data_11405 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assigned chemical shifts of RNA binding domain 3 ; _BMRB_accession_number 11405 _BMRB_flat_file_name bmr11405.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 Tsuda K. . . 2 Kuwasako K. . . 3 Takahashi M. . . 4 Someya T. . . 5 Inoue M. . . 6 Terada T. . . 7 Kobayashi N. . . 8 Shirouzu M. . . 9 Kigawa T. . . 10 Guntert P. . . 11 Muto Y. . . 12 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" 647 "13C chemical shifts" 474 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11406 'Assigned chemical shifts of RNA binding domain 3 in RNA (CUGCUG)' 11407 'Assigned chemical shifts of RNA binding domain 3 in RNA (UAUAUA)' 11408 'Assigned chemical shifts of RNA-binding domain 3 of CUGBP1 in complex with RNA (UG)3' stop_ _Original_release_date 2011-06-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the sequence-specific RNA-recognition mechanism of human CUG-BP1 RRM3.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19553194 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tsuda K. . . 2 Kuwasako K. . . 3 Takahashi M. . . 4 Someya T. . . 5 Inoue M. . . 6 Terada T. . . 7 Kobayashi N. . . 8 Shirouzu M. . . 9 Kigawa T. . . 10 Tanaka A. . . 11 Sugano S. . . 12 Guntert P. . . 13 Muto Y. . . 14 Yokoyama S. . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 37 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5151 _Page_last 5166 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CUG-BP- and ETR-3-like factor 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA recognition motif' $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 'RNA recognition motif' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GSSGSSGLTQQSIGAAGSQK EGPEGANLFIYHLPQEFGDQ DLLQMFMPFGNVVSAKVFID KQTNLSKCFGFVSYDNPVSA QAAIQSMNGFQIGMKRLKVQ LKRSKNDSKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 THR 10 GLN 11 GLN 12 SER 13 ILE 14 GLY 15 ALA 16 ALA 17 GLY 18 SER 19 GLN 20 LYS 21 GLU 22 GLY 23 PRO 24 GLU 25 GLY 26 ALA 27 ASN 28 LEU 29 PHE 30 ILE 31 TYR 32 HIS 33 LEU 34 PRO 35 GLN 36 GLU 37 PHE 38 GLY 39 ASP 40 GLN 41 ASP 42 LEU 43 LEU 44 GLN 45 MET 46 PHE 47 MET 48 PRO 49 PHE 50 GLY 51 ASN 52 VAL 53 VAL 54 SER 55 ALA 56 LYS 57 VAL 58 PHE 59 ILE 60 ASP 61 LYS 62 GLN 63 THR 64 ASN 65 LEU 66 SER 67 LYS 68 CYS 69 PHE 70 GLY 71 PHE 72 VAL 73 SER 74 TYR 75 ASP 76 ASN 77 PRO 78 VAL 79 SER 80 ALA 81 GLN 82 ALA 83 ALA 84 ILE 85 GLN 86 SER 87 MET 88 ASN 89 GLY 90 PHE 91 GLN 92 ILE 93 GLY 94 MET 95 LYS 96 ARG 97 LEU 98 LYS 99 VAL 100 GLN 101 LEU 102 LYS 103 ARG 104 SER 105 LYS 106 ASN 107 ASP 108 SER 109 LYS 110 SER 111 GLY 112 PRO 113 SER 114 SER 115 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 BMRB 11406 "RNA recognition motif" 100.00 115 100.00 100.00 1.06e-75 BMRB 11407 "RNA recognition motif" 100.00 115 100.00 100.00 1.06e-75 BMRB 11408 "RNA RECOGNITION MOTIF, RESIDUES 383-484" 100.00 115 100.00 100.00 1.06e-75 PDB 2CPZ "Solution Structure Of Rna Binding Domain 3 In Cug Triplet Repeat Rna-Binding Protein 1" 100.00 115 100.00 100.00 1.06e-75 PDB 2RQ4 "Refinement Of Rna Binding Domain 3 In Cug Triplet Repeat Rna-Binding Protein 1" 100.00 115 100.00 100.00 1.06e-75 PDB 2RQC "Solution Structure Of Rna-Binding Domain 3 Of Cugbp1 In Complex With Rna (Ug)3" 100.00 115 100.00 100.00 1.06e-75 DBJ BAB29392 "unnamed protein product [Mus musculus]" 88.70 487 100.00 100.00 3.76e-64 DBJ BAE06101 "CUGBP1 variant protein [Homo sapiens]" 88.70 544 100.00 100.00 1.49e-63 DBJ BAE22391 "unnamed protein product [Mus musculus]" 74.78 88 100.00 100.00 3.80e-55 DBJ BAE25504 "unnamed protein product [Mus musculus]" 88.70 486 99.02 100.00 1.56e-63 DBJ BAE33820 "unnamed protein product [Mus musculus]" 88.70 486 99.02 99.02 6.27e-63 EMBL CAC20566 "deadenylation factor CUG-BP [Homo sapiens]" 88.70 486 100.00 100.00 3.68e-64 EMBL CAC20707 "deadenylation factor EDEN-BP [Mus musculus]" 88.70 486 100.00 100.00 4.19e-64 EMBL CAH65197 "hypothetical protein RCJMB04_7f23 [Gallus gallus]" 88.70 485 100.00 100.00 4.86e-64 EMBL CAH91665 "hypothetical protein [Pongo abelii]" 88.70 513 100.00 100.00 6.66e-64 EMBL CAJ82289 "CUG triplet repeat, RNA binding protein 1 [Xenopus (Silurana) tropicalis]" 88.70 490 97.06 99.02 2.35e-62 GB AAC50895 "CUG-BP/hNab50 [Homo sapiens]" 88.70 482 100.00 100.00 3.68e-64 GB AAF78955 "CUG-binding protein LYLQ isoform [Homo sapiens]" 88.70 486 100.00 100.00 3.68e-64 GB AAF78956 "CUG-binding protein A isoform [Homo sapiens]" 88.70 483 100.00 100.00 3.76e-64 GB AAF78957 "CUG-binding protein LYLQ isoform [Mus musculus]" 88.70 486 100.00 100.00 3.18e-64 GB AAF86230 "RNA-binding protein BRUNOL2 [Homo sapiens]" 88.70 486 100.00 100.00 3.68e-64 REF NP_001012539 "CUGBP Elav-like family member 1 [Gallus gallus]" 88.70 485 100.00 100.00 4.86e-64 REF NP_001017152 "CUGBP Elav-like family member 1 [Xenopus (Silurana) tropicalis]" 88.70 490 97.06 99.02 2.35e-62 REF NP_001020592 "CUGBP Elav-like family member 1 [Rattus norvegicus]" 88.70 487 100.00 100.00 3.65e-64 REF NP_001020767 "CUGBP Elav-like family member 1 isoform 3 [Homo sapiens]" 88.70 486 100.00 100.00 3.68e-64 REF NP_001094682 "CUGBP Elav-like family member 1 [Bos taurus]" 88.70 486 99.02 99.02 1.79e-63 SP P28659 "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=50 kDa nuclear polyadenylated RNA-binding protein; A" 88.70 486 100.00 100.00 4.19e-64 SP Q28HE9 "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" 88.70 490 97.06 99.02 2.35e-62 SP Q4QQT3 "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" 88.70 487 100.00 100.00 3.65e-64 SP Q5F3T7 "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" 88.70 489 100.00 100.00 5.01e-64 SP Q5R995 "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" 88.70 513 100.00 100.00 6.66e-64 TPG DAA21780 "TPA: CUG triplet repeat, RNA-binding protein 1 [Bos taurus]" 88.70 486 99.02 99.02 1.79e-63 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 . P040329-21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.37mM {[U-100%} {13C;} U-100% 15N\] protein, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.37 mM '[U-13C; U-15N]' salt 100 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker, Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, and, Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One, Moon, Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9297 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, Mumenthaler, and, Wuthrich' . . 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 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 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_ _Software_label $AMBER $xwinnmr $NMRPipe $NMRView $Kujira stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'RNA recognition motif' _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 6 6 SER HA H 4.466 0.030 1 2 6 6 SER HB2 H 3.890 0.030 2 3 6 6 SER C C 175.010 0.300 1 4 6 6 SER CA C 58.770 0.300 1 5 6 6 SER CB C 63.887 0.300 1 6 7 7 GLY H H 8.392 0.030 1 7 7 7 GLY HA2 H 3.956 0.030 1 8 7 7 GLY HA3 H 3.956 0.030 1 9 7 7 GLY C C 174.132 0.300 1 10 7 7 GLY CA C 45.380 0.300 1 11 7 7 GLY N N 110.589 0.300 1 12 8 8 LEU H H 8.090 0.030 1 13 8 8 LEU HA H 4.398 0.030 1 14 8 8 LEU HB2 H 1.636 0.030 2 15 8 8 LEU HB3 H 1.575 0.030 2 16 8 8 LEU HD1 H 0.901 0.030 1 17 8 8 LEU HD2 H 0.850 0.030 1 18 8 8 LEU HG H 1.593 0.030 1 19 8 8 LEU C C 177.784 0.300 1 20 8 8 LEU CA C 55.343 0.300 1 21 8 8 LEU CB C 42.385 0.300 1 22 8 8 LEU CD1 C 24.606 0.300 2 23 8 8 LEU CD2 C 23.420 0.300 2 24 8 8 LEU CG C 26.964 0.300 1 25 8 8 LEU N N 121.493 0.300 1 26 9 9 THR H H 8.135 0.030 1 27 9 9 THR HA H 4.322 0.030 1 28 9 9 THR HB H 4.221 0.030 1 29 9 9 THR HG2 H 1.182 0.030 1 30 9 9 THR C C 174.557 0.300 1 31 9 9 THR CA C 61.984 0.300 1 32 9 9 THR CB C 69.915 0.300 1 33 9 9 THR CG2 C 21.679 0.300 1 34 9 9 THR N N 114.789 0.300 1 35 10 10 GLN H H 8.401 0.030 1 36 10 10 GLN HA H 4.308 0.030 1 37 10 10 GLN HB2 H 2.082 0.030 2 38 10 10 GLN HB3 H 1.983 0.030 2 39 10 10 GLN HG2 H 2.342 0.030 1 40 10 10 GLN HG3 H 2.342 0.030 1 41 10 10 GLN C C 175.855 0.300 1 42 10 10 GLN CA C 56.023 0.300 1 43 10 10 GLN CB C 29.509 0.300 1 44 10 10 GLN CG C 33.851 0.300 1 45 10 10 GLN N N 122.512 0.300 1 46 11 11 GLN H H 8.376 0.030 1 47 11 11 GLN HA H 4.312 0.030 1 48 11 11 GLN HB2 H 2.082 0.030 2 49 11 11 GLN HB3 H 1.976 0.030 2 50 11 11 GLN HG2 H 2.346 0.030 1 51 11 11 GLN HG3 H 2.346 0.030 1 52 11 11 GLN C C 176.079 0.300 1 53 11 11 GLN CA C 56.069 0.300 1 54 11 11 GLN CB C 29.281 0.300 1 55 11 11 GLN CG C 33.770 0.300 1 56 11 11 GLN N N 121.447 0.300 1 57 12 12 SER H H 8.447 0.030 1 58 12 12 SER HA H 4.476 0.030 1 59 12 12 SER HB2 H 3.873 0.030 1 60 12 12 SER HB3 H 3.873 0.030 1 61 12 12 SER C C 174.875 0.300 1 62 12 12 SER CA C 58.402 0.300 1 63 12 12 SER CB C 63.687 0.300 1 64 12 12 SER N N 117.898 0.300 1 65 13 13 ILE H H 8.240 0.030 1 66 13 13 ILE HA H 4.164 0.030 1 67 13 13 ILE HB H 1.880 0.030 1 68 13 13 ILE HD1 H 0.839 0.030 1 69 13 13 ILE HG12 H 1.464 0.030 2 70 13 13 ILE HG13 H 1.191 0.030 2 71 13 13 ILE HG2 H 0.904 0.030 1 72 13 13 ILE C C 176.973 0.300 1 73 13 13 ILE CA C 61.699 0.300 1 74 13 13 ILE CB C 38.634 0.300 1 75 13 13 ILE CD1 C 13.139 0.300 1 76 13 13 ILE CG1 C 27.449 0.300 1 77 13 13 ILE CG2 C 17.535 0.300 1 78 13 13 ILE N N 122.952 