data_10101 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of four helical up-and-down bundle domain of the hypothetical rotein 2610208M17Rik similar to the protein FLJ12806 ; _BMRB_accession_number 10101 _BMRB_flat_file_name bmr10101.str _Entry_type original _Submission_date 2007-02-13 _Accession_date 2007-02-13 _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 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Shirouzu M. . . 7 Terada M. . . 8 Yabuki T. . . 9 Aoki M. . . 10 Seki E. . . 11 Matsuda T. . . 12 Hirota H. . . 13 Yoshida M. . . 14 Tanaka A. . . 15 Osanai T. . . 16 Arakawa T. . . 17 Carninci P. . . 18 Kawai J. . . 19 Hayashizaki Y. . . 20 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" 732 "13C chemical shifts" 530 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-15 original author . stop_ _Original_release_date 2008-08-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of four helical up-and-down bundle domain of the hypothetical protein 2610208M17Rik similar to the protein FLJ12806 ; _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 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Shirouzu M. . . 7 Terada M. . . 8 Yabuki T. . . 9 Aoki M. . . 10 Seki E. . . 11 Matsuda T. . . 12 Hirota H. . . 13 Yoshida M. . . 14 Tanaka A. . . 15 Osanai T. . . 16 Arakawa T. . . 17 Carninci P. . . 18 Kawai J. . . 19 Hayashizaki Y. . . 20 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 '2610208M17Rik protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '2610208M17Rik protein' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Four helical up-and-down bundle domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSSGSSGMSEVTRSLLQRWG ASLRRGADFDSWGQLVEAID EYQILARHLQKEAQAQHNNS EFTEEQKKTIGKIATCLELR SAALQSTQSQEEFKLEDLKK LEPILKNILTYNKEFPFDVQ PISGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 SER 10 GLU 11 VAL 12 THR 13 ARG 14 SER 15 LEU 16 LEU 17 GLN 18 ARG 19 TRP 20 GLY 21 ALA 22 SER 23 LEU 24 ARG 25 ARG 26 GLY 27 ALA 28 ASP 29 PHE 30 ASP 31 SER 32 TRP 33 GLY 34 GLN 35 LEU 36 VAL 37 GLU 38 ALA 39 ILE 40 ASP 41 GLU 42 TYR 43 GLN 44 ILE 45 LEU 46 ALA 47 ARG 48 HIS 49 LEU 50 GLN 51 LYS 52 GLU 53 ALA 54 GLN 55 ALA 56 GLN 57 HIS 58 ASN 59 ASN 60 SER 61 GLU 62 PHE 63 THR 64 GLU 65 GLU 66 GLN 67 LYS 68 LYS 69 THR 70 ILE 71 GLY 72 LYS 73 ILE 74 ALA 75 THR 76 CYS 77 LEU 78 GLU 79 LEU 80 ARG 81 SER 82 ALA 83 ALA 84 LEU 85 GLN 86 SER 87 THR 88 GLN 89 SER 90 GLN 91 GLU 92 GLU 93 PHE 94 LYS 95 LEU 96 GLU 97 ASP 98 LEU 99 LYS 100 LYS 101 LEU 102 GLU 103 PRO 104 ILE 105 LEU 106 LYS 107 ASN 108 ILE 109 LEU 110 THR 111 TYR 112 ASN 113 LYS 114 GLU 115 PHE 116 PRO 117 PHE 118 ASP 119 VAL 120 GLN 121 PRO 122 ILE 123 SER 124 GLY 125 PRO 126 SER 127 SER 128 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1UG7 "Solution Structure Of Four Helical Up-And-Down Bundle Domain Of The Hypothetical Protein 2610208m17rik Similar To The Protein F" 100.00 128 100.00 100.00 3.68e-87 DBJ BAB14281 "unnamed protein product [Homo sapiens]" 89.84 306 98.26 99.13 3.26e-74 DBJ BAC38234 "unnamed protein product [Mus musculus]" 89.84 305 100.00 100.00 4.96e-75 DBJ BAE00645 "unnamed protein product [Macaca fascicularis]" 60.94 275 98.72 100.00 5.39e-45 DBJ BAE25512 "unnamed protein product [Mus musculus]" 89.06 304 100.00 100.00 4.79e-74 DBJ BAE29085 "unnamed protein product [Mus musculus]" 89.84 305 100.00 100.00 4.96e-75 EMBL CAH56257 "hypothetical protein [Homo sapiens]" 88.28 304 98.23 99.12 1.06e-72 EMBL CAH91107 "hypothetical protein [Pongo abelii]" 89.84 306 98.26 99.13 3.05e-74 GB AAH15535 "Axin interactor, dorsalization associated [Homo sapiens]" 89.84 306 98.26 99.13 3.05e-74 GB AAH57183 "Aida protein [Mus musculus]" 89.84 223 100.00 100.00 6.10e-76 GB AAH66829 "Aida protein, partial [Mus musculus]" 89.06 304 100.00 100.00 3.73e-74 GB AAH67805 "AIDA protein [Homo sapiens]" 89.84 306 98.26 99.13 3.05e-74 GB AAH86763 "Axin interactor, dorsalization associated [Mus musculus]" 89.84 305 100.00 100.00 4.96e-75 REF NP_001121072 "axin interactor, dorsalization-associated protein [Rattus norvegicus]" 89.84 305 100.00 100.00 4.65e-75 REF NP_001125646 "axin interactor, dorsalization-associated protein [Pongo abelii]" 89.84 306 98.26 99.13 3.05e-74 REF NP_001192563 "axin interactor, dorsalization-associated protein [Bos taurus]" 89.84 306 98.26 99.13 2.40e-74 REF NP_001270111 "axin interactor, dorsalization-associated protein [Macaca fascicularis]" 60.94 275 98.72 100.00 5.39e-45 REF NP_073742 "axin interactor, dorsalization-associated protein [Homo sapiens]" 89.84 306 98.26 99.13 3.05e-74 SP Q4R8C7 "RecName: Full=Axin interactor, dorsalization-associated protein; AltName: Full=Axin interaction partner and dorsalization antag" 60.94 275 98.72 100.00 5.39e-45 SP Q5RAV3 "RecName: Full=Axin interactor, dorsalization-associated protein; AltName: Full=Axin interaction partner and dorsalization antag" 89.84 306 98.26 99.13 3.05e-74 SP Q8C4Q6 "RecName: Full=Axin interactor, dorsalization-associated protein; AltName: Full=Axin interaction partner and dorsalization antag" 89.84 305 100.00 100.00 4.96e-75 SP Q96BJ3 "RecName: Full=Axin interactor, dorsalization-associated protein; AltName: Full=Axin interaction partner and dorsalization antag" 89.84 306 98.26 99.13 3.05e-74 TPG DAA21418 "TPA: hypothetical protein BOS_15701 [Bos taurus]" 89.84 306 98.26 99.13 2.40e-74 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 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P020918-18 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 0.8 mM '[U-13C; U-15N]' d-Tris 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.811 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement '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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 7.0 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 13C-separated NOESY' '3D 15N-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 '2610208M17Rik protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 5 5 SER HA H 4.307 0.030 1 2 7 7 GLY HA2 H 3.997 0.030 1 3 7 7 GLY HA3 H 3.997 0.030 1 4 7 7 GLY C C 173.858 0.300 1 5 7 7 GLY CA C 45.385 0.300 1 6 8 8 MET H H 8.121 0.030 1 7 8 8 MET HA H 4.495 0.030 1 8 8 8 MET HB2 H 2.029 0.030 1 9 8 8 MET HB3 H 2.029 0.030 1 10 8 8 MET HG2 H 2.527 0.030 2 11 8 8 MET HG3 H 2.483 0.030 2 12 8 8 MET HE H 2.076 0.030 1 13 8 8 MET C C 176.180 0.300 1 14 8 8 MET CA C 55.526 0.300 1 15 8 8 MET CB C 33.802 0.300 1 16 8 8 MET CG C 31.565 0.300 1 17 8 8 MET CE C 17.059 0.300 1 18 8 8 MET N N 119.738 0.300 1 19 9 9 SER H H 8.952 0.030 1 20 9 9 SER HA H 4.485 0.030 1 21 9 9 SER HB2 H 4.168 0.030 1 22 9 9 SER HB3 H 4.168 0.030 1 23 9 9 SER CA C 58.289 0.300 1 24 9 9 SER CB C 64.214 0.300 1 25 9 9 SER N N 120.013 