65 PRO HD3 H 3.945 0.030 2 730 65 65 PRO HG2 H 2.168 0.030 2 731 65 65 PRO HG3 H 2.085 0.030 2 732 65 65 PRO C C 177.197 0.300 1 733 65 65 PRO CA C 62.098 0.300 1 734 65 65 PRO CB C 32.677 0.300 1 735 65 65 PRO CD C 50.667 0.300 1 736 65 65 PRO CG C 27.247 0.300 1 737 66 66 GLU H H 8.260 0.030 1 738 66 66 GLU HA H 4.165 0.030 1 739 66 66 GLU HB2 H 2.513 0.030 2 740 66 66 GLU HB3 H 2.400 0.030 2 741 66 66 GLU HG2 H 2.685 0.030 1 742 66 66 GLU HG3 H 2.685 0.030 1 743 66 66 GLU C C 176.360 0.300 1 744 66 66 GLU CA C 60.366 0.300 1 745 66 66 GLU CB C 31.446 0.300 1 746 66 66 GLU CG C 39.201 0.300 1 747 66 66 GLU N N 120.440 0.300 1 748 67 67 SER H H 8.275 0.030 1 749 67 67 SER HA H 4.384 0.030 1 750 67 67 SER HB2 H 4.069 0.030 1 751 67 67 SER HB3 H 4.069 0.030 1 752 67 67 SER C C 176.185 0.300 1 753 67 67 SER CA C 60.339 0.300 1 754 67 67 SER CB C 62.525 0.300 1 755 67 67 SER N N 109.774 0.300 1 756 68 68 ARG H H 7.942 0.030 1 757 68 68 ARG HA H 4.595 0.030 1 758 68 68 ARG HB2 H 2.637 0.030 2 759 68 68 ARG HB3 H 1.845 0.030 2 760 68 68 ARG HD2 H 3.255 0.030 2 761 68 68 ARG HD3 H 3.315 0.030 2 762 68 68 ARG HG2 H 1.968 0.030 2 763 68 68 ARG HG3 H 1.845 0.030 2 764 68 68 ARG C C 172.771 0.300 1 765 68 68 ARG CA C 56.785 0.300 1 766 68 68 ARG CB C 31.221 0.300 1 767 68 68 ARG CD C 43.612 0.300 1 768 68 68 ARG CG C 27.987 0.300 1 769 68 68 ARG N N 121.521 0.300 1 770 69 69 VAL H H 7.788 0.030 1 771 69 69 VAL HA H 4.217 0.030 1 772 69 69 VAL HB H 1.510 0.030 1 773 69 69 VAL HG1 H -0.495 0.030 1 774 69 69 VAL HG2 H 0.563 0.030 1 775 69 69 VAL C C 173.213 0.300 1 776 69 69 VAL CA C 62.025 0.300 1 777 69 69 VAL CB C 32.672 0.300 1 778 69 69 VAL CG1 C 21.251 0.300 2 779 69 69 VAL CG2 C 22.699 0.300 2 780 69 69 VAL N N 119.315 0.300 1 781 70 70 LEU H H 8.970 0.030 1 782 70 70 LEU HA H 4.952 0.030 1 783 70 70 LEU HB2 H 1.609 0.030 2 784 70 70 LEU HB3 H 1.303 0.030 2 785 70 70 LEU HD1 H 0.702 0.030 1 786 70 70 LEU HD2 H 0.928 0.030 1 787 70 70 LEU HG H 1.518 0.030 1 788 70 70 LEU C C 176.409 0.300 1 789 70 70 LEU CA C 53.056 0.300 1 790 70 70 LEU CB C 46.126 0.300 1 791 70 70 LEU CD1 C 25.931 0.300 2 792 70 70 LEU CD2 C 23.802 0.300 2 793 70 70 LEU CG C 27.411 0.300 1 794 70 70 LEU N N 124.407 0.300 1 795 71 71 LYS H H 8.539 0.030 1 796 71 71 LYS HA H 4.613 0.030 1 797 71 71 LYS HB2 H 1.663 0.030 2 798 71 71 LYS HB3 H 1.913 0.030 2 799 71 71 LYS HD2 H 1.929 0.030 2 800 71 71 LYS