0.300 1 79 14 14 GLY H H 8.445 0.030 1 80 14 14 GLY HA2 H 3.957 0.030 2 81 14 14 GLY HA3 H 3.920 0.030 2 82 14 14 GLY C C 174.004 0.300 1 83 14 14 GLY CA C 45.420 0.300 1 84 14 14 GLY N N 112.602 0.300 1 85 15 15 ALA H H 7.938 0.030 1 86 15 15 ALA HA H 4.291 0.030 1 87 15 15 ALA HB H 1.216 0.030 1 88 15 15 ALA C C 179.170 0.300 1 89 15 15 ALA CA C 53.454 0.300 1 90 15 15 ALA CB C 20.025 0.300 1 91 15 15 ALA N N 122.921 0.300 1 92 16 16 ALA H H 8.250 0.030 1 93 16 16 ALA HA H 4.428 0.030 1 94 16 16 ALA HB H 1.328 0.030 1 95 16 16 ALA C C 178.021 0.300 1 96 16 16 ALA CA C 52.923 0.300 1 97 16 16 ALA CB C 18.044 0.300 1 98 16 16 ALA N N 121.429 0.300 1 99 17 17 GLY H H 9.003 0.030 1 100 17 17 GLY HA2 H 4.194 0.030 2 101 17 17 GLY HA3 H 3.744 0.030 2 102 17 17 GLY C C 174.017 0.300 1 103 17 17 GLY CA C 45.618 0.300 1 104 17 17 GLY N N 111.512 0.300 1 105 18 18 SER H H 7.723 0.030 1 106 18 18 SER HA H 4.436 0.030 1 107 18 18 SER HB2 H 3.927 0.030 1 108 18 18 SER HB3 H 3.927 0.030 1 109 18 18 SER C C 173.013 0.300 1 110 18 18 SER CA C 57.645 0.300 1 111 18 18 SER CB C 64.233 0.300 1 112 18 18 SER N N 115.696 0.300 1 113 19 19 GLN H H 8.340 0.030 1 114 19 19 GLN HA H 4.401 0.030 1 115 19 19 GLN HB2 H 1.956 0.030 2 116 19 19 GLN HB3 H 1.671 0.030 2 117 19 19 GLN HE21 H 7.347 0.030 2 118 19 19 GLN HE22 H 6.771 0.030 2 119 19 19 GLN HG2 H 2.008 0.030 1 120 19 19 GLN HG3 H 2.008 0.030 1 121 19 19 GLN C C 174.929 0.300 1 122 19 19 GLN CA C 54.804 0.300 1 123 19 19 GLN CB C 29.889 0.300 1 124 19 19 GLN CG C 34.357 0.300 1 125 19 19 GLN N N 119.940 0.300 1 126 19 19 GLN NE2 N 111.356 0.300 1 127 20 20 LYS H H 8.099 0.030 1 128 20 20 LYS HA H 4.168 0.030 1 129 20 20 LYS HB2 H 1.610 0.030 1 130 20 20 LYS HB3 H 1.610 0.030 1 131 20 20 LYS HD2 H 1.608 0.030 1 132 20 20 LYS HD3 H 1.608 0.030 1 133 20 20 LYS HE2 H 2.933 0.030 1 134 20 20 LYS HE3 H 2.933 0.030 1 135 20 20 LYS HG2 H 1.380 0.030 2 136 20 20 LYS HG3 H 1.335 0.030 2 137 20 20 LYS C C 175.944 0.300 1 138 20 20 LYS CA C 56.481 0.300 1 139 20 20 LYS CB C 33.098 0.300 1 140 20 20 LYS CD C 29.104 0.300 1 141 20 20 LYS CE C 42.126 0.300 1 142 20 20 LYS CG C 24.758 0.300 1 143 20 20 LYS N N 123.479 0.300 1 144 21 21 GLU H H 8.550 0.030 1 145 21 21 GLU HA H 4.418 0.030 1 146 21 21 GLU HB2 H 2.269 0.030 2 147 21 21 GLU HB3 H 1.917 0.030 2 148 21 21 GLU HG2 H 2.348 0.030 2 149 21 21 GLU HG3 H 2.107 0.030 2 150 21 21 GLU C C 177.700 0.300 1 151 21 21 GLU CA C 56.609 0.300 1 152 21 21 GLU CB C 31.334 0.300 1 153 21 21 GLU CG C 37.170 0.300 1 154 21 21 GLU N N 124.009 0.300 1 155 22 22 GLY H H 9.391 0.030 1 156 22 22 GLY HA2 H 4.408 0.030 2 157 22 22 GLY HA3 H 4.214 0.030 2 158 22 22 GLY C C 171.935 0.300 1 159 22 22 GLY CA C 43.493 0.300 1 160 22 22 GLY N N 110.847 0.300 1 161 23 23 PRO HA H 4.481 0.030 1 162 23 23 PRO HB2 H 2.370 0.030 2 163 23 23 PRO HB3 H 1.910 0.030 2 164 23 23 PRO HD2 H 3.721 0.030 2 165 23 23 PRO HD3 H 3.535 0.030 2 166 23 23 PRO HG2 H 2.015 0.030 2 167 23 23 PRO HG3 H 1.607 0.030 2 168 23 23 PRO C C 174.188 0.300 1 169 23 23 PRO CA C 62.369 0.300 1 170 23 23 PRO CB C 32.731 0.300 1 171 23 23 PRO CD C 48.974 0.300 1 172 23 23 PRO CG C 27.237 0.300 1 173 24 24 GLU H H 8.362 0.030 1 174 24 24 GLU HA H 4.060 0.030 1 175 24 24 GLU HB2 H 2.043 0.030 2 176 24 24 GLU HB3 H 1.917 0.030 2 177 24 24 GLU HG2 H 2.313 0.030 1 178 24 24 GLU HG3 H 2.313 0.030 1 179 24 24 GLU C C 177.901 0.300 1 180 24 24 GLU CA C 58.340 0.300 1 181 24 24 GLU CB C 29.356 0.300 1 182 24 24 GLU CG C 35.936 0.300 1 183 24 24 GLU N N 119.209 0.300 1 184 25 25 GLY H H 8.625 0.030 1 185 25 25 GLY HA2 H 4.353 0.030 2 186 25 25 GLY HA3 H 3.810 0.030 2 187 25 25 GLY C C 173.824 0.300 1 188 25 25 GLY CA C 45.402 0.300 1 189 25 25 GLY N N 113.106 0.300 1 190 26 26 ALA H H 8.346 0.030 1 191 26 26 ALA HA H 4.626 0.030 1 192 26 26 ALA HB H 1.119 0.030 1 193 26 26 ALA C C 174.497 0.300 1 194 26 26 ALA CA C 50.795 0.300 1 195 26 26 ALA CB C 20.855 0.300 1 196 26 26 ALA N N 119.959 0.300 1 197 27 27 ASN H H 7.353 0.030 1 198 27 27 ASN HA H 5.075 0.030 1 199 27 27 ASN HB2 H 2.898 0.030 2 200 27 27 ASN HB3 H 2.455 0.030 2 201 27 27 ASN HD21 H 7.716 0.030 2 202 27 27 ASN HD22 H 6.535 0.030 2 203 27 27 ASN C C 173.293 0.300 1 204 27 27 ASN CA C 53.381 0.300 1 205 27 27 ASN CB C 41.857 0.300 1 206 27 27 ASN N N 115.184 0.300 1 207 27 27 ASN ND2 N 117.101 0.300 1 208 28 28 LEU H H 9.320 0.030 1 209 28 28 LEU HA H 5.081 0.030 1 210 28 28 LEU HB2 H 1.556 0.030 2 211 28 28 LEU HB3 H 1.049 0.030 2 212 28 28 LEU HD1 H 0.730 0.030 1 213 28 28 LEU HD2 H 0.710 0.030 1 214 28 28 LEU HG H 1.429 0.030 1 215 28 28 LEU C C 175.331 0.300 1 216 28 28 