0.300 1 26 10 10 GLU H H 8.810 0.030 1 27 10 10 GLU HA H 4.141 0.030 1 28 10 10 GLU HB2 H 2.042 0.030 1 29 10 10 GLU HB3 H 2.042 0.030 1 30 10 10 GLU HG2 H 2.337 0.030 1 31 10 10 GLU HG3 H 2.337 0.030 1 32 10 10 GLU C C 178.923 0.300 1 33 10 10 GLU CA C 58.748 0.300 1 34 10 10 GLU CB C 29.339 0.300 1 35 10 10 GLU CG C 35.990 0.300 1 36 10 10 GLU N N 122.902 0.300 1 37 11 11 VAL H H 7.900 0.030 1 38 11 11 VAL HA H 3.722 0.030 1 39 11 11 VAL HB H 1.990 0.030 1 40 11 11 VAL HG1 H 0.876 0.030 1 41 11 11 VAL HG2 H 1.013 0.030 1 42 11 11 VAL C C 178.486 0.300 1 43 11 11 VAL CA C 65.976 0.300 1 44 11 11 VAL CB C 31.907 0.300 1 45 11 11 VAL CG1 C 20.871 0.300 2 46 11 11 VAL CG2 C 22.110 0.300 2 47 11 11 VAL N N 120.014 0.300 1 48 12 12 THR H H 7.687 0.030 1 49 12 12 THR HA H 3.660 0.030 1 50 12 12 THR HB H 3.994 0.030 1 51 12 12 THR HG2 H 0.947 0.030 1 52 12 12 THR CA C 66.217 0.300 1 53 12 12 THR CB C 67.916 0.300 1 54 12 12 THR CG2 C 23.427 0.300 1 55 12 12 THR N N 118.261 0.300 1 56 13 13 ARG H H 8.237 0.030 1 57 13 13 ARG HA H 3.927 0.030 1 58 13 13 ARG HB2 H 1.859 0.030 1 59 13 13 ARG HB3 H 1.859 0.030 1 60 13 13 ARG HG2 H 1.727 0.030 1 61 13 13 ARG HG3 H 1.727 0.030 1 62 13 13 ARG HD2 H 3.229 0.030 1 63 13 13 ARG HD3 H 3.229 0.030 1 64 13 13 ARG C C 179.215 0.300 1 65 13 13 ARG CA C 60.335 0.300 1 66 13 13 ARG CB C 30.177 0.300 1 67 13 13 ARG CG C 27.653 0.300 1 68 13 13 ARG CD C 43.242 0.300 1 69 13 13 ARG N N 120.934 0.300 1 70 14 14 SER H H 8.037 0.030 1 71 14 14 SER HA H 4.180 0.030 1 72 14 14 SER HB2 H 3.982 0.030 1 73 14 14 SER HB3 H 3.982 0.030 1 74 14 14 SER C C 176.661 0.300 1 75 14 14 SER CA C 61.444 0.300 1 76 14 14 SER CB C 61.851 0.300 1 77 14 14 SER N N 114.255 0.300 1 78 15 15 LEU H H 7.689 0.030 1 79 15 15 LEU HA H 3.555 0.030 1 80 15 15 LEU HB2 H 0.806 0.030 2 81 15 15 LEU HB3 H 1.345 0.030 2 82 15 15 LEU HG H 0.575 0.030 1 83 15 15 LEU HD1 H 0.577 0.030 1 84 15 15 LEU HD2 H 0.577 0.030 1 85 15 15 LEU C C 177.126 0.300 1 86 15 15 LEU CA C 57.937 0.300 1 87 15 15 LEU CB C 41.511 0.300 1 88 15 15 LEU CG C 25.855 0.300 1 89 15 15 LEU CD1 C 24.207 0.300 1 90 15 15 LEU CD2 C 24.207 0.300 1 91 15 15 LEU N N 124.846 0.300 1 92 16 16 LEU H H 7.930 0.030 1 93 16 16 LEU HA H 3.952 0.030 1 94 16 16 LEU HB2 H 1.933 0.030 2 95 16 16 LEU HB3 H 1.702 0.030 2 96 16 16 LEU HG H 2.057 0.030 1 97 16 16 LEU HD1 H 1.217 0.030 1 98 16 16 LEU HD2 H 1.113 0.030 1 99 16 16 LEU C C 181.036 0.300 1 100 16 16 LEU CA C 58.466 0.300 1 101 16 16 LEU CB C 41.219 0.300 1 102 16 16 LEU CG C 27.151 0.300 1 103 16 16 LEU CD1 C 22.969 0.300 2 104 16 16 LEU CD2 C 26.325 0.300 2 105 16 16 LEU N N 115.568 0.300 1 106 17 17 GLN H H 7.903 0.030 1 107 17 17 GLN HA H 4.117 0.030 1 108 17 17 GLN HB2 H 2.233 0.030 1 109 17 17 GLN HB3 H 2.233 0.030 1 110 17 17 GLN HG2 H 2.457 0.030 2 111 17 17 GLN HG3 H 2.565 0.030 2 112 17 17 GLN HE21 H 7.466 0.030 2 113 17 17 GLN HE22 H 6.903 0.030 2 114 17 17 GLN C C 179.118 0.300 1 115 17 17 GLN CA C 59.065 0.300 1 116 17 17 GLN CB C 28.281 0.300 1 117 17 17 GLN CG C 33.941 0.300 1 118 17 17 GLN N N 118.510 0.300 1 119 17 17 GLN NE2 N 111.820 0.300 1 120 18 18 ARG H H 8.057 0.030 1 121 18 18 ARG HA H 4.177 0.030 1 122 18 18 ARG HB2 H 1.997 0.030 2 123 18 18 ARG HB3 H 1.937 0.030 2 124 18 18 ARG HG2 H 1.857 0.030 2 125 18 18 ARG HG3 H 1.696 0.030 2 126 18 18 ARG HD2 H 3.237 0.030 2 127 18 18 ARG HD3 H 3.177 0.030 2 128 18 18 ARG C C 180.235 0.300 1 129 18 18 ARG CA C 59.675 0.300 1 130 18 18 ARG CB C 29.929 0.300 1 131 18 18 ARG CG C 27.585 0.300 1 132 18 18 ARG CD C 43.736 0.300 1 133 18 18 ARG N N 122.237 0.300 1 134 19 19 TRP H H 9.174 0.030 1 135 19 19 TRP HA H 4.795 0.030 1 136 19 19 TRP HB2 H 3.102 0.030 2 137 19 19 TRP HB3 H 3.537 0.030 2 138 19 19 TRP HD1 H 7.061 0.030 1 139 19 19 TRP HE1 H 9.469 0.030 1 140 19 19 TRP HE3 H 7.323 0.030 1 141 19 19 TRP HZ2 H 7.250 0.030 1 142 19 19 TRP HH2 H 6.931 0.030 1 143 19 19 TRP C C 179.045 0.300 1 144 19 19 TRP CA C 57.796 0.300 1 145 19 19 TRP CB C 29.647 0.300 1 146 19 19 TRP CD1 C 123.493 0.300 1 147 19 19 TRP CE3 C 120.598 0.300 1 148 19 19 TRP CZ2 C 114.123 0.300 1 149 19 19 TRP CZ3 C 120.651 0.300 1 150 19 19 TRP CH2 C 123.427 0.300 1 151 19 19 TRP N N 122.405 0.300 1 152 19 19 TRP NE1 N 125.841 0.300 1 153 20 20 GLY H H 8.747 0.030 1 154 20 20 GLY HA2 H 3.982 0.030 2 155 20 20 GLY HA3 H 3.829 0.030 2 156 20 20 GLY C C 175.791 0.300 1 157 20 20 GLY CA C 47.547 0.300 1 158 20 20 GLY N N 105.900 0.300 1 159 21 21 ALA H H 8.149 0.030 1 160 21 21 ALA HA H 4.210 0.030 1 161 21 21 ALA HB H 1.584 0.030 1 162 21 21 ALA C C 180.744 0.300 1 163 21 21 ALA CA C 54.951 0.300 1 164 21 21 ALA CB C 18.031 0.300 1 165 21 21 ALA N N 123.888 0.300 1 166 22 22 SER H H 8.097 0.030 1 167 22 22 SER HA H 4.362 0.030 1 168 22 22 SER HB2 H 4.350 0.030 2 169 22 22 SER HB3 H 4.249 0.030 2 170 22 22 SER CA C 61.498 0.300 1 171 22 22 SER CB C 63.156 0.300 1 172 22 22 SER N N 116.247 0.300 1 173 23 23 LEU H H 8.472 0.030 1 174 23 23 LEU HA H 4.032 0.030 1 175 23 23 LEU HB2 H 2.027 0.030 2 176 23 23 LEU HB3 H 1.548 0.030 2 177 23 23 LEU HG H 1.657 0.030 1 178 23 23 LEU HD1 H 0.941 0.030 1 179 23 23 LEU HD2 H 0.881 0.030 1 180 23 23 LEU C C 178.049 0.300 1 181 23 23 LEU CA C 58.959 0.300 1 182 23 23 LEU CB C 41.548 0.300 1 183 23 23 LEU CG C 27.652 0.300 1 184 23 23 LEU CD1 C 24.938 0.300 2 185 23 23 LEU CD2 C 25.827 0.300 2 186 23 23 LEU N N 123.024 0.300 1 187 24 24 ARG H H 7.880 0.030 1 188 24 24 ARG HA H 3.917 0.030 1 189 24 24 ARG HB2 H 1.897 0.030 2 190 24 24 ARG HB3 H 2.070 0.030 2 191 24 24 ARG HD2 H 3.260 0.030 2 192 24 24 ARG HD3 H 3.205 0.030 2 193 24 24 ARG C C 177.515 0.300 1 194 24 24 ARG CA C 58.959 0.300 1 195 24 24 ARG CB C 29.847 0.300 1 196 24 24 ARG CG C 26.851 0.300 1 197 24 24 ARG CD C 42.834 0.300 1 198 24 24 ARG N N 116.957 0.300 1 199 25 25 ARG H H 7.945 0.030 1 200 25 25 ARG HA H 3.787 0.030 1 201 25 25 ARG HB2 H 1.891 0.030 2 202 25 25 ARG HB3 H 1.785 0.030 2 203 25 25 ARG HG2 H 1.546 0.030 2 204 25 25 ARG HG3 H 1.287 0.030 2 205 25 25 ARG HD2 H 3.280 0.030 2 206 25 25 ARG HD3 H 3.188 0.030 2 207 25 25 ARG C C 179.093 0.300 1 208 25 25 ARG CA C 59.494 0.300 1 209 25 25 ARG CB C 30.635 0.300 1 210 25 25 ARG CG C 27.997 0.300 1 211 25 25 ARG CD C 43.984 0.300 1 212 25 25 ARG N N 118.977 0.300 1 213 26 26 GLY H H 8.590 0.030 1 214 26 26 GLY HA2 H 3.543 0.030 2 215 26 26 GLY HA3 H 3.505 0.030 2 216 26 26 GLY C C 173.436 0.300 1 217 26 26 GLY CA C 48.487 0.300 1 218 26 26 GLY N N 106.037 0.300 1 219 27 27 ALA H H 8.628 0.030 1 220 27 27 ALA HA H 4.663 0.030 1 221 27 27 ALA HB H 1.380 0.030 1 222 27 27 ALA C C 180.963 0.300 1 223 27 27 ALA CA C 54.270 0.300 1 224 27 27 ALA CB C 18.163 0.300 1 225 27 27 ALA N N 123.002 0.300 1 226 28 28 ASP H H 8.356 0.030 1 227 