HD3 H 1.716 0.030 2 801 71 71 LYS HE2 H 2.135 0.030 2 802 71 71 LYS HE3 H 2.725 0.030 2 803 71 71 LYS HG2 H 1.416 0.030 2 804 71 71 LYS HG3 H 1.625 0.030 2 805 71 71 LYS C C 177.454 0.300 1 806 71 71 LYS CA C 55.132 0.300 1 807 71 71 LYS CB C 33.941 0.300 1 808 71 71 LYS CD C 29.138 0.300 1 809 71 71 LYS CE C 41.636 0.300 1 810 71 71 LYS CG C 24.451 0.300 1 811 71 71 LYS N N 118.391 0.300 1 812 72 72 TYR H H 9.083 0.030 1 813 72 72 TYR HA H 4.064 0.030 1 814 72 72 TYR HB2 H 3.444 0.030 2 815 72 72 TYR HB3 H 2.425 0.030 2 816 72 72 TYR HD1 H 6.846 0.030 1 817 72 72 TYR HD2 H 6.846 0.030 1 818 72 72 TYR HE1 H 6.615 0.030 1 819 72 72 TYR HE2 H 6.615 0.030 1 820 72 72 TYR C C 173.195 0.300 1 821 72 72 TYR CA C 58.932 0.300 1 822 72 72 TYR CB C 37.526 0.300 1 823 72 72 TYR CD1 C 132.859 0.300 1 824 72 72 TYR CD2 C 132.859 0.300 1 825 72 72 TYR CE1 C 118.293 0.300 1 826 72 72 TYR CE2 C 118.293 0.300 1 827 72 72 TYR N N 125.851 0.300 1 828 73 73 VAL H H 7.160 0.030 1 829 73 73 VAL HA H 4.749 0.030 1 830 73 73 VAL HB H 2.379 0.030 1 831 73 73 VAL HG1 H 0.943 0.030 1 832 73 73 VAL HG2 H 0.841 0.030 1 833 73 73 VAL C C 176.358 0.300 1 834 73 73 VAL CA C 58.932 0.300 1 835 73 73 VAL CB C 35.922 0.300 1 836 73 73 VAL CG1 C 22.122 0.300 2 837 73 73 VAL CG2 C 19.071 0.300 2 838 73 73 VAL N N 118.912 0.300 1 839 74 74 ASP HA H 4.234 0.030 1 840 74 74 ASP HB2 H 2.705 0.030 1 841 74 74 ASP HB3 H 2.705 0.030 1 842 74 74 ASP CA C 58.708 0.300 1 843 74 74 ASP CB C 40.238 0.300 1 844 75 75 THR HA H 3.976 0.030 1 845 75 75 THR HB H 3.988 0.030 1 846 75 75 THR HG2 H 1.224 0.030 1 847 75 75 THR C C 176.848 0.300 1 848 75 75 THR CA C 65.793 0.300 1 849 75 75 THR CB C 68.468 0.300 1 850 75 75 THR CG2 C 22.093 0.300 1 851 76 76 ASN H H 7.161 0.030 1 852 76 76 ASN HA H 4.775 0.030 1 853 76 76 ASN HB2 H 2.444 0.030 2 854 76 76 ASN HB3 H 2.782 0.030 2 855 76 76 ASN HD21 H 7.292 0.030 2 856 76 76 ASN HD22 H 8.935 0.030 2 857 76 76 ASN C C 176.742 0.300 1 858 76 76 ASN CA C 54.428 0.300 1 859 76 76 ASN CB C 38.595 0.300 1 860 76 76 ASN N N 119.353 0.300 1 861 76 76 ASN ND2 N 116.825 0.300 1 862 77 77 LEU H H 7.962 0.030 1 863 77 77 LEU HA H 3.935 0.030 1 864 77 77 LEU HB2 H 1.362 0.030 2 865 77 77 LEU HB3 H 1.786 0.030 2 866 77 77 LEU HD1 H 0.482 0.030 1 867 77 77 LEU HD2 H 0.445 0.030 1 868 77 77 LEU HG H 1.022 0.030 1 869 77 77 LEU C C 179.943 0.300 1 870 77 77 LEU CA C 57.771 0.300 1 871 