LEU CA C 53.761 0.300 1 217 28 28 LEU CB C 45.993 0.300 1 218 28 28 LEU CD1 C 26.668 0.300 2 219 28 28 LEU CD2 C 25.356 0.300 2 220 28 28 LEU CG C 26.629 0.300 1 221 28 28 LEU N N 123.770 0.300 1 222 29 29 PHE H H 9.047 0.030 1 223 29 29 PHE HA H 5.479 0.030 1 224 29 29 PHE HB2 H 2.860 0.030 1 225 29 29 PHE HB3 H 2.860 0.030 1 226 29 29 PHE HD1 H 7.452 0.030 1 227 29 29 PHE HD2 H 7.452 0.030 1 228 29 29 PHE HE1 H 7.364 0.030 1 229 29 29 PHE HE2 H 7.364 0.030 1 230 29 29 PHE HZ H 7.227 0.030 1 231 29 29 PHE C C 174.594 0.300 1 232 29 29 PHE CA C 56.511 0.300 1 233 29 29 PHE CB C 43.320 0.300 1 234 29 29 PHE CD1 C 131.415 0.300 1 235 29 29 PHE CD2 C 131.415 0.300 1 236 29 29 PHE CE1 C 131.130 0.300 1 237 29 29 PHE CE2 C 131.130 0.300 1 238 29 29 PHE CZ C 129.481 0.300 1 239 29 29 PHE N N 117.954 0.300 1 240 30 30 ILE H H 8.524 0.030 1 241 30 30 ILE HA H 5.015 0.030 1 242 30 30 ILE HB H 1.395 0.030 1 243 30 30 ILE HD1 H 0.228 0.030 1 244 30 30 ILE HG12 H 1.071 0.030 2 245 30 30 ILE HG13 H 1.052 0.030 2 246 30 30 ILE HG2 H 0.905 0.030 1 247 30 30 ILE C C 174.442 0.300 1 248 30 30 ILE CA C 59.670 0.300 1 249 30 30 ILE CB C 40.857 0.300 1 250 30 30 ILE CD1 C 16.226 0.300 1 251 30 30 ILE CG1 C 29.934 0.300 1 252 30 30 ILE CG2 C 21.363 0.300 1 253 30 30 ILE N N 121.200 0.300 1 254 31 31 TYR H H 9.457 0.030 1 255 31 31 TYR HA H 4.967 0.030 1 256 31 31 TYR HB2 H 2.660 0.030 2 257 31 31 TYR HB3 H 2.437 0.030 2 258 31 31 TYR HD1 H 6.859 0.030 1 259 31 31 TYR HD2 H 6.859 0.030 1 260 31 31 TYR HE1 H 6.324 0.030 1 261 31 31 TYR HE2 H 6.324 0.030 1 262 31 31 TYR C C 174.527 0.300 1 263 31 31 TYR CA C 56.733 0.300 1 264 31 31 TYR CB C 40.893 0.300 1 265 31 31 TYR CD1 C 133.251 0.300 1 266 31 31 TYR CD2 C 133.251 0.300 1 267 31 31 TYR CE1 C 117.862 0.300 1 268 31 31 TYR CE2 C 117.862 0.300 1 269 31 31 TYR N N 123.296 0.300 1 270 32 32 HIS H H 8.544 0.030 1 271 32 32 HIS HA H 4.457 0.030 1 272 32 32 HIS HB2 H 3.995 0.030 2 273 32 32 HIS HB3 H 3.036 0.030 2 274 32 32 HIS HD2 H 7.062 0.030 1 275 32 32 HIS HE1 H 7.884 0.030 1 276 32 32 HIS C C 174.011 0.300 1 277 32 32 HIS CA C 55.909 0.300 1 278 32 32 HIS CB C 26.578 0.300 1 279 32 32 HIS CD2 C 122.362 0.300 1 280 32 32 HIS CE1 C 138.363 0.300 1 281 32 32 HIS N N 112.360 0.300 1 282 33 33 LEU H H 7.510 0.030 1 283 33 33 LEU HA H 3.983 0.030 1 284 33 33 LEU HB2 H 1.077 0.030 1 285 33 33 LEU HB3 H 1.077 0.030 1 286 33 33 LEU HD1 H 0.618 0.030 1 287 33 33 LEU HD2 H 0.661 0.030 1 288 33 33 LEU HG H 1.410 0.030 1 289 33 33 LEU C C 175.358 0.300 1 290 33 33 LEU CA C 52.857 0.300 1 291 33 33 LEU CB C 42.384 0.300 1 292 33 33 LEU CD1 C 23.578 0.300 2 293 33 33 LEU CD2 C 26.758 0.300 2 294 33 33 LEU CG C 27.090 0.300 1 295 33 33 LEU N N 114.419 0.300 1 296 34 34 PRO HA H 4.353 0.030 1 297 34 34 PRO HB2 H 2.432 0.030 2 298 34 34 PRO HB3 H 1.558 0.030 2 299 34 34 PRO HD2 H 3.337 0.030 2 300 34 34 PRO HD3 H 2.360 0.030 2 301 34 34 PRO HG2 H 1.735 0.030 2 302 34 34 PRO HG3 H 1.487 0.030 2 303 34 34 PRO C C 177.818 0.300 1 304 34 34 PRO CA C 62.778 0.300 1 305 34 34 PRO CB C 32.401 0.300 1 306 34 34 PRO CD C 49.562 0.300 1 307 34 34 PRO CG C 28.346 0.300 1 308 35 35 GLN H H 9.058 0.030 1 309 35 35 GLN HA H 4.148 0.030 1 310 35 35 GLN HB2 H 2.158 0.030 2 311 35 35 GLN HB3 H 2.048 0.030 2 312 35 35 GLN HE21 H 7.637 0.030 2 313 35 35 GLN HE22 H 7.020 0.030 2 314 35 35 GLN HG2 H 2.487 0.030 2 315 35 35 GLN HG3 H 2.378 0.030 2 316 35 35 GLN C C 175.909 0.300 1 317 35 35 GLN CA C 59.036 0.300 1 318 35 35 GLN CB C 28.990 0.300 1 319 35 35 GLN CG C 34.129 0.300 1 320 35 35 GLN N N 125.575 0.300 1 321 35 35 GLN NE2 N 113.049 0.300 1 322 36 36 GLU H H 9.076 0.030 1 323 36 36 GLU HA H 4.340 0.030 1 324 36 36 GLU HB2 H 2.161 0.030 2 325 36 36 GLU HB3 H 2.092 0.030 2 326 36 36 GLU HG2 H 2.357 0.030 1 327 36 36 GLU HG3 H 2.357 0.030 1 328 36 36 GLU C C 176.865 0.300 1 329 36 36 GLU CA C 57.054 0.300 1 330 36 36 GLU CB C 28.620 0.300 1 331 36 36 GLU CG C 36.349 0.300 1 332 36 36 GLU N N 114.528 0.300 1 333 37 37 PHE H H 7.594 0.030 1 334 37 37 PHE HA H 4.585 0.030 1 335 37 37 PHE HB2 H 3.374 0.030 2 336 37 37 PHE HB3 H 2.866 0.030 2 337 37 37 PHE HD1 H 7.025 0.030 1 338 37 37 PHE HD2 H 7.025 0.030 1 339 37 37 PHE HE1 H 7.351 0.030 1 340 37 37 PHE HE2 H 7.351 0.030 1 341 37 37 PHE HZ H 7.353 0.030 1 342 37 37 PHE C C 176.837 0.300 1 343 37 37 PHE CA C 58.598 0.300 1 344 37 37 PHE CB C 39.981 0.300 1 345 37 37 PHE CD1 C 130.112 0.300 1 346 37 37 PHE CD2 C 130.112 0.300 1 347 37 37 PHE CE1 C 132.005 0.300 1 348 37 37 PHE CE2 C 132.005 0.300 1 349 37 37 PHE CZ C 130.237 0.300 1 350 37 37 PHE N N 122.530 0.300 1 351 38 38 GLY H H 9.552 0.030 