28 28 ASP HA H 3.901 0.030 1 228 28 28 ASP HB2 H 2.280 0.030 2 229 28 28 ASP HB3 H 1.290 0.030 2 230 28 28 ASP CA C 56.785 0.300 1 231 28 28 ASP CB C 38.829 0.300 1 232 28 28 ASP N N 122.324 0.300 1 233 29 29 PHE H H 7.691 0.030 1 234 29 29 PHE HA H 4.363 0.030 1 235 29 29 PHE HB2 H 2.910 0.030 2 236 29 29 PHE HB3 H 3.646 0.030 2 237 29 29 PHE HD1 H 7.156 0.030 1 238 29 29 PHE HD2 H 7.156 0.030 1 239 29 29 PHE HE1 H 7.417 0.030 1 240 29 29 PHE HE2 H 7.417 0.030 1 241 29 29 PHE HZ H 7.320 0.030 1 242 29 29 PHE CA C 60.511 0.300 1 243 29 29 PHE CB C 37.771 0.300 1 244 29 29 PHE CD1 C 131.460 0.300 1 245 29 29 PHE CD2 C 131.460 0.300 1 246 29 29 PHE CE1 C 131.460 0.300 1 247 29 29 PHE CE2 C 131.460 0.300 1 248 29 29 PHE CZ C 129.961 0.300 1 249 29 29 PHE N N 118.228 0.300 1 250 30 30 ASP H H 8.367 0.030 1 251 30 30 ASP HA H 3.869 0.030 1 252 30 30 ASP HB2 H 2.882 0.030 2 253 30 30 ASP HB3 H 3.317 0.030 2 254 30 30 ASP C C 179.223 0.300 1 255 30 30 ASP CA C 56.632 0.300 1 256 30 30 ASP CB C 42.125 0.300 1 257 30 30 ASP N N 120.282 0.300 1 258 31 31 SER H H 8.480 0.030 1 259 31 31 SER HA H 4.027 0.030 1 260 31 31 SER HB2 H 3.914 0.030 2 261 31 31 SER HB3 H 3.989 0.030 2 262 31 31 SER CA C 61.714 0.300 1 263 31 31 SER CB C 63.293 0.300 1 264 31 31 SER N N 115.594 0.300 1 265 32 32 TRP H H 8.085 0.030 1 266 32 32 TRP HA H 4.987 0.030 1 267 32 32 TRP HB2 H 3.633 0.030 2 268 32 32 TRP HB3 H 3.437 0.030 2 269 32 32 TRP HD1 H 7.175 0.030 1 270 32 32 TRP HE1 H 9.974 0.030 1 271 32 32 TRP HE3 H 7.737 0.030 1 272 32 32 TRP HZ2 H 7.375 0.030 1 273 32 32 TRP HH2 H 7.100 0.030 1 274 32 32 TRP C C 176.981 0.300 1 275 32 32 TRP CA C 55.773 0.300 1 276 32 32 TRP CB C 29.717 0.300 1 277 32 32 TRP CD1 C 125.627 0.300 1 278 32 32 TRP CE3 C 120.896 0.300 1 279 32 32 TRP CZ2 C 114.060 0.300 1 280 32 32 TRP CZ3 C 121.575 0.300 1 281 32 32 TRP CH2 C 124.296 0.300 1 282 32 32 TRP N N 120.261 0.300 1 283 32 32 TRP NE1 N 127.290 0.300 1 284 33 33 GLY H H 8.434 0.030 1 285 33 33 GLY HA2 H 4.361 0.030 2 286 33 33 GLY HA3 H 3.905 0.030 2 287 33 33 GLY C C 175.281 0.300 1 288 33 33 GLY CA C 46.055 0.300 1 289 33 33 GLY N N 109.163 0.300 1 290 34 34 GLN H H 8.755 0.030 1 291 34 34 GLN HA H 4.595 0.030 1 292 34 34 GLN HB2 H 2.221 0.030 2 293 34 34 GLN HB3 H 2.387 0.030 2 294 34 34 GLN HG2 H 2.463 0.030 2 295 34 34 GLN HG3 H 2.397 0.030 2 296 34 34 GLN HE21 H 7.384 0.030 2 297 34 34 GLN HE22 H 6.758 0.030 2 298 34 34 GLN C C 175.427 0.300 1 299 34 34 GLN CA C 54.596 0.300 1 300 34 34 GLN CB C 27.210 0.300 1 301 34 34 GLN CG C 34.851 0.300 1 302 34 34 GLN N N 124.055 0.300 1 303 34 34 GLN NE2 N 109.827 0.300 1 304 35 35 LEU H H 7.407 0.030 1 305 35 35 LEU HA H 3.837 0.030 1 306 35 35 LEU HB2 H 1.537 0.030 2 307 35 35 LEU HB3 H 1.936 0.030 2 308 35 35 LEU HG H 1.812 0.030 1 309 35 35 LEU HD1 H 1.010 0.030 1 310 35 35 LEU HD2 H 1.084 0.030 1 311 35 35 LEU C C 178.219 0.300 1 312 35 35 LEU CA C 59.222 0.300 1 313 35 35 LEU CB C 41.631 0.300 1 314 35 35 LEU CG C 27.351 0.300 1 315 35 35 LEU CD1 C 23.441 0.300 2 316 35 35 LEU CD2 C 25.603 0.300 2 317 35 35 LEU N N 119.744 0.300 1 318 36 36 VAL H H 7.955 0.030 1 319 36 36 VAL HA H 3.475 0.030 1 320 36 36 VAL HB H 1.900 0.030 1 321 36 36 VAL HG1 H 0.855 0.030 1 322 36 36 VAL HG2 H 1.014 0.030 1 323 36 36 VAL C C 178.341 0.300 1 324 36 36 VAL CA C 66.611 0.300 1 325 36 36 VAL CB C 31.413 0.300 1 326 36 36 VAL CG1 C 21.043 0.300 2 327 36 36 VAL CG2 C 22.476 0.300 2 328 36 36 VAL N N 117.967 0.300 1 329 37 37 GLU H H 8.756 0.030 1 330 37 37 GLU HA H 3.647 0.030 1 331 37 37 GLU HB2 H 0.213 0.030 2 332 37 37 GLU HB3 H 1.155 0.030 2 333 37 37 GLU HG2 H 1.868 0.030 2 334 37 37 GLU HG3 H 1.928 0.030 2 335 37 37 GLU C C 179.239 0.300 1 336 37 37 GLU CA C 60.370 0.300 1 337 37 37 GLU CB C 26.338 0.300 1 338 37 37 GLU CG C 37.767 0.300 1 339 37 37 GLU N N 120.307 0.300 1 340 38 38 ALA H H 7.912 0.030 1 341 38 38 ALA HA H 3.713 0.030 1 342 38 38 ALA HB H 1.211 0.030 1 343 38 38 ALA C C 176.835 0.300 1 344 38 38 ALA CA C 55.821 0.300 1 345 38 38 ALA CB C 17.970 0.300 1 346 38 38 ALA N N 121.563 0.300 1 347 39 39 ILE H H 8.295 0.030 1 348 39 39 ILE HA H 3.487 0.030 1 349 39 39 ILE HB H 1.833 0.030 1 350 39 39 ILE HG12 H 1.987 0.030 2 351 39 39 ILE HG13 H 1.071 0.030 2 352 39 39 ILE HG2 H 0.888 0.030 1 353 39 39 ILE HD1 H 0.794 0.030 1 354 39 39 ILE C C 177.928 0.300 1 355 39 39 ILE CA C 66.258 0.300 1 356 39 39 ILE CB C 38.389 0.300 1 357 39 39 ILE CG1 C 30.787 0.300 1 358 39 39 ILE CG2 C 17.449 0.300 1 359 39 39 ILE CD1 C 14.321 0.300 1 360 39 39 ILE N N 115.949 0.300 1 361 40 40 ASP H H 7.722 0.030 1 362 40 40 ASP HA H 4.399 0.030 1 363 40 40 ASP HB2 H 2.646 0.030 2 364 40 40 ASP HB3 H 2.577 0.030 2 365 40 40 ASP C C 178.316 0.300 1 366 40 40 ASP CA C 57.732 0.300 1 367 40 40 ASP CB C 40.889 0.300 1 368 40 40 ASP N N 117.217 0.300 1 369 41 41 GLU H H 7.670 0.030 1 370 41 41 GLU HA H 3.991 0.030 1 371 41 41 GLU HB2 H 1.977 0.030 2 372 41 41 GLU HB3 H 2.177 0.030 2 373 41 41 GLU HG2 H 2.487 0.030 2 374 41 41 GLU HG3 H 2.282 0.030 2 375 41 41 GLU C C 180.113 0.300 1 376 41 41 GLU CA C 59.312 0.300 1 377 41 41 GLU CB C 29.500 0.300 1 378 41 41 GLU CG C 35.331 0.300 1 379 41 41 GLU N N 118.373 0.300 1 380 42 42 TYR H H 9.064 0.030 1 381 42 42 TYR HA H 4.502 0.030 1 382 42 42 TYR HB2 H 2.905 0.030 2 383 42 42 TYR HB3 H 3.228 0.030 2 384 42 42 TYR HD1 H 6.756 0.030 1 385 42 42 TYR HD2 H 6.756 0.030 1 386 42 42 TYR HE1 H 6.585 0.030 1 387 42 42 TYR HE2 H 6.585 0.030 1 388 42 42 TYR C C 179.215 0.300 1 389 42 42 TYR CA C 57.902 0.300 1 390 42 42 TYR CB C 37.263 0.300 1 391 42 42 TYR CD1 C 130.101 0.300 1 392 42 42 TYR CD2 C 130.101 0.300 1 393 42 42 TYR CE1 C 117.026 0.300 1 394 42 42 TYR CE2 C 117.026 0.300 1 395 42 42 TYR N N 118.208 0.300 1 396 43 43 GLN H H 8.857 0.030 1 397 43 43 GLN HA H 3.992 0.030 1 398 43 43 GLN HB2 H 1.998 0.030 2 399 43 43 GLN HB3 H 2.354 0.030 2 400 43 43 GLN HG2 H 2.798 0.030 2 401 43 43 GLN HG3 H 2.407 0.030 2 402 43 43 GLN HE21 H 7.346 0.030 2 403 43 43 GLN HE22 H 6.948 0.030 2 404 43 43 GLN C C 179.360 0.300 1 405 43 43 GLN CA C 59.524 0.300 1 406 43 43 GLN CB C 28.622 0.300 1 407 43 43 GLN CG C 35.358 0.300 1 408 43 43 GLN N N 117.454 0.300 1 409 43 43 GLN NE2 N 111.310 0.300 1 410 44 44 ILE H H 8.216 0.030 1 411 44 44 ILE HA H 3.651 0.030 1 412 44 44 ILE HB H 1.935 0.030 1 413 44 44 ILE HG12 H 1.087 0.030 2 414 44 44 ILE HG13 H 1.787 0.030 2 415 44 44 ILE HG2 H 0.959 0.030 1 416 44 44 ILE HD1 H 0.834 0.030 1 417 44 44 ILE C C 178.778 0.300 1 418 44 44 ILE CA C 65.024 0.300 1 419 44 44 ILE CB C 38.052 0.300 1 420 44 44 ILE CG1 C 29.732 0.300 1 421 44 44 ILE CG2 C 17.779 0.300 1 422 44 44 ILE CD1 C 13.505 0.300 1 423 44 44 ILE N N 121.344 0.300 1 424 45 45 LEU H H 8.150 0.030 1 425 45 45 LEU HA H 