77 77 LEU CB C 40.973 0.300 1 872 77 77 LEU CD1 C 24.533 0.300 2 873 77 77 LEU CD2 C 22.446 0.300 2 874 77 77 LEU CG C 27.247 0.300 1 875 77 77 LEU N N 125.132 0.300 1 876 78 78 GLN H H 8.114 0.030 1 877 78 78 GLN HA H 3.985 0.030 1 878 78 78 GLN HB2 H 2.093 0.030 1 879 78 78 GLN HB3 H 2.093 0.030 1 880 78 78 GLN HE21 H 7.684 0.030 2 881 78 78 GLN HE22 H 6.816 0.030 2 882 78 78 GLN HG2 H 2.374 0.030 1 883 78 78 GLN HG3 H 2.374 0.030 1 884 78 78 GLN C C 178.368 0.300 1 885 78 78 GLN CA C 59.002 0.300 1 886 78 78 GLN CB C 27.247 0.300 1 887 78 78 GLN CG C 33.250 0.300 1 888 78 78 GLN N N 119.999 0.300 1 889 78 78 GLN NE2 N 112.485 0.300 1 890 79 79 LYS H H 7.148 0.030 1 891 79 79 LYS HA H 4.085 0.030 1 892 79 79 LYS HB2 H 1.945 0.030 2 893 79 79 LYS HB3 H 1.895 0.030 2 894 79 79 LYS HD2 H 1.705 0.030 2 895 79 79 LYS HD3 H 1.736 0.030 2 896 79 79 LYS HE2 H 2.954 0.030 2 897 79 79 LYS HE3 H 3.057 0.030 2 898 79 79 LYS HG2 H 1.433 0.030 2 899 79 79 LYS HG3 H 1.561 0.030 2 900 79 79 LYS C C 177.897 0.300 1 901 79 79 LYS CA C 58.932 0.300 1 902 79 79 LYS CB C 31.441 0.300 1 903 79 79 LYS CD C 28.645 0.300 1 904 79 79 LYS CE C 41.866 0.300 1 905 79 79 LYS CG C 24.287 0.300 1 906 79 79 LYS N N 120.371 0.300 1 907 80 80 GLN H H 8.137 0.030 1 908 80 80 GLN HA H 3.773 0.030 1 909 80 80 GLN HB2 H 2.615 0.030 2 910 80 80 GLN HB3 H 1.595 0.030 2 911 80 80 GLN HE21 H 6.708 0.030 2 912 80 80 GLN HE22 H 7.301 0.030 2 913 80 80 GLN HG2 H 1.904 0.030 2 914 80 80 GLN HG3 H 2.347 0.030 2 915 80 80 GLN C C 178.385 0.300 1 916 80 80 GLN CA C 59.389 0.300 1 917 80 80 GLN CB C 27.911 0.300 1 918 80 80 GLN CG C 32.757 0.300 1 919 80 80 GLN N N 118.481 0.300 1 920 80 80 GLN NE2 N 109.701 0.300 1 921 81 81 ARG H H 7.767 0.030 1 922 81 81 ARG HA H 3.985 0.030 1 923 81 81 ARG HB2 H 1.885 0.030 2 924 81 81 ARG HB3 H 1.954 0.030 2 925 81 81 ARG HD2 H 3.155 0.030 2 926 81 81 ARG HD3 H 3.238 0.030 2 927 81 81 ARG HG2 H 1.795 0.030 2 928 81 81 ARG HG3 H 1.594 0.030 2 929 81 81 ARG C C 178.903 0.300 1 930 81 81 ARG CA C 59.319 0.300 1 931 81 81 ARG CB C 30.058 0.300 1 932 81 81 ARG CD C 43.447 0.300 1 933 81 81 ARG CG C 27.823 0.300 1 934 81 81 ARG N N 119.858 0.300 1 935 82 82 GLU H H 8.205 0.030 1 936 82 82 GLU HA H 3.980 0.030 1 937 82 82 GLU HB2 H 2.197 0.030 2 938 82 82 GLU HB3 H 2.102 0.030 2 939 82 82 GLU HG2 H 2.442 0.030 2 940 82 82 GLU HG3 H 2.270 0.030 2 941 82 82 GLU C C 180.259 0.300 1 