1 352 38 38 GLY HA2 H 4.632 0.030 2 353 38 38 GLY HA3 H 3.869 0.030 2 354 38 38 GLY C C 174.638 0.300 1 355 38 38 GLY CA C 43.428 0.300 1 356 38 38 GLY N N 114.091 0.300 1 357 39 39 ASP H H 8.559 0.030 1 358 39 39 ASP HA H 3.956 0.030 1 359 39 39 ASP HB2 H 2.709 0.030 2 360 39 39 ASP HB3 H 2.544 0.030 2 361 39 39 ASP C C 178.175 0.300 1 362 39 39 ASP CA C 58.616 0.300 1 363 39 39 ASP CB C 40.937 0.300 1 364 39 39 ASP N N 120.342 0.300 1 365 40 40 GLN H H 8.678 0.030 1 366 40 40 GLN HA H 3.894 0.030 1 367 40 40 GLN HB2 H 2.003 0.030 2 368 40 40 GLN HB3 H 1.976 0.030 2 369 40 40 GLN HE21 H 7.516 0.030 2 370 40 40 GLN HE22 H 6.771 0.030 2 371 40 40 GLN HG2 H 2.348 0.030 1 372 40 40 GLN HG3 H 2.348 0.030 1 373 40 40 GLN C C 178.136 0.300 1 374 40 40 GLN CA C 58.617 0.300 1 375 40 40 GLN CB C 27.758 0.300 1 376 40 40 GLN CG C 33.614 0.300 1 377 40 40 GLN N N 115.731 0.300 1 378 40 40 GLN NE2 N 111.553 0.300 1 379 41 41 ASP H H 7.058 0.030 1 380 41 41 ASP HA H 3.971 0.030 1 381 41 41 ASP HB2 H 1.868 0.030 2 382 41 41 ASP HB3 H 1.106 0.030 2 383 41 41 ASP C C 178.215 0.300 1 384 41 41 ASP CA C 56.788 0.300 1 385 41 41 ASP CB C 39.643 0.300 1 386 41 41 ASP N N 118.318 0.300 1 387 42 42 LEU H H 7.727 0.030 1 388 42 42 LEU HA H 4.155 0.030 1 389 42 42 LEU HB2 H 1.873 0.030 2 390 42 42 LEU HB3 H 1.252 0.030 2 391 42 42 LEU HD1 H 0.949 0.030 1 392 42 42 LEU HD2 H 0.605 0.030 1 393 42 42 LEU HG H 1.361 0.030 1 394 42 42 LEU C C 177.755 0.300 1 395 42 42 LEU CA C 57.787 0.300 1 396 42 42 LEU CB C 42.616 0.300 1 397 42 42 LEU CD1 C 24.997 0.300 2 398 42 42 LEU CD2 C 27.194 0.300 2 399 42 42 LEU CG C 26.466 0.300 1 400 42 42 LEU N N 120.653 0.300 1 401 43 43 LEU H H 8.229 0.030 1 402 43 43 LEU HA H 3.741 0.030 1 403 43 43 LEU HB2 H 1.959 0.030 2 404 43 43 LEU HB3 H 1.454 0.030 2 405 43 43 LEU HD1 H 0.936 0.030 1 406 43 43 LEU HD2 H 0.834 0.030 1 407 43 43 LEU HG H 1.509 0.030 1 408 43 43 LEU C C 178.404 0.300 1 409 43 43 LEU CA C 58.855 0.300 1 410 43 43 LEU CB C 42.135 0.300 1 411 43 43 LEU CD1 C 26.242 0.300 2 412 43 43 LEU CD2 C 24.168 0.300 2 413 43 43 LEU CG C 27.134 0.300 1 414 43 43 LEU N N 118.739 0.300 1 415 44 44 GLN H H 8.014 0.030 1 416 44 44 GLN HA H 3.954 0.030 1 417 44 44 GLN HB2 H 2.112 0.030 1 418 44 44 GLN HB3 H 2.112 0.030 1 419 44 44 GLN HE21 H 7.340 0.030 2 420 44 44 GLN HE22 H 6.812 0.030 2 421 44 44 GLN HG2 H 2.484 0.030 2 422 44 44 GLN HG3 H 2.410 0.030 2 423 44 44 GLN C C 178.290 0.300 1 424 44 44 GLN CA C 58.992 0.300 1 425 44 44 GLN CB C 28.410 0.300 1 426 44 44 GLN CG C 34.115 0.300 1 427 44 44 GLN N N 115.530 0.300 1 428 44 44 GLN NE2 N 111.520 0.300 1 429 45 45 MET H H 7.563 0.030 1 430 45 45 MET HA H 3.972 0.030 1 431 45 45 MET HB2 H 2.320 0.030 2 432 45 45 MET HB3 H 2.143 0.030 2 433 45 45 MET HE H 2.055 0.030 1 434 45 45 MET HG2 H 2.226 0.030 2 435 45 45 MET HG3 H 1.885 0.030 2 436 45 45 MET C C 175.828 0.300 1 437 45 45 MET CA C 58.214 0.300 1 438 45 45 MET CB C 34.392 0.300 1 439 45 45 MET CE C 18.221 0.300 1 440 45 45 MET CG C 32.213 0.300 1 441 45 45 MET N N 116.239 0.300 1 442 46 46 PHE H H 7.588 0.030 1 443 46 46 PHE HA H 4.739 0.030 1 444 46 46 PHE HB2 H 3.580 0.030 2 445 46 46 PHE HB3 H 2.609 0.030 2 446 46 46 PHE HD1 H 7.882 0.030 1 447 46 46 PHE HD2 H 7.882 0.030 1 448 46 46 PHE HE1 H 6.959 0.030 1 449 46 46 PHE HE2 H 6.959 0.030 1 450 46 46 PHE HZ H 6.883 0.030 1 451 46 46 PHE C C 177.609 0.300 1 452 46 46 PHE CA C 60.287 0.300 1 453 46 46 PHE CB C 38.856 0.300 1 454 46 46 PHE CD1 C 132.124 0.300 1 455 46 46 PHE CD2 C 132.124 0.300 1 456 46 46 PHE CE1 C 130.374 0.300 1 457 46 46 PHE CE2 C 130.374 0.300 1 458 46 46 PHE CZ C 128.391 0.300 1 459 46 46 PHE N N 112.888 0.300 1 460 47 47 MET H H 8.441 0.030 1 461 47 47 MET HA H 4.663 0.030 1 462 47 47 MET HB2 H 2.244 0.030 2 463 47 47 MET HB3 H 2.185 0.030 2 464 47 47 MET HE H 2.088 0.030 1 465 47 47 MET HG2 H 2.758 0.030 1 466 47 47 MET HG3 H 2.758 0.030 1 467 47 47 MET C C 174.166 0.300 1 468 47 47 MET CA C 59.580 0.300 1 469 47 47 MET CB C 32.180 0.300 1 470 47 47 MET CE C 16.400 0.300 1 471 47 47 MET CG C 32.105 0.300 1 472 47 47 MET N N 127.705 0.300 1 473 48 48 PRO HA H 4.066 0.030 1 474 48 48 PRO HB2 H 1.884 0.030 2 475 48 48 PRO HB3 H 0.139 0.030 2 476 48 48 PRO HD2 H 3.594 0.030 2 477 48 48 PRO HD3 H 2.866 0.030 2 478 48 48 PRO HG2 H 1.635 0.030 2 479 48 48 PRO HG3 H 1.593 0.030 2 480 48 48 PRO C C 177.191 0.300 1 481 48 48 PRO CA C 65.645 0.300 1 482 48 48 PRO CB C 31.103 0.300 1 483 48 48 PRO CD C 51.644 0.300 1 484 48 48 PRO CG C 27.927 0.300 1 485 49 49 PHE H H 6.568 0.030 1 486 49 49 PHE HA H 4.322 0.030 1 487 49 49 PHE HB2 H 3.381 0.030 2 488 49 