4.253 0.030 1 426 45 45 LEU HB2 H 1.993 0.030 2 427 45 45 LEU HB3 H 1.873 0.030 2 428 45 45 LEU HG H 1.287 0.030 1 429 45 45 LEU HD1 H 0.938 0.030 1 430 45 45 LEU HD2 H 0.958 0.030 1 431 45 45 LEU C C 178.535 0.300 1 432 45 45 LEU CA C 57.975 0.300 1 433 45 45 LEU CB C 40.512 0.300 1 434 45 45 LEU CG C 26.941 0.300 1 435 45 45 LEU CD1 C 23.080 0.300 2 436 45 45 LEU CD2 C 26.405 0.300 2 437 45 45 LEU N N 121.116 0.300 1 438 46 46 ALA H H 8.860 0.030 1 439 46 46 ALA HA H 3.697 0.030 1 440 46 46 ALA HB H 1.497 0.030 1 441 46 46 ALA C C 179.385 0.300 1 442 46 46 ALA CA C 56.174 0.300 1 443 46 46 ALA CB C 18.016 0.300 1 444 46 46 ALA N N 120.613 0.300 1 445 47 47 ARG H H 7.700 0.030 1 446 47 47 ARG HA H 4.073 0.030 1 447 47 47 ARG HB2 H 1.977 0.030 2 448 47 47 ARG HB3 H 1.858 0.030 2 449 47 47 ARG HG2 H 1.727 0.030 2 450 47 47 ARG HG3 H 1.817 0.030 2 451 47 47 ARG HD2 H 3.227 0.030 2 452 47 47 ARG HD3 H 3.171 0.030 2 453 47 47 ARG C C 179.749 0.300 1 454 47 47 ARG CA C 59.347 0.300 1 455 47 47 ARG CB C 30.177 0.300 1 456 47 47 ARG CG C 27.750 0.300 1 457 47 47 ARG CD C 43.654 0.300 1 458 47 47 ARG N N 115.565 0.300 1 459 48 48 HIS H H 7.888 0.030 1 460 48 48 HIS HA H 4.564 0.030 1 461 48 48 HIS HB2 H 3.337 0.030 2 462 48 48 HIS HB3 H 3.295 0.030 2 463 48 48 HIS HD2 H 7.310 0.030 1 464 48 48 HIS HE1 H 7.799 0.030 1 465 48 48 HIS C C 178.948 0.300 1 466 48 48 HIS CA C 59.277 0.300 1 467 48 48 HIS CB C 31.413 0.300 1 468 48 48 HIS CD2 C 119.174 0.300 1 469 48 48 HIS CE1 C 139.073 0.300 1 470 48 48 HIS N N 121.040 0.300 1 471 49 49 LEU H H 8.519 0.030 1 472 49 49 LEU HA H 3.377 0.030 1 473 49 49 LEU HB2 H 1.588 0.030 2 474 49 49 LEU HB3 H 1.031 0.030 2 475 49 49 LEU HG H 1.218 0.030 1 476 49 49 LEU HD1 H 0.284 0.030 1 477 49 49 LEU HD2 H -0.559 0.030 1 478 49 49 LEU CA C 57.892 0.300 1 479 49 49 LEU CB C 40.821 0.300 1 480 49 49 LEU CG C 26.411 0.300 1 481 49 49 LEU CD1 C 26.373 0.300 2 482 49 49 LEU CD2 C 20.858 0.300 2 483 49 49 LEU N N 119.489 0.300 1 484 50 50 GLN H H 8.537 0.030 1 485 50 50 GLN HA H 3.760 0.030 1 486 50 50 GLN HB2 H 2.049 0.030 1 487 50 50 GLN HB3 H 2.049 0.030 1 488 50 50 GLN HG2 H 2.296 0.030 2 489 50 50 GLN HG3 H 2.237 0.030 2 490 50 50 GLN HE21 H 7.214 0.030 2 491 50 50 GLN HE22 H 6.701 0.030 2 492 50 50 GLN C C 177.928 0.300 1 493 50 50 GLN CA C 59.241 0.300 1 494 50 50 GLN CB C 28.436 0.300 1 495 50 50 GLN CG C 33.298 0.300 1 496 50 50 GLN N N 117.941 0.300 1 497 50 50 GLN NE2 N 110.202 0.300 1 498 51 51 LYS H H 7.640 0.030 1 499 51 51 LYS HA H 4.018 0.030 1 500 51 51 LYS HB2 H 2.097 0.030 1 501 51 51 LYS HB3 H 2.097 0.030 1 502 51 51 LYS HG2 H 1.626 0.030 2 503 51 51 LYS HG3 H 1.513 0.030 2 504 51 51 LYS HD2 H 1.781 0.030 1 505 51 51 LYS HD3 H 1.781 0.030 1 506 51 51 LYS HE2 H 3.037 0.030 1 507 51 51 LYS HE3 H 3.037 0.030 1 508 51 51 LYS C C 179.555 0.300 1 509 51 51 LYS CA C 59.347 0.300 1 510 51 51 LYS CB C 32.237 0.300 1 511 51 51 LYS CG C 25.043 0.300 1 512 51 51 LYS CD C 29.563 0.300 1 513 51 51 LYS CE C 42.418 0.300 1 514 51 51 LYS N N 117.875 0.300 1 515 52 52 GLU H H 7.479 0.030 1 516 52 52 GLU HA H 4.299 0.030 1 517 52 52 GLU HB2 H 2.305 0.030 2 518 52 52 GLU HB3 H 2.266 0.030 2 519 52 52 GLU HG2 H 2.737 0.030 2 520 52 52 GLU HG3 H 2.667 0.030 2 521 52 52 GLU C C 178.826 0.300 1 522 52 52 GLU CA C 58.224 0.300 1 523 52 52 GLU CB C 29.441 0.300 1 524 52 52 GLU CG C 36.104 0.300 1 525 52 52 GLU N N 117.531 0.300 1 526 53 53 ALA H H 8.566 0.030 1 527 53 53 ALA HA H 3.946 0.030 1 528 53 53 ALA HB H 1.357 0.030 1 529 53 53 ALA C C 178.826 0.300 1 530 53 53 ALA CA C 54.596 0.300 1 531 53 53 ALA CB C 18.739 0.300 1 532 53 53 ALA N N 120.045 0.300 1 533 54 54 GLN H H 7.579 0.030 1 534 54 54 GLN HA H 4.312 0.030 1 535 54 54 GLN HB2 H 2.016 0.030 2 536 54 54 GLN HB3 H 2.233 0.030 2 537 54 54 GLN HG2 H 2.507 0.030 2 538 54 54 GLN HG3 H 2.417 0.030 2 539 54 54 GLN HE21 H 7.408 0.030 2 540 54 54 GLN HE22 H 6.820 0.030 2 541 54 54 GLN C C 175.985 0.300 1 542 54 54 GLN CA C 55.257 0.300 1 543 54 54 GLN CB C 29.251 0.300 1 544 54 54 GLN CG C 34.051 0.300 1 545 54 54 GLN N N 112.622 0.300 1 546 54 54 GLN NE2 N 111.420 0.300 1 547 55 55 ALA H H 7.413 0.030 1 548 55 55 ALA HA H 4.277 0.030 1 549 55 55 ALA HB H 1.499 0.030 1 550 55 55 ALA C C 178.122 0.300 1 551 55 55 ALA CA C 53.059 0.300 1 552 55 55 ALA CB C 19.511 0.300 1 553 55 55 ALA N N 124.219 0.300 1 554 56 56 GLN H H 8.727 0.030 1 555 56 56 GLN C C 178.948 0.300 1 556 56 56 GLN CA C 58.889 0.300 1 557 56 56 GLN CB C 27.128 0.300 1 558 57 57 HIS HA H 4.575 0.030 1 559 57 57 HIS HB2 H 3.201 0.030 1 560 57 57 HIS HB3 H 3.201 0.030 1 561 57 57 HIS HD2 H 7.114 0.030 1 562 57 57 HIS HE1 H 7.890 0.030 1 563 57 57 HIS CA C 56.964 0.300 1 564 57 57 HIS CB C 30.433 0.300 1 565 57 57 HIS CD2 C 119.750 0.300 1 566 57 57 HIS CE1 C 138.699 0.300 1 567 58 58 ASN HA H 4.746 0.030 1 568 58 58 ASN HB2 H 2.889 0.030 2 569 58 58 ASN HB3 H 2.836 0.030 2 570 58 58 ASN HD21 H 7.029 0.030 2 571 58 58 ASN HD22 H 7.685 0.030 2 572 58 58 ASN CA C 53.505 0.300 1 573 58 58 ASN CB C 38.204 0.300 1 574 58 58 ASN ND2 N 112.715 0.300 1 575 59 59 ASN HA H 4.863 0.030 1 576 59 59 ASN HB2 H 2.724 0.030 2 577 59 59 ASN HB3 H 2.969 0.030 2 578 59 59 ASN HD21 H 6.935 0.030 2 579 59 59 ASN HD22 H 7.572 0.030 2 580 59 59 ASN C C 174.572 0.300 1 581 59 59 ASN CA C 53.388 0.300 1 582 59 59 ASN CB C 38.861 0.300 1 583 59 59 ASN ND2 N 112.218 0.300 1 584 60 60 SER H H 7.751 0.030 1 585 60 60 SER HA H 4.514 0.030 1 586 60 60 SER HB2 H 3.735 0.030 2 587 60 60 SER HB3 H 3.937 0.030 2 588 60 60 SER C C 174.868 0.300 1 589 60 60 SER CA C 57.975 0.300 1 590 60 60 SER CB C 64.400 0.300 1 591 60 60 SER N N 113.513 0.300 1 592 61 61 GLU H H 8.709 0.030 1 593 61 61 GLU HA H 4.209 0.030 1 594 61 61 GLU HB2 H 1.517 0.030 2 595 61 61 GLU HB3 H 1.892 0.030 2 596 61 61 GLU HG2 H 2.117 0.030 2 597 61 61 GLU HG3 H 2.087 0.030 2 598 61 61 GLU C C 176.617 0.300 1 599 61 61 GLU CA C 56.985 0.300 1 600 61 61 GLU CB C 30.259 0.300 1 601 61 61 GLU CG C 36.732 0.300 1 602 61 61 GLU N N 123.090 0.300 1 603 62 62 PHE H H 7.941 0.030 1 604 62 62 PHE HA H 5.057 0.030 1 605 62 62 PHE HB2 H 2.772 0.030 2 606 62 62 PHE HB3 H 3.351 0.030 2 607 62 62 PHE HD1 H 7.467 0.030 1 608 62 62 PHE HD2 H 7.467 0.030 1 609 62 62 PHE HE1 H 7.242 0.030 1 610 62 62 PHE HE2 H 7.242 0.030 1 611 62 62 PHE HZ H 7.067 0.030 1 612 62 62 PHE C C 176.471 0.300 1 613 62 62 PHE CA C 57.690 0.300 1 614 62 62 PHE CB C 40.934 0.300 1 615 62 62 PHE CD1 C 131.884 0.300 1 616 62 62 PHE CD2 C 131.884 0.300 1 617 62 62 PHE CE1 C 130.938 0.300 1 618 62 62 PHE CE2 C 130.938 0.300 1 619 62 62 PHE CZ C 129.244 0.300 1 620 62 62 PHE N N 117.643 0.300 1 621 63 63 THR H H 8.745 0.030 1 622 63 63 THR HA H 4.521 0.030 1 623 63 63 THR HB H 4.877 0.030 1 624 63 63 