942 82 82 GLU CA C 59.424 0.300 1 943 82 82 GLU CB C 29.385 0.300 1 944 82 82 GLU CG C 36.210 0.300 1 945 82 82 GLU N N 121.025 0.300 1 946 83 83 LEU H H 8.497 0.030 1 947 83 83 LEU HA H 4.101 0.030 1 948 83 83 LEU HB2 H 2.005 0.030 2 949 83 83 LEU HB3 H 1.549 0.030 2 950 83 83 LEU HD1 H 1.053 0.030 1 951 83 83 LEU HD2 H 0.985 0.030 1 952 83 83 LEU HG H 1.913 0.030 1 953 83 83 LEU C C 179.922 0.300 1 954 83 83 LEU CA C 57.806 0.300 1 955 83 83 LEU CB C 42.171 0.300 1 956 83 83 LEU CD1 C 26.137 0.300 2 957 83 83 LEU CD2 C 22.313 0.300 2 958 83 83 LEU CG C 26.886 0.300 1 959 83 83 LEU N N 120.268 0.300 1 960 84 84 GLN H H 7.698 0.030 1 961 84 84 GLN HA H 3.790 0.030 1 962 84 84 GLN HB2 H 1.763 0.030 2 963 84 84 GLN HB3 H 2.159 0.030 2 964 84 84 GLN HE21 H 6.104 0.030 2 965 84 84 GLN HE22 H 6.985 0.030 2 966 84 84 GLN HG2 H 2.334 0.030 1 967 84 84 GLN HG3 H 2.334 0.030 1 968 84 84 GLN C C 178.161 0.300 1 969 84 84 GLN CA C 58.861 0.300 1 970 84 84 GLN CB C 27.823 0.300 1 971 84 84 GLN CG C 33.358 0.300 1 972 84 84 GLN N N 119.059 0.300 1 973 84 84 GLN NE2 N 108.611 0.300 1 974 85 85 LYS H H 7.604 0.030 1 975 85 85 LYS HA H 4.052 0.030 1 976 85 85 LYS HB2 H 1.896 0.030 1 977 85 85 LYS HB3 H 1.896 0.030 1 978 85 85 LYS HD2 H 1.676 0.030 1 979 85 85 LYS HD3 H 1.676 0.030 1 980 85 85 LYS HE2 H 2.946 0.030 1 981 85 85 LYS HE3 H 2.946 0.030 1 982 85 85 LYS HG2 H 1.443 0.030 2 983 85 85 LYS HG3 H 1.550 0.030 2 984 85 85 LYS C C 178.171 0.300 1 985 85 85 LYS CA C 58.685 0.300 1 986 85 85 LYS CB C 32.448 0.300 1 987 85 85 LYS CD C 29.221 0.300 1 988 85 85 LYS CE C 41.967 0.300 1 989 85 85 LYS CG C 24.944 0.300 1 990 85 85 LYS N N 118.087 0.300 1 991 86 86 ALA H H 7.640 0.030 1 992 86 86 ALA HA H 4.321 0.030 1 993 86 86 ALA HB H 1.488 0.030 1 994 86 86 ALA C C 178.109 0.300 1 995 86 86 ALA CA C 53.445 0.300 1 996 86 86 ALA CB C 19.272 0.300 1 997 86 86 ALA N N 119.357 0.300 1 998 87 87 ASN H H 7.656 0.030 1 999 87 87 ASN HA H 4.966 0.030 1 1000 87 87 ASN HB2 H 2.805 0.030 2 1001 87 87 ASN HB3 H 2.779 0.030 2 1002 87 87 ASN HD21 H 7.363 0.030 2 1003 87 87 ASN HD22 H 7.826 0.030 2 1004 87 87 ASN C C 175.223 0.300 1 1005 87 87 ASN CA C 53.443 0.300 1 1006 87 87 ASN CB C 40.075 0.300 1 1007 87 87 ASN N N 117.341 0.300 1 1008 87 87 ASN ND2 N 115.102 0.300 1 1009 88 88 GLN H H 8.217 0.030 1 1010 88 88 GLN HA H 4.236 0.030 1 1011 88 88 GLN HB2 H 2.172 0.030 1 1012 88 88 GLN HB3 H 