49 PHE HB3 H 2.791 0.030 2 489 49 49 PHE HD1 H 7.267 0.030 1 490 49 49 PHE HD2 H 7.267 0.030 1 491 49 49 PHE HE1 H 7.198 0.030 1 492 49 49 PHE HE2 H 7.198 0.030 1 493 49 49 PHE HZ H 7.142 0.030 1 494 49 49 PHE C C 174.994 0.300 1 495 49 49 PHE CA C 58.230 0.300 1 496 49 49 PHE CB C 38.445 0.300 1 497 49 49 PHE CD1 C 131.101 0.300 1 498 49 49 PHE CD2 C 131.101 0.300 1 499 49 49 PHE CE1 C 131.862 0.300 1 500 49 49 PHE CE2 C 131.862 0.300 1 501 49 49 PHE CZ C 129.671 0.300 1 502 49 49 PHE N N 110.079 0.300 1 503 50 50 GLY H H 7.657 0.030 1 504 50 50 GLY HA2 H 4.195 0.030 2 505 50 50 GLY HA3 H 3.884 0.030 2 506 50 50 GLY C C 170.405 0.300 1 507 50 50 GLY CA C 44.877 0.300 1 508 50 50 GLY N N 105.870 0.300 1 509 51 51 ASN H H 9.000 0.030 1 510 51 51 ASN HA H 4.681 0.030 1 511 51 51 ASN HB2 H 2.785 0.030 1 512 51 51 ASN HB3 H 2.785 0.030 1 513 51 51 ASN HD21 H 7.858 0.030 2 514 51 51 ASN HD22 H 6.825 0.030 2 515 51 51 ASN C C 173.618 0.300 1 516 51 51 ASN CA C 53.098 0.300 1 517 51 51 ASN CB C 37.600 0.300 1 518 51 51 ASN N N 117.372 0.300 1 519 51 51 ASN ND2 N 113.579 0.300 1 520 52 52 VAL H H 8.310 0.030 1 521 52 52 VAL HA H 3.723 0.030 1 522 52 52 VAL HB H 1.764 0.030 1 523 52 52 VAL HG1 H 0.710 0.030 1 524 52 52 VAL HG2 H 0.556 0.030 1 525 52 52 VAL C C 176.273 0.300 1 526 52 52 VAL CA C 62.599 0.300 1 527 52 52 VAL CB C 32.251 0.300 1 528 52 52 VAL CG1 C 22.534 0.300 2 529 52 52 VAL CG2 C 23.159 0.300 2 530 52 52 VAL N N 128.261 0.300 1 531 53 53 VAL H H 8.932 0.030 1 532 53 53 VAL HA H 3.713 0.030 1 533 53 53 VAL HB H 1.862 0.030 1 534 53 53 VAL HG1 H 0.700 0.030 1 535 53 53 VAL HG2 H 0.675 0.030 1 536 53 53 VAL C C 176.405 0.300 1 537 53 53 VAL CA C 64.162 0.300 1 538 53 53 VAL CB C 31.853 0.300 1 539 53 53 VAL CG1 C 21.065 0.300 2 540 53 53 VAL CG2 C 20.890 0.300 2 541 53 53 VAL N N 130.896 0.300 1 542 54 54 SER H H 7.180 0.030 1 543 54 54 SER HA H 4.743 0.030 1 544 54 54 SER HB2 H 3.797 0.030 2 545 54 54 SER HB3 H 3.705 0.030 2 546 54 54 SER C C 171.143 0.300 1 547 54 54 SER CA C 57.735 0.300 1 548 54 54 SER CB C 66.486 0.300 1 549 54 54 SER N N 113.745 0.300 1 550 55 55 ALA H H 7.808 0.030 1 551 55 55 ALA HA H 5.089 0.030 1 552 55 55 ALA HB H 1.061 0.030 1 553 55 55 ALA C C 174.579 0.300 1 554 55 55 ALA CA C 51.360 0.300 1 555 55 55 ALA CB C 21.211 0.300 1 556 55 55 ALA N N 123.497 0.300 1 557 56 56 LYS H H 8.835 0.030 1 558 56 56 LYS HA H 4.531 0.030 1 559 56 56 LYS HB2 H 1.577 0.030 2 560 56 56 LYS HB3 H 1.325 0.030 2 561 56 56 LYS HD2 H 1.502 0.030 2 562 56 56 LYS HD3 H 1.284 0.030 2 563 56 56 LYS HE2 H 2.773 0.030 1 564 56 56 LYS HE3 H 2.773 0.030 1 565 56 56 LYS HG2 H 0.809 0.030 2 566 56 56 LYS HG3 H 0.754 0.030 2 567 56 56 LYS C C 173.638 0.300 1 568 56 56 LYS CA C 54.178 0.300 1 569 56 56 LYS CB C 36.615 0.300 1 570 56 56 LYS CD C 28.865 0.300 1 571 56 56 LYS CE C 42.268 0.300 1 572 56 56 LYS CG C 24.461 0.300 1 573 56 56 LYS N N 123.934 0.300 1 574 57 57 VAL H H 8.746 0.030 1 575 57 57 VAL HA H 3.899 0.030 1 576 57 57 VAL HB H 1.845 0.030 1 577 57 57 VAL HG1 H 0.721 0.030 1 578 57 57 VAL HG2 H 0.904 0.030 1 579 57 57 VAL C C 175.863 0.300 1 580 57 57 VAL CA C 62.321 0.300 1 581 57 57 VAL CB C 33.217 0.300 1 582 57 57 VAL CG1 C 23.365 0.300 2 583 57 57 VAL CG2 C 21.364 0.300 2 584 57 57 VAL N N 125.630 0.300 1 585 58 58 PHE H H 8.226 0.030 1 586 58 58 PHE HA H 4.427 0.030 1 587 58 58 PHE HB2 H 2.769 0.030 2 588 58 58 PHE HB3 H 2.080 0.030 2 589 58 58 PHE HD1 H 6.650 0.030 1 590 58 58 PHE HD2 H 6.650 0.030 1 591 58 58 PHE HE1 H 7.081 0.030 1 592 58 58 PHE HE2 H 7.081 0.030 1 593 58 58 PHE HZ H 7.085 0.030 1 594 58 58 PHE C C 174.029 0.300 1 595 58 58 PHE CA C 59.099 0.300 1 596 58 58 PHE CB C 39.035 0.300 1 597 58 58 PHE CD1 C 132.067 0.300 1 598 58 58 PHE CD2 C 132.067 0.300 1 599 58 58 PHE CE1 C 130.619 0.300 1 600 58 58 PHE CE2 C 130.619 0.300 1 601 58 58 PHE CZ C 129.041 0.300 1 602 58 58 PHE N N 126.997 0.300 1 603 59 59 ILE H H 8.311 0.030 1 604 59 59 ILE HA H 4.507 0.030 1 605 59 59 ILE HB H 1.730 0.030 1 606 59 59 ILE HD1 H 0.763 0.030 1 607 59 59 ILE HG12 H 1.334 0.030 1 608 59 59 ILE HG13 H 1.334 0.030 1 609 59 59 ILE HG2 H 0.712 0.030 1 610 59 59 ILE C C 176.176 0.300 1 611 59 59 ILE CA C 58.724 0.300 1 612 59 59 ILE CB C 40.311 0.300 1 613 59 59 ILE CD1 C 11.576 0.300 1 614 59 59 ILE CG1 C 26.856 0.300 1 615 59 59 ILE CG2 C 17.026 0.300 1 616 59 59 ILE N N 121.292 0.300 1 617 60 60 ASP H H 8.701 0.030 1 618 60 60 ASP HA H 4.644 0.030 1 619 60 60 ASP HB2 H 3.293 0.030 2 620 60 60 ASP HB3 H 2.458 0.030 2 621 60 60 ASP C C 176.776 0.300 1 622 60 60 ASP CA C 54.011 0.300 1 623 60 60 ASP CB C 42.618 0.300 1 624 60 60 