THR HG2 H 1.437 0.030 1 625 63 63 THR C C 175.475 0.300 1 626 63 63 THR CA C 60.776 0.300 1 627 63 63 THR CB C 71.379 0.300 1 628 63 63 THR CG2 C 21.648 0.300 1 629 63 63 THR N N 112.975 0.300 1 630 64 64 GLU H H 9.103 0.030 1 631 64 64 GLU HA H 4.037 0.030 1 632 64 64 GLU HB2 H 2.147 0.030 1 633 64 64 GLU HB3 H 2.147 0.030 1 634 64 64 GLU HG2 H 2.387 0.030 2 635 64 64 GLU HG3 H 2.467 0.030 2 636 64 64 GLU C C 179.603 0.300 1 637 64 64 GLU CA C 60.244 0.300 1 638 64 64 GLU CB C 29.435 0.300 1 639 64 64 GLU CG C 36.591 0.300 1 640 64 64 GLU N N 120.347 0.300 1 641 65 65 GLU H H 8.717 0.030 1 642 65 65 GLU HA H 4.073 0.030 1 643 65 65 GLU HB2 H 2.083 0.030 1 644 65 65 GLU HB3 H 2.083 0.030 1 645 65 65 GLU HG2 H 2.467 0.030 2 646 65 65 GLU HG3 H 2.387 0.030 2 647 65 65 GLU C C 179.603 0.300 1 648 65 65 GLU CA C 59.876 0.300 1 649 65 65 GLU CB C 29.435 0.300 1 650 65 65 GLU CG C 36.485 0.300 1 651 65 65 GLU N N 118.679 0.300 1 652 66 66 GLN H H 7.751 0.030 1 653 66 66 GLN HA H 4.177 0.030 1 654 66 66 GLN HB2 H 2.682 0.030 2 655 66 66 GLN HB3 H 1.806 0.030 2 656 66 66 GLN HG2 H 2.887 0.030 2 657 66 66 GLN HG3 H 2.597 0.030 2 658 66 66 GLN HE21 H 7.517 0.030 2 659 66 66 GLN HE22 H 7.032 0.030 2 660 66 66 GLN C C 178.948 0.300 1 661 66 66 GLN CA C 58.889 0.300 1 662 66 66 GLN CB C 27.071 0.300 1 663 66 66 GLN CG C 34.423 0.300 1 664 66 66 GLN N N 120.212 0.300 1 665 66 66 GLN NE2 N 109.854 0.300 1 666 67 67 LYS H H 8.736 0.030 1 667 67 67 LYS HA H 3.678 0.030 1 668 67 67 LYS HB2 H 2.019 0.030 2 669 67 67 LYS HB3 H 2.162 0.030 2 670 67 67 LYS HG2 H 1.367 0.030 1 671 67 67 LYS HG3 H 1.367 0.030 1 672 67 67 LYS HD2 H 1.787 0.030 1 673 67 67 LYS HD3 H 1.787 0.030 1 674 67 67 LYS HE2 H 3.097 0.030 1 675 67 67 LYS HE3 H 3.097 0.030 1 676 67 67 LYS C C 178.705 0.300 1 677 67 67 LYS CA C 61.145 0.300 1 678 67 67 LYS CB C 32.126 0.300 1 679 67 67 LYS CG C 27.451 0.300 1 680 67 67 LYS CD C 30.057 0.300 1 681 67 67 LYS CE C 42.088 0.300 1 682 67 67 LYS N N 118.537 0.300 1 683 68 68 LYS H H 7.763 0.030 1 684 68 68 LYS HA H 4.045 0.030 1 685 68 68 LYS HB2 H 1.849 0.030 2 686 68 68 LYS HB3 H 2.056 0.030 2 687 68 68 LYS HG2 H 1.657 0.030 2 688 68 68 LYS HG3 H 1.407 0.030 2 689 68 68 LYS HE2 H 3.025 0.030 1 690 68 68 LYS HE3 H 3.025 0.030 1 691 68 68 LYS C C 179.166 0.300 1 692 68 68 LYS CA C 59.735 0.300 1 693 68 68 LYS CB C 32.319 0.300 1 694 68 68 LYS CG C 25.607 0.300 1 695 68 68 LYS CD C 29.398 0.300 1 696 68 68 LYS CE C 42.088 0.300 1 697 68 68 LYS N N 119.456 0.300 1 698 69 69 THR H H 7.968 0.030 1 699 69 69 THR HA H 3.485 0.030 1 700 69 69 THR HB H 4.454 0.030 1 701 69 69 THR HG2 H 1.217 0.030 1 702 69 69 THR C C 176.107 0.300 1 703 69 69 THR CA C 67.598 0.300 1 704 69 69 THR CB C 67.570 0.300 1 705 69 69 THR CG2 C 22.969 0.300 1 706 69 69 THR N N 118.716 0.300 1 707 70 70 ILE H H 8.500 0.030 1 708 70 70 ILE HA H 3.259 0.030 1 709 70 70 ILE HB H 1.776 0.030 1 710 70 70 ILE HG12 H 1.626 0.030 2 711 70 70 ILE HG13 H 0.560 0.030 2 712 70 70 ILE HG2 H 0.610 0.030 1 713 70 70 ILE HD1 H 0.085 0.030 1 714 70 70 ILE C C 177.855 0.300 1 715 70 70 ILE CA C 66.787 0.300 1 716 70 70 ILE CB C 37.840 0.300 1 717 70 70 ILE CG1 C 30.092 0.300 1 718 70 70 ILE CG2 C 19.410 0.300 1 719 70 70 ILE CD1 C 12.454 0.300 1 720 70 70 ILE N N 122.185 0.300 1 721 71 71 GLY H H 8.422 0.030 1 722 71 71 GLY HA2 H 3.819 0.030 2 723 71 71 GLY HA3 H 3.512 0.030 2 724 71 71 GLY C C 176.859 0.300 1 725 71 71 GLY CA C 47.112 0.300 1 726 71 71 GLY N N 106.531 0.300 1 727 72 72 LYS H H 8.009 0.030 1 728 72 72 LYS HA H 3.696 0.030 1 729 72 72 LYS HB2 H 0.617 0.030 2 730 72 72 LYS HB3 H 1.067 0.030 2 731 72 72 LYS HG2 H 0.714 0.030 2 732 72 72 LYS HG3 H 1.397 0.030 2 733 72 72 LYS HD2 H 1.172 0.030 2 734 72 72 LYS HD3 H 0.937 0.030 2 735 72 72 LYS HE2 H 2.578 0.030 2 736 72 72 LYS HE3 H 2.902 0.030 2 737 72 72 LYS C C 178.729 0.300 1 738 72 72 LYS CA C 60.270 0.300 1 739 72 72 LYS CB C 31.473 0.300 1 740 72 72 LYS CG C 26.267 0.300 1 741 72 72 LYS CD C 30.579 0.300 1 742 72 72 LYS CE C 42.417 0.300 1 743 72 72 LYS N N 123.941 0.300 1 744 73 73 ILE H H 8.038 0.030 1 745 73 73 ILE HA H 3.572 0.030 1 746 73 73 ILE HB H 2.047 0.030 1 747 73 73 ILE HG12 H 2.307 0.030 2 748 73 73 ILE HG13 H 1.085 0.030 2 749 73 73 ILE HG2 H 0.767 0.030 1 750 73 73 ILE HD1 H 0.849 0.030 1 751 73 73 ILE C C 177.442 0.300 1 752 73 73 ILE CA C 66.826 0.300 1 753 73 73 ILE CB C 37.292 0.300 1 754 73 73 ILE CG1 C 30.251 0.300 1 755 73 73 ILE CG2 C 16.671 0.300 1 756 73 73 ILE CD1 C 14.332 0.300 1 757 73 73 ILE N N 121.266 0.300 1 758 74 74 ALA H H 7.959 0.030 1 759 74 74 ALA HA H 3.837 0.030 1 760 74 74 ALA HB H 1.507 0.030 1 761 74 74 ALA C C 178.899 0.300 1 762 74 74 ALA CA C 55.998 0.300 1 763 74 74 ALA CB C 17.965 0.300 1 764 74 74 ALA N N 121.355 0.300 1 765 75 75 THR H H 7.943 0.030 1 766 75 75 THR HA H 3.738 0.030 1 767 75 75 THR HB H 4.267 0.030 1 768 75 75 THR HG2 H 1.140 0.030 1 769 75 75 THR C C 176.274 0.300 1 770 75 75 THR CA C 66.727 0.300 1 771 75 75 THR CB C 68.330 0.300 1 772 75 75 THR CG2 C 22.559 0.300 1 773 75 75 THR N N 115.376 0.300 1 774 76 76 CYS H H 7.670 0.030 1 775 76 76 CYS HA H 3.273 0.030 1 776 76 76 CYS HB2 H 3.029 0.030 2 777 76 76 CYS HB3 H 1.986 0.030 2 778 76 76 CYS C C 175.742 0.300 1 779 76 76 CYS CA C 64.248 0.300 1 780 76 76 CYS CB C 27.286 0.300 1 781 76 76 CYS N N 119.520 0.300 1 782 77 77 LEU H H 7.819 0.030 1 783 77 77 LEU HA H 3.426 0.030 1 784 77 77 LEU HB2 H 1.230 0.030 2 785 77 77 LEU HB3 H 2.102 0.030 2 786 77 77 LEU HG H 1.606 0.030 1 787 77 77 LEU HD1 H 0.691 0.030 1 788 77 77 LEU HD2 H 0.792 0.030 1 789 77 77 LEU C C 179.652 0.300 1 790 77 77 LEU CA C 58.219 0.300 1 791 77 77 LEU CB C 41.697 0.300 1 792 77 77 LEU CG C 26.951 0.300 1 793 77 77 LEU CD1 C 24.561 0.300 2 794 77 77 LEU CD2 C 27.033 0.300 2 795 77 77 LEU N N 120.012 0.300 1 796 78 78 GLU H H 7.714 0.030 1 797 78 78 GLU HA H 4.010 0.030 1 798 78 78 GLU HB2 H 1.976 0.030 2 799 78 78 GLU HB3 H 2.244 0.030 2 800 78 78 GLU HG2 H 2.346 0.030 2 801 78 78 GLU HG3 H 2.038 0.030 2 802 78 78 GLU C C 180.307 0.300 1 803 78 78 GLU CA C 59.770 0.300 1 804 78 78 GLU CB C 29.105 0.300 1 805 78 78 GLU CG C 36.414 0.300 1 806 78 78 GLU N N 120.015 0.300 1 807 79 79 LEU H H 8.296 0.030 1 808 79 79 LEU HA H 4.059 0.030 1 809 79 79 LEU HB2 H 1.095 0.030 2 810 79 79 LEU HB3 H 1.473 0.030 2 811 79 79 LEU HG H 1.675 0.030 1 812 79 79 LEU HD1 H 0.654 0.030 1 813 79 79 LEU HD2 H 0.779 0.030 1 814 79 79 LEU C C 180.599 0.300 1 815 79 79 LEU CA C 57.739 0.300 1 816 79 79 LEU CB C 41.175 0.300 1 817 79 79 LEU CG C 26.161 0.300 1 818 79 79 LEU CD1 C 25.610 0.300 2 819 79 79 LEU CD2 C 22.146 0.300 2 820 79 79 LEU N N 121.748 0.300 1 821 80 80 ARG H H 8.275 0.030 1 822 80 80 ARG HA H 4.298 0.030 1 823 80 80 ARG HB2 H 1.617 