2.172 0.030 1 1013 88 88 GLN HE21 H 7.588 0.030 2 1014 88 88 GLN HE22 H 6.890 0.030 2 1015 88 88 GLN HG2 H 2.510 0.030 1 1016 88 88 GLN HG3 H 2.510 0.030 1 1017 88 88 GLN C C 177.967 0.300 1 1018 88 88 GLN CA C 58.566 0.300 1 1019 88 88 GLN CB C 29.052 0.300 1 1020 88 88 GLN CG C 34.072 0.300 1 1021 88 88 GLN N N 119.767 0.300 1 1022 88 88 GLN NE2 N 112.212 0.300 1 1023 89 89 GLU H H 8.657 0.030 1 1024 89 89 GLU HA H 4.167 0.030 1 1025 89 89 GLU HB2 H 2.039 0.030 1 1026 89 89 GLU HB3 H 2.039 0.030 1 1027 89 89 GLU HG2 H 2.345 0.030 2 1028 89 89 GLU HG3 H 2.293 0.030 2 1029 89 89 GLU C C 178.065 0.300 1 1030 89 89 GLU CA C 58.650 0.300 1 1031 89 89 GLU CB C 29.438 0.300 1 1032 89 89 GLU CG C 36.622 0.300 1 1033 89 89 GLU N N 120.527 0.300 1 1034 90 90 GLN H H 8.254 0.030 1 1035 90 90 GLN HA H 4.190 0.030 1 1036 90 90 GLN HB2 H 2.027 0.030 1 1037 90 90 GLN HB3 H 2.027 0.030 1 1038 90 90 GLN HE21 H 7.567 0.030 2 1039 90 90 GLN HE22 H 6.875 0.030 2 1040 90 90 GLN HG2 H 2.343 0.030 1 1041 90 90 GLN HG3 H 2.343 0.030 1 1042 90 90 GLN C C 177.441 0.300 1 1043 90 90 GLN CA C 57.665 0.300 1 1044 90 90 GLN CB C 28.645 0.300 1 1045 90 90 GLN CG C 34.072 0.300 1 1046 90 90 GLN N N 119.642 0.300 1 1047 90 90 GLN NE2 N 112.303 0.300 1 1048 91 91 TYR H H 8.285 0.030 1 1049 91 91 TYR HA H 4.554 0.030 1 1050 91 91 TYR HB2 H 3.123 0.030 2 1051 91 91 TYR HB3 H 3.035 0.030 2 1052 91 91 TYR HD1 H 7.169 0.030 1 1053 91 91 TYR HD2 H 7.169 0.030 1 1054 91 91 TYR HE1 H 6.766 0.030 1 1055 91 91 TYR HE2 H 6.766 0.030 1 1056 91 91 TYR C C 176.595 0.300 1 1057 91 91 TYR CA C 58.791 0.300 1 1058 91 91 TYR CB C 38.358 0.300 1 1059 91 91 TYR CD1 C 133.085 0.300 1 1060 91 91 TYR CD2 C 133.085 0.300 1 1061 91 91 TYR CE1 C 118.281 0.300 1 1062 91 91 TYR CE2 C 118.281 0.300 1 1063 91 91 TYR N N 121.090 0.300 1 1064 92 92 ALA H H 8.117 0.030 1 1065 92 92 ALA HA H 4.077 0.030 1 1066 92 92 ALA HB H 1.428 0.030 1 1067 92 92 ALA C C 178.884 0.300 1 1068 92 92 ALA CA C 53.795 0.300 1 1069 92 92 ALA CB C 18.668 0.300 1 1070 92 92 ALA N N 123.804 0.300 1 1071 93 93 GLU H H 8.045 0.030 1 1072 93 93 GLU HA H 4.056 0.030 1 1073 93 93 GLU HB2 H 2.018 0.030 1 1074 93 93 GLU HB3 H 2.018 0.030 1 1075 93 93 GLU HG2 H 2.200 0.030 2 1076 93 93 GLU HG3 H 2.300 0.030 2 1077 93 93 GLU C C 178.066 0.300 1 1078 93 93 GLU CA C 58.017 0.300 1 1079 93 93 GLU CB C 29.683 0.300 1 1080 93 93 GLU CG C 36.293 0.300 1 1081 93 93 GLU