ASP N N 126.266 0.300 1 625 61 61 LYS H H 8.872 0.030 1 626 61 61 LYS HA H 4.110 0.030 1 627 61 61 LYS HB2 H 1.910 0.030 1 628 61 61 LYS HB3 H 1.910 0.030 1 629 61 61 LYS HD2 H 1.730 0.030 1 630 61 61 LYS HD3 H 1.730 0.030 1 631 61 61 LYS HE2 H 3.037 0.030 1 632 61 61 LYS HE3 H 3.037 0.030 1 633 61 61 LYS HG2 H 1.529 0.030 1 634 61 61 LYS HG3 H 1.529 0.030 1 635 61 61 LYS C C 177.516 0.300 1 636 61 61 LYS CA C 58.244 0.300 1 637 61 61 LYS CB C 32.344 0.300 1 638 61 61 LYS CD C 28.981 0.300 1 639 61 61 LYS CE C 42.152 0.300 1 640 61 61 LYS CG C 24.998 0.300 1 641 61 61 LYS N N 127.452 0.300 1 642 62 62 GLN H H 8.675 0.030 1 643 62 62 GLN HA H 4.279 0.030 1 644 62 62 GLN HB2 H 2.257 0.030 2 645 62 62 GLN HB3 H 2.193 0.030 2 646 62 62 GLN HG2 H 2.436 0.030 2 647 62 62 GLN HG3 H 2.378 0.030 2 648 62 62 GLN C C 177.753 0.300 1 649 62 62 GLN CA C 58.096 0.300 1 650 62 62 GLN CB C 29.293 0.300 1 651 62 62 GLN CG C 34.481 0.300 1 652 62 62 GLN N N 117.096 0.300 1 653 63 63 THR H H 7.778 0.030 1 654 63 63 THR HA H 4.320 0.030 1 655 63 63 THR HB H 4.320 0.030 1 656 63 63 THR HG2 H 1.186 0.030 1 657 63 63 THR C C 175.614 0.300 1 658 63 63 THR CA C 61.613 0.300 1 659 63 63 THR CB C 70.762 0.300 1 660 63 63 THR CG2 C 21.409 0.300 1 661 63 63 THR N N 107.073 0.300 1 662 64 64 ASN H H 8.486 0.030 1 663 64 64 ASN HA H 4.307 0.030 1 664 64 64 ASN HB2 H 3.106 0.030 2 665 64 64 ASN HB3 H 2.843 0.030 2 666 64 64 ASN HD21 H 7.461 0.030 2 667 64 64 ASN HD22 H 6.744 0.030 2 668 64 64 ASN C C 173.800 0.300 1 669 64 64 ASN CA C 55.011 0.300 1 670 64 64 ASN CB C 38.095 0.300 1 671 64 64 ASN N N 116.987 0.300 1 672 64 64 ASN ND2 N 112.288 0.300 1 673 65 65 LEU H H 7.638 0.030 1 674 65 65 LEU HA H 4.628 0.030 1 675 65 65 LEU HB2 H 1.698 0.030 2 676 65 65 LEU HB3 H 1.428 0.030 2 677 65 65 LEU HD1 H 0.903 0.030 1 678 65 65 LEU HD2 H 0.882 0.030 1 679 65 65 LEU HG H 1.586 0.030 1 680 65 65 LEU C C 177.121 0.300 1 681 65 65 LEU CA C 53.653 0.300 1 682 65 65 LEU CB C 44.044 0.300 1 683 65 65 LEU CD1 C 25.009 0.300 2 684 65 65 LEU CD2 C 22.980 0.300 2 685 65 65 LEU CG C 26.356 0.300 1 686 65 65 LEU N N 117.884 0.300 1 687 66 66 SER H H 8.741 0.030 1 688 66 66 SER HA H 4.508 0.030 1 689 66 66 SER HB2 H 4.150 0.030 2 690 66 66 SER HB3 H 3.998 0.030 2 691 66 66 SER C C 177.086 0.300 1 692 66 66 SER CA C 58.608 0.300 1 693 66 66 SER CB C 63.733 0.300 1 694 66 66 SER N N 115.145 0.300 1 695 67 67 LYS H H 9.279 0.030 1 696 67 67 LYS HA H 4.547 0.030 1 697 67 67 LYS HB2 H 2.319 0.030 2 698 67 67 LYS HB3 H 1.676 0.030 2 699 67 67 LYS HD2 H 1.831 0.030 2 700 67 67 LYS HD3 H 1.715 0.030 2 701 67 67 LYS HE2 H 3.024 0.030 1 702 67 67 LYS HE3 H 3.024 0.030 1 703 67 67 LYS HG2 H 1.542 0.030 1 704 67 67 LYS HG3 H 1.542 0.030 1 705 67 67 LYS CA C 56.875 0.300 1 706 67 67 LYS CB C 33.027 0.300 1 707 67 67 LYS CD C 29.560 0.300 1 708 67 67 LYS CE C 42.044 0.300 1 709 67 67 LYS CG C 26.185 0.300 1 710 67 67 LYS N N 125.409 0.300 1 711 68 68 CYS H H 10.208 0.030 1 712 68 68 CYS HA H 3.632 0.030 1 713 68 68 CYS HB2 H 3.568 0.030 2 714 68 68 CYS HB3 H 3.511 0.030 2 715 68 68 CYS C C 176.546 0.300 1 716 68 68 CYS CA C 60.903 0.300 1 717 68 68 CYS CB C 25.009 0.300 1 718 68 68 CYS N N 112.992 0.300 1 719 69 69 PHE H H 7.676 0.030 1 720 69 69 PHE HA H 5.456 0.030 1 721 69 69 PHE HB2 H 3.199 0.030 1 722 69 69 PHE HB3 H 3.199 0.030 1 723 69 69 PHE HD1 H 6.968 0.030 1 724 69 69 PHE HD2 H 6.968 0.030 1 725 69 69 PHE HE1 H 6.891 0.030 1 726 69 69 PHE HE2 H 6.891 0.030 1 727 69 69 PHE HZ H 6.761 0.030 1 728 69 69 PHE C C 172.714 0.300 1 729 69 69 PHE CA C 55.119 0.300 1 730 69 69 PHE CB C 42.732 0.300 1 731 69 69 PHE CD1 C 132.490 0.300 1 732 69 69 PHE CD2 C 132.490 0.300 1 733 69 69 PHE CE1 C 131.281 0.300 1 734 69 69 PHE CE2 C 131.281 0.300 1 735 69 69 PHE CZ C 129.615 0.300 1 736 69 69 PHE N N 115.132 0.300 1 737 70 70 GLY H H 9.326 0.030 1 738 70 70 GLY HA2 H 4.671 0.030 2 739 70 70 GLY HA3 H 3.538 0.030 2 740 70 70 GLY C C 170.110 0.300 1 741 70 70 GLY CA C 45.618 0.300 1 742 70 70 GLY N N 108.035 0.300 1 743 71 71 PHE H H 8.884 0.030 1 744 71 71 PHE HA H 5.480 0.030 1 745 71 71 PHE HB2 H 3.051 0.030 2 746 71 71 PHE HB3 H 2.580 0.030 2 747 71 71 PHE HD1 H 6.730 0.030 1 748 71 71 PHE HD2 H 6.730 0.030 1 749 71 71 PHE HE1 H 6.890 0.030 1 750 71 71 PHE HE2 H 6.890 0.030 1 751 71 71 PHE HZ H 7.133 0.030 1 752 71 71 PHE C C 173.185 0.300 1 753 71 71 PHE CA C 55.329 0.300 1 754 71 71 PHE CB C 44.220 0.300 1 755 71 71 PHE CD1 C 131.916 0.300 1 756 71 71 PHE CD2 C 131.916 0.300 1 757 71 71 PHE CE1 C 130.513 0.300 1 758 71 71 PHE CE2 C 130.513 0.300 1 759 71 71 PHE CZ C 129.692 0.300 1 760 71 71 PHE N N 