0.030 2 824 80 80 ARG HB3 H 1.512 0.030 2 825 80 80 ARG HG2 H 1.768 0.030 2 826 80 80 ARG HG3 H 1.599 0.030 2 827 80 80 ARG HD2 H 3.587 0.030 2 828 80 80 ARG HD3 H 2.619 0.030 2 829 80 80 ARG HE H 9.877 0.030 1 830 80 80 ARG C C 177.661 0.300 1 831 80 80 ARG CA C 57.477 0.300 1 832 80 80 ARG CB C 28.611 0.300 1 833 80 80 ARG CG C 27.155 0.300 1 834 80 80 ARG CD C 43.125 0.300 1 835 80 80 ARG N N 120.723 0.300 1 836 80 80 ARG NE N 84.824 0.300 1 837 81 81 SER H H 8.139 0.030 1 838 81 81 SER HA H 4.148 0.030 1 839 81 81 SER HB2 H 3.957 0.030 2 840 81 81 SER HB3 H 4.137 0.030 2 841 81 81 SER C C 176.277 0.300 1 842 81 81 SER CA C 63.049 0.300 1 843 81 81 SER CB C 63.058 0.300 1 844 81 81 SER N N 114.318 0.300 1 845 82 82 ALA H H 8.077 0.030 1 846 82 82 ALA HA H 4.161 0.030 1 847 82 82 ALA HB H 1.507 0.030 1 848 82 82 ALA C C 180.914 0.300 1 849 82 82 ALA CA C 55.010 0.300 1 850 82 82 ALA CB C 17.981 0.300 1 851 82 82 ALA N N 122.594 0.300 1 852 83 83 ALA H H 7.998 0.030 1 853 83 83 ALA HA H 4.293 0.030 1 854 83 83 ALA HB H 1.789 0.030 1 855 83 83 ALA C C 180.429 0.300 1 856 83 83 ALA CA C 54.917 0.300 1 857 83 83 ALA CB C 18.805 0.300 1 858 83 83 ALA N N 122.331 0.300 1 859 84 84 LEU H H 7.843 0.030 1 860 84 84 LEU HA H 4.267 0.030 1 861 84 84 LEU HB2 H 1.520 0.030 2 862 84 84 LEU HB3 H 2.130 0.030 2 863 84 84 LEU HG H 2.027 0.030 1 864 84 84 LEU HD1 H 1.060 0.030 1 865 84 84 LEU HD2 H 1.117 0.030 1 866 84 84 LEU C C 178.341 0.300 1 867 84 84 LEU CA C 56.480 0.300 1 868 84 84 LEU CB C 43.005 0.300 1 869 84 84 LEU CG C 27.121 0.300 1 870 84 84 LEU CD1 C 23.073 0.300 2 871 84 84 LEU CD2 C 26.381 0.300 2 872 84 84 LEU N N 116.294 0.300 1 873 85 85 GLN H H 7.645 0.030 1 874 85 85 GLN HA H 4.337 0.030 1 875 85 85 GLN HB2 H 2.077 0.030 2 876 85 85 GLN HB3 H 2.288 0.030 2 877 85 85 GLN HG2 H 2.587 0.030 2 878 85 85 GLN HG3 H 2.327 0.030 2 879 85 85 GLN HE21 H 6.865 0.030 2 880 85 85 GLN HE22 H 7.111 0.030 2 881 85 85 GLN C C 175.864 0.300 1 882 85 85 GLN CA C 56.456 0.300 1 883 85 85 GLN CB C 30.506 0.300 1 884 85 85 GLN CG C 35.030 0.300 1 885 85 85 GLN N N 116.684 0.300 1 886 85 85 GLN NE2 N 111.679 0.300 1 887 86 86 SER H H 7.649 0.030 1 888 86 86 SER HA H 4.659 0.030 1 889 86 86 SER HB2 H 4.008 0.030 1 890 86 86 SER HB3 H 4.008 0.030 1 891 86 86 SER C C 174.893 0.300 1 892 86 86 SER CA C 57.690 0.300 1 893 86 86 SER CB C 64.256 0.300 1 894 86 86 SER N N 114.267 0.300 1 895 87 87 THR H H 8.419 0.030 1 896 87 87 THR HA H 4.400 0.030 1 897 87 87 THR HB H 4.377 0.030 1 898 87 87 THR HG2 H 1.280 0.030 1 899 87 87 THR CA C 62.521 0.300 1 900 87 87 THR CB C 69.243 0.300 1 901 87 87 THR CG2 C 21.817 0.300 1 902 87 87 THR N N 115.258 0.300 1 903 88 88 GLN H H 8.472 0.030 1 904 88 88 GLN HA H 4.429 0.030 1 905 88 88 GLN HB2 H 2.022 0.030 2 906 88 88 GLN HB3 H 2.178 0.030 2 907 88 88 GLN HG2 H 2.388 0.030 1 908 88 88 GLN HG3 H 2.388 0.030 1 909 88 88 GLN HE21 H 7.553 0.030 2 910 88 88 GLN HE22 H 6.912 0.030 2 911 88 88 GLN C C 176.034 0.300 1 912 88 88 GLN CA C 56.103 0.300 1 913 88 88 GLN CB C 29.451 0.300 1 914 88 88 GLN CG C 33.854 0.300 1 915 88 88 GLN N N 121.811 0.300 1 916 88 88 GLN NE2 N 112.951 0.300 1 917 89 89 SER H H 8.284 0.030 1 918 89 89 SER HA H 4.471 0.030 1 919 89 89 SER HB2 H 3.938 0.030 2 920 89 89 SER HB3 H 3.903 0.030 2 921 89 89 SER C C 174.820 0.300 1 922 89 89 SER CA C 58.772 0.300 1 923 89 89 SER CB C 63.780 0.300 1 924 89 89 SER N N 116.140 0.300 1 925 90 90 GLN H H 8.292 0.030 1 926 90 90 GLN HA H 4.367 0.030 1 927 90 90 GLN HB2 H 2.058 0.030 2 928 90 90 GLN HB3 H 2.137 0.030 2 929 90 90 GLN HG2 H 2.398 0.030 1 930 90 90 GLN HG3 H 2.398 0.030 1 931 90 90 GLN HE21 H 7.540 0.030 2 932 90 90 GLN HE22 H 6.856 0.030 2 933 90 90 GLN C C 175.645 0.300 1 934 90 90 GLN CA C 56.315 0.300 1 935 90 90 GLN CB C 29.270 0.300 1 936 90 90 GLN CG C 33.854 0.300 1 937 90 90 GLN N N 121.252 0.300 1 938 90 90 GLN NE2 N 112.476 0.300 1 939 91 91 GLU H H 8.378 0.030 1 940 91 91 GLU HA H 4.294 0.030 1 941 91 91 GLU HB2 H 1.887 0.030 2 942 91 91 GLU HB3 H 2.037 0.030 2 943 91 91 GLU HG2 H 2.248 0.030 1 944 91 91 GLU HG3 H 2.248 0.030 1 945 91 91 GLU C C 176.374 0.300 1 946 91 91 GLU CA C 56.236 0.300 1 947 91 91 GLU CB C 30.094 0.300 1 948 91 91 GLU CG C 36.402 0.300 1 949 91 91 GLU N N 120.282 0.300 1 950 92 92 GLU H H 8.598 0.030 1 951 92 92 GLU HA H 4.172 0.030 1 952 92 92 GLU HB2 H 1.997 0.030 2 953 92 92 GLU HB3 H 2.047 0.030 2 954 92 92 GLU HG2 H 2.211 0.030 2 955 92 92 GLU HG3 H 2.246 0.030 2 956 92 92 GLU C C 175.621 0.300 1 957 92 92 GLU CA C 57.267 0.300 1 958 92 92 GLU CB C 30.589 0.300 1 959 92 92 GLU CG C 36.238 0.300 1 960 92 92 GLU N N 122.363 0.300 1 961 93 93 PHE H H 7.556 0.030 1 962 93 93 PHE HA H 4.271 0.030 1 963 93 93 PHE HB2 H 2.550 0.030 2 964 93 93 PHE HB3 H 2.768 0.030 2 965 93 93 PHE HD1 H 6.856 0.030 1 966 93 93 PHE HD2 H 6.856 0.030 1 967 93 93 PHE HE1 H 6.398 0.030 1 968 93 93 PHE HE2 H 6.398 0.030 1 969 93 93 PHE HZ H 6.257 0.030 1 970 93 93 PHE C C 174.893 0.300 1 971 93 93 PHE CA C 59.065 0.300 1 972 93 93 PHE CB C 41.314 0.300 1 973 93 93 PHE CD1 C 131.886 0.300 1 974 93 93 PHE CD2 C 131.886 0.300 1 975 93 93 PHE CE1 C 130.513 0.300 1 976 93 93 PHE CE2 C 130.513 0.300 1 977 93 93 PHE CZ C 128.375 0.300 1 978 93 93 PHE N N 122.510 0.300 1 979 94 94 LYS H H 8.631 0.030 1 980 94 94 LYS HA H 4.155 0.030 1 981 94 94 LYS HB2 H 1.395 0.030 2 982 94 94 LYS HB3 H 2.027 0.030 2 983 94 94 LYS HG2 H 1.457 0.030 2 984 94 94 LYS HG3 H 1.396 0.030 2 985 94 94 LYS HD2 H 1.677 0.030 2 986 94 94 LYS HD3 H 1.602 0.030 2 987 94 94 LYS HE2 H 2.984 0.030 1 988 94 94 LYS HE3 H 2.984 0.030 1 989 94 94 LYS C C 177.539 0.300 1 990 94 94 LYS CA C 56.703 0.300 1 991 94 94 LYS CB C 33.967 0.300 1 992 94 94 LYS CG C 25.221 0.300 1 993 94 94 LYS CD C 28.821 0.300 1 994 94 94 LYS CE C 42.006 0.300 1 995 94 94 LYS N N 127.544 0.300 1 996 95 95 LEU H H 8.973 0.030 1 997 95 95 LEU HA H 3.931 0.030 1 998 95 95 LEU HB2 H 1.625 0.030 2 999 95 95 LEU HB3 H 1.763 0.030 2 1000 95 95 LEU HG H 1.437 0.030 1 1001 95 95 LEU HD1 H 1.123 0.030 1 1002 95 95 LEU HD2 H 0.913 0.030 1 1003 95 95 LEU C C 178.632 0.300 1 1004 95 95 LEU CA C 58.748 0.300 1 1005 95 95 LEU CB C 40.605 0.300 1 1006 95 95 LEU CG C 27.171 0.300 1 1007 95 95 LEU CD1 C 22.025 0.300 2 1008 95 95 LEU CD2 C 25.689 0.300 2 1009 95 95 LEU N N 125.712 0.300 1 1010 96 96 GLU H H 8.960 0.030 1 1011 96 96 GLU HA H 3.841 0.030 1 1012 96 96 GLU HB2 H 1.907 0.030 1 1013 96 96 GLU HB3 H 1.907 0.030 1 1014 96 96 GLU HG2 H 2.210 0.030 1 1015 96 96 GLU HG3 H 2.210 0.030 1 1016 96 96 GLU C C 178.268 0.300 1 1017 96 96 GLU CA C 59.453 0.300 1 1018 96 96 GLU CB C 29.270 0.300 1 1019 96 96 GLU CG C 36.402 0.300 1 1020 96 96 GLU N N 114.998 0.300 1 1021 97 97 ASP H H 6.411 0.030 1 1022 97 