N N 119.013 0.300 1 1082 94 94 GLY H H 8.155 0.030 1 1083 94 94 GLY HA2 H 3.622 0.030 2 1084 94 94 GLY HA3 H 3.985 0.030 2 1085 94 94 GLY C C 175.260 0.300 1 1086 94 94 GLY CA C 46.120 0.300 1 1087 94 94 GLY N N 108.540 0.300 1 1088 95 95 LYS H H 7.934 0.030 1 1089 95 95 LYS HA H 4.178 0.030 1 1090 95 95 LYS HB2 H 1.715 0.030 2 1091 95 95 LYS HB3 H 1.665 0.030 2 1092 95 95 LYS HD2 H 1.518 0.030 1 1093 95 95 LYS HD3 H 1.518 0.030 1 1094 95 95 LYS HE2 H 2.804 0.030 1 1095 95 95 LYS HE3 H 2.804 0.030 1 1096 95 95 LYS HG2 H 1.274 0.030 1 1097 95 95 LYS HG3 H 1.274 0.030 1 1098 95 95 LYS C C 177.811 0.300 1 1099 95 95 LYS CA C 57.313 0.300 1 1100 95 95 LYS CB C 32.558 0.300 1 1101 95 95 LYS CD C 29.056 0.300 1 1102 95 95 LYS CE C 41.983 0.300 1 1103 95 95 LYS CG C 24.734 0.300 1 1104 95 95 LYS N N 120.556 0.300 1 1105 96 96 MET H H 7.946 0.030 1 1106 96 96 MET HA H 4.296 0.030 1 1107 96 96 MET HB2 H 2.028 0.030 2 1108 96 96 MET HB3 H 1.968 0.030 2 1109 96 96 MET HE H 1.974 0.030 1 1110 96 96 MET HG2 H 2.520 0.030 2 1111 96 96 MET HG3 H 2.440 0.030 2 1112 96 96 MET C C 176.899 0.300 1 1113 96 96 MET CA C 56.258 0.300 1 1114 96 96 MET CB C 32.241 0.300 1 1115 96 96 MET CE C 16.847 0.300 1 1116 96 96 MET CG C 32.017 0.300 1 1117 96 96 MET N N 119.634 0.300 1 1118 97 97 ARG H H 7.860 0.030 1 1119 97 97 ARG HA H 4.090 0.030 1 1120 97 97 ARG HB2 H 1.295 0.030 2 1121 97 97 ARG HB3 H 1.259 0.030 2 1122 97 97 ARG HG2 H 1.168 0.030 2 1123 97 97 ARG HG3 H 1.297 0.030 2 1124 97 97 ARG C C 176.585 0.300 1 1125 97 97 ARG CA C 56.926 0.300 1 1126 97 97 ARG CB C 30.043 0.300 1 1127 97 97 ARG CD C 42.789 0.300 1 1128 97 97 ARG CG C 27.126 0.300 1 1129 97 97 ARG N N 120.674 0.300 1 1130 98 98 GLY H H 7.954 0.030 1 1131 98 98 GLY HA2 H 3.866 0.030 1 1132 98 98 GLY HA3 H 3.866 0.030 1 1133 98 98 GLY C C 173.645 0.300 1 1134 98 98 GLY CA C 45.069 0.300 1 1135 98 98 GLY N N 108.296 0.300 1 1136 99 99 ALA H H 7.927 0.030 1 1137 99 99 ALA HA H 4.326 0.030 1 1138 99 99 ALA HB H 1.377 0.030 1 1139 99 99 ALA C C 176.392 0.300 1 1140 99 99 ALA CA C 52.387 0.300 1 1141 99 99 ALA CB C 19.645 0.300 1 1142 99 99 ALA N N 123.703 0.300 1 1143 100 100 ALA H H 7.922 0.030 1 1144 100 100 ALA HA H 4.091 0.030 1 1145 100 100 ALA HB H 1.330 0.030 1 1146 100 100 ALA C C 182.706 0.300 1 1147 100 100 ALA CA C 53.900 0.300 1 1148 100 100 ALA CB C 20.077 0.300 1 1149 100 100 ALA N N 128.703 0.300 1 stop_ save_