97 ASP HA H 4.429 0.030 1 1023 97 97 ASP HB2 H 1.732 0.030 2 1024 97 97 ASP HB3 H 1.611 0.030 2 1025 97 97 ASP C C 176.665 0.300 1 1026 97 97 ASP CA C 56.950 0.300 1 1027 97 97 ASP CB C 39.781 0.300 1 1028 97 97 ASP N N 118.494 0.300 1 1029 98 98 LEU H H 7.470 0.030 1 1030 98 98 LEU HA H 3.945 0.030 1 1031 98 98 LEU HB2 H 2.196 0.030 2 1032 98 98 LEU HB3 H 1.462 0.030 2 1033 98 98 LEU HG H 1.727 0.030 1 1034 98 98 LEU HD1 H 0.740 0.030 1 1035 98 98 LEU HD2 H 0.695 0.030 1 1036 98 98 LEU C C 180.137 0.300 1 1037 98 98 LEU CA C 57.866 0.300 1 1038 98 98 LEU CB C 42.062 0.300 1 1039 98 98 LEU CG C 27.155 0.300 1 1040 98 98 LEU CD1 C 25.277 0.300 2 1041 98 98 LEU CD2 C 24.691 0.300 2 1042 98 98 LEU N N 121.752 0.300 1 1043 99 99 LYS H H 8.331 0.030 1 1044 99 99 LYS HA H 3.896 0.030 1 1045 99 99 LYS HB2 H 1.737 0.030 2 1046 99 99 LYS HB3 H 1.920 0.030 2 1047 99 99 LYS HG2 H 1.357 0.030 1 1048 99 99 LYS HG3 H 1.357 0.030 1 1049 99 99 LYS HD2 H 1.954 0.030 2 1050 99 99 LYS HD3 H 1.882 0.030 2 1051 99 99 LYS HE2 H 2.878 0.030 2 1052 99 99 LYS HE3 H 2.783 0.030 2 1053 99 99 LYS C C 179.967 0.300 1 1054 99 99 LYS CA C 60.023 0.300 1 1055 99 99 LYS CB C 32.072 0.300 1 1056 99 99 LYS CG C 26.184 0.300 1 1057 99 99 LYS CD C 29.151 0.300 1 1058 99 99 LYS CE C 41.511 0.300 1 1059 99 99 LYS N N 115.913 0.300 1 1060 100 100 LYS H H 7.480 0.030 1 1061 100 100 LYS HA H 4.148 0.030 1 1062 100 100 LYS HB2 H 1.927 0.030 2 1063 100 100 LYS HB3 H 2.277 0.030 2 1064 100 100 LYS HG2 H 1.908 0.030 2 1065 100 100 LYS HG3 H 1.561 0.030 2 1066 100 100 LYS HD2 H 1.747 0.030 1 1067 100 100 LYS HD3 H 1.747 0.030 1 1068 100 100 LYS HE2 H 2.975 0.030 1 1069 100 100 LYS HE3 H 2.975 0.030 1 1070 100 100 LYS C C 177.515 0.300 1 1071 100 100 LYS CA C 58.642 0.300 1 1072 100 100 LYS CB C 32.484 0.300 1 1073 100 100 LYS CG C 25.820 0.300 1 1074 100 100 LYS CD C 29.892 0.300 1 1075 100 100 LYS CE C 42.333 0.300 1 1076 100 100 LYS N N 118.270 0.300 1 1077 101 101 LEU H H 8.108 0.030 1 1078 101 101 LEU HA H 4.182 0.030 1 1079 101 101 LEU HB2 H 1.437 0.030 2 1080 101 101 LEU HB3 H 2.262 0.030 2 1081 101 101 LEU HG H 2.318 0.030 1 1082 101 101 LEU HD1 H 0.944 0.030 1 1083 101 101 LEU HD2 H 1.185 0.030 1 1084 101 101 LEU C C 178.146 0.300 1 1085 101 101 LEU CA C 55.398 0.300 1 1086 101 101 LEU CB C 41.451 0.300 1 1087 101 101 LEU CG C 26.499 0.300 1 1088 101 101 LEU CD1 C 23.890 0.300 2 1089 101 101 LEU CD2 C 27.084 0.300 2 1090 101 101 LEU N N 114.052 0.300 1 1091 102 102 GLU H H 7.558 0.030 1 1092 102 102 GLU HA H 4.037 0.030 1 1093 102 102 GLU HB2 H 2.306 0.030 2 1094 102 102 GLU HB3 H 2.116 0.030 2 1095 102 102 GLU HG2 H 2.407 0.030 2 1096 102 102 GLU HG3 H 2.167 0.030 2 1097 102 102 GLU C C 175.402 0.300 1 1098 102 102 GLU CA C 62.344 0.300 1 1099 102 102 GLU CB C 27.292 0.300 1 1100 102 102 GLU CG C 36.601 0.300 1 1101 102 102 GLU N N 119.746 0.300 1 1102 103 103 PRO HA H 4.337 0.030 1 1103 103 103 PRO HB2 H 1.854 0.030 2 1104 103 103 PRO HB3 H 2.329 0.030 2 1105 103 103 PRO HG2 H 2.047 0.030 2 1106 103 103 PRO HG3 H 1.997 0.030 2 1107 103 103 PRO HD2 H 3.897 0.030 2 1108 103 103 PRO HD3 H 3.708 0.030 2 1109 103 103 PRO C C 178.435 0.300 1 1110 103 103 PRO CA C 65.306 0.300 1 1111 103 103 PRO CB C 31.046 0.300 1 1112 103 103 PRO CG C 28.162 0.300 1 1113 103 103 PRO CD C 49.999 0.300 1 1114 104 104 ILE H H 6.415 0.030 1 1115 104 104 ILE HA H 3.214 0.030 1 1116 104 104 ILE HB H 1.624 0.030 1 1117 104 104 ILE HG12 H 0.337 0.030 2 1118 104 104 ILE HG13 H 1.497 0.030 2 1119 104 104 ILE HG2 H 0.252 0.030 1 1120 104 104 ILE HD1 H 0.468 0.030 1 1121 104 104 ILE C C 176.252 0.300 1 1122 104 104 ILE CA C 65.236 0.300 1 1123 104 104 ILE CB C 37.593 0.300 1 1124 104 104 ILE CG1 C 27.646 0.300 1 1125 104 104 ILE CG2 C 15.719 0.300 1 1126 104 104 ILE CD1 C 13.875 0.300 1 1127 104 104 ILE N N 117.751 0.300 1 1128 105 105 LEU H H 7.825 0.030 1 1129 105 105 LEU HA H 3.949 0.030 1 1130 105 105 LEU HB2 H 1.487 0.030 2 1131 105 105 LEU HB3 H 2.014 0.030 2 1132 105 105 LEU HG H 1.837 0.030 1 1133 105 105 LEU HD1 H 1.041 0.030 1 1134 105 105 LEU HD2 H 1.002 0.030 1 1135 105 105 LEU C C 177.806 0.300 1 1136 105 105 LEU CA C 57.916 0.300 1 1137 105 105 LEU CB C 42.549 0.300 1 1138 105 105 LEU CD1 C 23.796 0.300 2 1139 105 105 LEU CD2 C 26.712 0.300 2 1140 105 105 LEU N N 117.463 0.300 1 1141 106 106 LYS H H 7.647 0.030 1 1142 106 106 LYS HA H 4.087 0.030 1 1143 106 106 LYS HB2 H 1.846 0.030 2 1144 106 106 LYS HB3 H 1.804 0.030 2 1145 106 106 LYS HG2 H 1.619 0.030 2 1146 106 106 LYS HG3 H 1.457 0.030 2 1147 106 106 LYS HE2 H 2.993 0.030 1 1148 106 106 LYS HE3 H 2.993 0.030 1 1149 106 106 LYS C C 177.661 0.300 1 1150 106 106 LYS CA C 59.100 0.300 1 1151 106 106 LYS CB C 33.134 0.300 1 1152 106 106 LYS CG C 25.360 0.300 1 1153 106 106 LYS CD C 29.480 0.300 1 1154 106 106 LYS CE C 41.924 0.300 1 1155 106 106 LYS N N 112.629 0.300 1 1156 107 107 ASN H H 7.428 0.030 1 1157 107 107 ASN HA H 5.274 0.030 1 1158 107 107 ASN HB2 H 2.736 0.030 2 1159 107 107 ASN HB3 H 3.176 0.030 2 1160 107 107 ASN HD21 H 7.910 0.030 2 1161 107 107 ASN HD22 H 7.132 0.030 2 1162 107 107 ASN C C 176.592 0.300 1 1163 107 107 ASN CA C 52.895 0.300 1 1164 107 107 ASN CB C 39.086 0.300 1 1165 107 107 ASN N N 113.965 0.300 1 1166 107 107 ASN ND2 N 115.974 0.300 1 1167 108 108 ILE H H 7.115 0.030 1 1168 108 108 ILE HA H 4.110 0.030 1 1169 108 108 ILE HB H 2.381 0.030 1 1170 108 108 ILE HG12 H 1.657 0.030 2 1171 108 108 ILE HG13 H 1.567 0.030 2 1172 108 108 ILE HG2 H 1.119 0.030 1 1173 108 108 ILE HD1 H 0.915 0.030 1 1174 108 108 ILE C C 176.180 0.300 1 1175 108 108 ILE CA C 63.120 0.300 1 1176 108 108 ILE CB C 38.005 0.300 1 1177 108 108 ILE CG1 C 28.951 0.300 1 1178 108 108 ILE CG2 C 19.674 0.300 1 1179 108 108 ILE CD1 C 13.767 0.300 1 1180 108 108 ILE N N 121.041 0.300 1 1181 109 109 LEU H H 8.307 0.030 1 1182 109 109 LEU HA H 4.502 0.030 1 1183 109 109 LEU HB2 H 1.902 0.030 2 1184 109 109 LEU HB3 H 1.717 0.030 2 1185 109 109 LEU HG H 1.897 0.030 1 1186 109 109 LEU HD1 H 1.014 0.030 1 1187 109 109 LEU HD2 H 1.047 0.030 1 1188 109 109 LEU C C 178.535 0.300 1 1189 109 109 LEU CA C 56.809 0.300 1 1190 109 109 LEU CB C 41.323 0.300 1 1191 109 109 LEU CG C 27.581 0.300 1 1192 109 109 LEU CD1 C 25.768 0.300 2 1193 109 109 LEU CD2 C 23.135 0.300 2 1194 109 109 LEU N N 116.011 0.300 1 1195 110 110 THR H H 7.809 0.030 1 1196 110 110 THR HA H 4.581 0.030 1 1197 110 110 THR HB H 4.471 0.030 1 1198 110 110 THR HG2 H 1.163 0.030 1 1199 110 110 THR C C 174.795 0.300 1 1200 110 110 THR CA C 60.776 0.300 1 1201 110 110 THR CB C 70.060 0.300 1 1202 110 110 THR CG2 C 21.563 0.300 1 1203 110 110 THR N N 105.914 0.300 1 1204 111 111 TYR H H 8.014 0.030 1 1205 111 111 TYR HA H 4.431 0.030 1 1206 111 111 TYR HB2 H 3.087 0.030 1 1207 111 111 TYR HB3 H 3.087 0.030 1 1208 111 111 TYR HD1 H 7.226 0.030 1 1209 111 111 TYR HD2 H 7.226 0.030 1 1210 111 111 TYR HE1 H 6.735 0.030 1 1211 111 111 TYR HE2 H 6.735 0.030 1 1212 111 111 TYR C C 176.131 0.300 1 1213 111 111 TYR CA C 60.405 0.300 1 1214 111 111 TYR CB C 38.417 0.300 1 1215 111 111 TYR CD1 C 133.164 0.300 1 1216 111 111 TYR CD2 C 133.164 0.300 1 1217 111 111 TYR CE1 C 119.305 0.300 1 1218 111 111 TYR CE2 C 119.305 0.300 1 1219 111 111 TYR N N 125.183 0.300 1 1220 112 112 ASN HA H 4.894 0.030 1 1221 112 112 ASN HB2 H 2.691 0.030 2 1222 112 112 ASN HB3 H 2.857 0.030 2 1223 112 112 ASN HD21 H 7.483 0.030 2 1224 112 112 ASN HD22 H 6.767 0.030 2 1225 112 112 ASN CA C 52.289 0.300 1 1226 112 112 ASN CB C 38.439 0.300 1 1227 112 112 ASN ND2 N 111.230 0.300 1 1228 113 113 LYS H H 5.709 0.030 1 1229 113 113 LYS HA H 4.400 0.030 1 1230 113 113 LYS HB2 H 1.306 0.030 2 1231 113 113 LYS HB3 H 1.803 0.030 2 1232 113 113 LYS HG2 H 1.230 0.030 2 1233 113 113 LYS HG3 H 1.162 0.030 2 1234 113 113 LYS HD2 H 1.577 0.030 1 1235 113 113 LYS HD3 H 1.577 0.030 1 1236 113 113 LYS HE2 H 2.966 0.030 1 1237 113 113 LYS HE3 H 2.966 0.030 1 1238 113 113 LYS C C 174.990 0.300 1 1239 113 113 LYS CA C 54.308 0.300 1 1240 113 113 LYS CB C 34.045 0.300 1 1241 113 113 LYS CG C 24.624 0.300 1 1242 113 113 LYS CD C 28.904 0.300 1 1243 113 113 LYS CE C 42.088 0.300 1 1244 113 113 LYS N N 117.568 0.300 1 1245 114 114 GLU H H 8.317 0.030 1 1246 114 114 GLU HA H 4.207 0.030 1 1247 114 114 GLU HB2 H 1.860 0.030 1 1248 114 114 GLU HB3 H 1.860 0.030 1 1249 114 114 GLU HG2 H 2.292 0.030 1 1250 114 114 GLU HG3 H 2.292 0.030 1 1251 114 114 GLU C C 176.617 0.300 1 1252 114 114 GLU CA C 56.731 0.300 1 1253 114 114 GLU CB C 29.600 0.300 1 1254 114 114 GLU CG C 36.181 0.300 1 1255 114 114 GLU N N 119.082 0.300 1 1256 115 115 PHE HA H 4.630 0.030 1 1257 115 115 PHE HB2 H 3.520 0.030 2 1258 115 115 PHE HB3 H 3.195 0.030 2 1259 115 115 PHE HD1 H 7.869 0.030 1 1260 115 115 PHE HD2 H 7.869 0.030 1 1261 115 115 PHE HE1 H 7.273 0.030 1 1262 115 115 PHE HE2 H 7.273 0.030 1 1263 115 115 PHE HZ H 7.187 0.030 1 1264 115 115 PHE CB C 39.600 0.300 1 1265 115 115 PHE CD1 C 132.296 0.300 1 1266 115 115 PHE CD2 C 132.296 0.300 1 1267 115 115 PHE CE1 C 131.809 0.300 1 1268 115 115 PHE CE2 C 131.809 0.300 1 1269 115 115 PHE CZ C 130.489 0.300 1 1270 116 116 PRO HA H 4.059 0.030 1 1271 116 116 PRO HB2 H 0.755 0.030 2 1272 116 116 PRO HB3 H 1.788 0.030 2 1273 116 116 PRO HG2 H 1.388 0.030 2 1274 116 116 PRO HG3 H 0.758 0.030 2 1275 116 116 PRO HD2 H 3.286 0.030 2 1276 116 116 PRO HD3 H 1.752 0.030 2 1277 116 116 PRO CA C 64.636 0.300 1 1278 116 116 PRO CB C 31.152 0.300 1 1279 116 116 PRO CG C 26.554 0.300 1 1280 116 116 PRO CD C 50.154 0.300 1 1281 117 117 PHE H H 6.317 0.030 1 1282 117 117 PHE HA H 5.051 0.030 1 1283 117 117 PHE HB2 H 3.486 0.030 2 1284 117 117 PHE HB3 H 2.679 0.030 2 1285 117 117 PHE HD1 H 7.195 0.030 1 1286 117 117 PHE HD2 H 7.195 0.030 1 1287 117 117 PHE HE1 H 7.128 0.030 1 1288 117 117 PHE HE2 H 7.128 0.030 1 1289 117 117 PHE HZ H 7.237 0.030 1 1290 117 117 PHE C C 174.771 0.300 1 1291 117 117 PHE CA C 55.698 0.300 1 1292 117 117 PHE CB C 42.340 0.300 1 1293 117 117 PHE CD1 C 132.155 0.300 1 1294 117 117 PHE CD2 C 132.155 0.300 1 1295 117 117 PHE CE1 C 130.707 0.300 1 1296 117 117 PHE CE2 C 130.707 0.300 1 1297 117 117 PHE CZ C 130.600 0.300 1 1298 117 117 PHE N N 114.332 0.300 1 1299 118 118 ASP H H 9.169 0.030 1 1300 118 118 ASP HA H 4.850 0.030 1 1301 118 118 ASP HB2 H 2.628 0.030 2 1302 118 118 ASP HB3 H 2.897 0.030 2 1303 118 118 ASP CA C 53.717 0.300 1 1304 118 118 ASP CB C 39.563 0.300 1 1305 119 119 VAL H H 7.608 0.030 1 1306 119 119 VAL HA H 4.591 0.030 1 1307 119 119 VAL HB H 2.139 0.030 1 1308 119 119 VAL HG1 H 0.794 0.030 1 1309 119 119 VAL HG2 H 0.891 0.030 1 1310 119 119 VAL C C 175.063 0.300 1 1311 119 119 VAL CA C 59.141 0.300 1 1312 119 119 VAL CB C 34.757 0.300 1 1313 119 119 VAL CG1 C 19.017 0.300 2 1314 119 119 VAL CG2 C 21.757 0.300 2 1315 119 119 VAL N N 116.191 0.300 1 1316 120 120 GLN H H 8.506 0.030 1 1317 120 120 GLN HA H 4.690 0.030 1 1318 120 120 GLN HB2 H 1.788 0.030 2 1319 120 120 GLN HB3 H 2.126 0.030 2 1320 120 120 GLN HG2 H 2.387 0.030 1 1321 120 120 GLN HG3 H 2.387 0.030 1 1322 120 120 GLN HE21 H 7.645 0.030 2 1323 120 120 GLN HE22 H 6.815 0.030 2 1324 120 120 GLN C C 173.897 0.300 1 1325 120 120 GLN CA C 52.723 0.300 1 1326 120 120 GLN CB C 29.040 0.300 1 1327 120 120 GLN CG C 33.297 0.300 1 1328 120 120 GLN N N 121.018 0.300 1 1329 120 120 GLN NE2 N 113.611 0.300 1 1330 121 121 PRO HA H 4.030 0.030 1 1331 121 121 PRO HB2 H 1.909 0.030 2 1332 121 121 PRO HB3 H 2.267 0.030 2 1333 121 121 PRO HG2 H 2.087 0.030 2 1334 121 121 PRO HD2 H 3.671 0.030 2 1335 121 121 PRO HD3 H 3.598 0.030 2 1336 121 121 PRO C C 176.368 0.300 1 1337 121 121 PRO CA C 62.456 0.300 1 1338 121 121 PRO CB C 32.375 0.300 1 1339 121 121 PRO CG C 27.668 0.300 1 1340 121 121 PRO CD C 50.494 0.300 1 1341 122 122 ILE H H 7.702 0.030 1 1342 122 122 ILE HA H 3.978 0.030 1 1343 122 122 ILE HB H 1.786 0.030 1 1344 122 122 ILE HG12 H 1.165 0.030 2 1345 122 122 ILE HG13 H 1.519 0.030 2 1346 122 122 ILE HG2 H 0.824 0.030 1 1347 122 122 ILE HD1 H 0.757 0.030 1 1348 122 122 ILE C C 175.087 0.300 1 1349 122 122 ILE CA C 61.921 0.300 1 1350 122 122 ILE CB C 38.656 0.300 1 1351 122 122 ILE CG1 C 28.127 0.300 1 1352 122 122 ILE CG2 C 17.037 0.300 1 1353 122 122 ILE CD1 C 13.890 0.300 1 1354 122 122 ILE N N 122.962 0.300 1 1355 123 123 SER H H 8.165 0.030 1 1356 123 123 SER HA H 4.468 0.030 1 1357 123 123 SER HB2 H 3.828 0.030 1 1358 123 123 SER HB3 H 3.828 0.030 1 1359 123 123 SER C C 174.383 0.300 1 1360 123 123 SER CA C 57.730 0.300 1 1361 123 123 SER CB C 64.292 0.300 1 1362 123 123 SER N N 119.310 0.300 1 1363 124 124 GLY H H 8.203 0.030 1 1364 124 124 GLY HA2 H 4.157 0.030 2 1365 124 124 GLY HA3 H 4.016 0.030 2 1366 124 124 GLY C C 171.566 0.300 1 1367 124 124 GLY CA C 44.744 0.300 1 1368 124 124 GLY N N 110.109 0.300 1 1369 125 125 PRO HA H 4.467 0.030 1 1370 125 125 PRO HB2 H 1.967 0.030 2 1371 125 125 PRO HB3 H 2.276 0.030 2 1372 125 125 PRO HG2 H 1.898 0.030 2 1373 125 125 PRO HG3 H 2.007 0.030 2 1374 125 125 PRO HD2 H 3.605 0.030 1 1375 125 125 PRO HD3 H 3.605 0.030 1 1376 125 125 PRO CA C 63.184 0.300 1 1377 125 125 PRO CB C 32.117 0.300 1 1378 125 125 PRO CG C 27.304 0.300 1 1379 125 125 PRO CD C 49.761 0.300 1 1380 126 126 SER H H 8.534 0.030 1 1381 126 126 SER HA H 4.523 0.030 1 1382 126 126 SER HB2 H 3.909 0.030 1 1383 126 126 SER HB3 H 3.909 0.030 1 1384 126 126 SER CA C 58.360 0.300 1 1385 126 126 SER CB C 63.880 0.300 1 1386 126 126 SER N N 116.515 0.300 1 1387 127 127 SER H H 8.336 0.030 1 1388 127 127 SER N N 117.896 0.300 1 stop_ save_