120.762 0.300 1 761 72 72 VAL H H 7.812 0.030 1 762 72 72 VAL HA H 4.333 0.030 1 763 72 72 VAL HB H 0.904 0.030 1 764 72 72 VAL HG1 H 0.176 0.030 1 765 72 72 VAL HG2 H 0.172 0.030 1 766 72 72 VAL C C 172.608 0.300 1 767 72 72 VAL CA C 59.886 0.300 1 768 72 72 VAL CB C 36.777 0.300 1 769 72 72 VAL CG1 C 22.168 0.300 2 770 72 72 VAL CG2 C 21.060 0.300 2 771 72 72 VAL N N 124.971 0.300 1 772 73 73 SER H H 8.440 0.030 1 773 73 73 SER HA H 5.259 0.030 1 774 73 73 SER HB2 H 4.013 0.030 2 775 73 73 SER HB3 H 3.747 0.030 2 776 73 73 SER C C 174.014 0.300 1 777 73 73 SER CA C 55.062 0.300 1 778 73 73 SER CB C 67.421 0.300 1 779 73 73 SER N N 118.474 0.300 1 780 74 74 TYR H H 8.334 0.030 1 781 74 74 TYR HA H 5.394 0.030 1 782 74 74 TYR HB2 H 3.410 0.030 2 783 74 74 TYR HB3 H 2.765 0.030 2 784 74 74 TYR HD1 H 6.731 0.030 1 785 74 74 TYR HD2 H 6.731 0.030 1 786 74 74 TYR HE1 H 6.501 0.030 1 787 74 74 TYR HE2 H 6.501 0.030 1 788 74 74 TYR C C 174.073 0.300 1 789 74 74 TYR CA C 56.920 0.300 1 790 74 74 TYR CB C 43.410 0.300 1 791 74 74 TYR CD1 C 132.085 0.300 1 792 74 74 TYR CD2 C 132.085 0.300 1 793 74 74 TYR CE1 C 118.131 0.300 1 794 74 74 TYR CE2 C 118.131 0.300 1 795 74 74 TYR N N 119.866 0.300 1 796 75 75 ASP H H 7.856 0.030 1 797 75 75 ASP HA H 4.532 0.030 1 798 75 75 ASP HB2 H 3.171 0.030 2 799 75 75 ASP HB3 H 2.432 0.030 2 800 75 75 ASP C C 176.688 0.300 1 801 75 75 ASP CA C 53.187 0.300 1 802 75 75 ASP CB C 40.618 0.300 1 803 75 75 ASP N N 113.552 0.300 1 804 76 76 ASN H H 7.210 0.030 1 805 76 76 ASN HA H 5.097 0.030 1 806 76 76 ASN HB2 H 2.927 0.030 2 807 76 76 ASN HB3 H 2.879 0.030 2 808 76 76 ASN HD21 H 7.997 0.030 2 809 76 76 ASN HD22 H 7.264 0.030 2 810 76 76 ASN C C 173.406 0.300 1 811 76 76 ASN CA C 51.238 0.300 1 812 76 76 ASN CB C 41.544 0.300 1 813 76 76 ASN N N 113.990 0.300 1 814 76 76 ASN ND2 N 114.813 0.300 1 815 77 77 PRO HA H 4.206 0.030 1 816 77 77 PRO HB2 H 2.257 0.030 2 817 77 77 PRO HB3 H 2.115 0.030 2 818 77 77 PRO HD2 H 4.070 0.030 2 819 77 77 PRO HD3 H 3.570 0.030 2 820 77 77 PRO HG2 H 2.164 0.030 2 821 77 77 PRO HG3 H 2.047 0.030 2 822 77 77 PRO C C 177.637 0.300 1 823 77 77 PRO CA C 64.662 0.300 1 824 77 77 PRO CB C 32.802 0.300 1 825 77 77 PRO CD C 51.598 0.300 1 826 77 77 PRO CG C 27.487 0.300 1 827 78 78 VAL H H 8.056 0.030 1 828 78 78 VAL HA H 3.680 0.030 1 829 78 78 VAL HB H 2.089 0.030 1 830 78 78 VAL HG1 H 1.025 0.030 1 831 78 78 VAL HG2 H 0.940 0.030 1 832 78 78 VAL C C 179.536 0.300 1 833 78 78 VAL CA C 66.457 0.300 1 834 78 78 VAL CB C 31.336 0.300 1 835 78 78 VAL CG1 C 22.393 0.300 2 836 78 78 VAL CG2 C 21.097 0.300 2 837 78 78 VAL N N 121.099 0.300 1 838 79 79 SER H H 7.848 0.030 1 839 79 79 SER HA H 3.988 0.030 1 840 79 79 SER HB2 H 3.207 0.030 2 841 79 79 SER HB3 H 2.839 0.030 2 842 79 79 SER C C 174.024 0.300 1 843 79 79 SER CA C 61.554 0.300 1 844 79 79 SER CB C 62.912 0.300 1 845 79 79 SER N N 117.910 0.300 1 846 80 80 ALA H H 6.349 0.030 1 847 80 80 ALA HA H 3.795 0.030 1 848 80 80 ALA HB H 1.533 0.030 1 849 80 80 ALA C C 178.524 0.300 1 850 80 80 ALA CA C 54.945 0.300 1 851 80 80 ALA CB C 18.376 0.300 1 852 80 80 ALA N N 120.098 0.300 1 853 81 81 GLN H H 7.730 0.030 1 854 81 81 GLN HA H 3.885 0.030 1 855 81 81 GLN HB2 H 2.150 0.030 1 856 81 81 GLN HB3 H 2.150 0.030 1 857 81 81 GLN HE21 H 7.800 0.030 2 858 81 81 GLN HE22 H 6.810 0.030 2 859 81 81 GLN HG2 H 2.492 0.030 1 860 81 81 GLN HG3 H 2.492 0.030 1 861 81 81 GLN C C 178.459 0.300 1 862 81 81 GLN CA C 58.634 0.300 1 863 81 81 GLN CB C 27.835 0.300 1 864 81 81 GLN CG C 33.543 0.300 1 865 81 81 GLN N N 116.011 0.300 1 866 81 81 GLN NE2 N 112.165 0.300 1 867 82 82 ALA H H 7.800 0.030 1 868 82 82 ALA HA H 4.050 0.030 1 869 82 82 ALA HB H 1.587 0.030 1 870 82 82 ALA C C 179.859 0.300 1 871 82 82 ALA CA C 54.962 0.300 1 872 82 82 ALA CB C 17.960 0.300 1 873 82 82 ALA N N 123.033 0.300 1 874 83 83 ALA H H 7.845 0.030 1 875 83 83 ALA HA H 2.347 0.030 1 876 83 83 ALA HB H 1.424 0.030 1 877 83 83 ALA C C 179.900 0.300 1 878 83 83 ALA CA C 54.678 0.300 1 879 83 83 ALA CB C 18.876 0.300 1 880 83 83 ALA N N 121.773 0.300 1 881 84 84 ILE H H 8.071 0.030 1 882 84 84 ILE HA H 3.280 0.030 1 883 84 84 ILE HB H 1.795 0.030 1 884 84 84 ILE HD1 H 0.787 0.030 1 885 84 84 ILE HG12 H 1.776 0.030 2 886 84 84 ILE HG13 H 0.681 0.030 2 887 84 84 ILE HG2 H 0.934 0.030 1 888 84 84 ILE C C 177.995 0.300 1 889 84 84 ILE CA C 66.474 0.300 1 890 84 84 ILE CB C 38.644 0.300 1 891 84 84 ILE CD1 C 14.221 0.300 1 892 84 84 ILE CG1 C 30.336 0.300 1 893 84 84 ILE CG2 C 17.551 0.300 1 894 84 84 ILE N N 118.566 0.300 1 895 85 85 GLN H H 7.841 0.030 1 896 85 85 GLN HA H 3.965 0.030 1 897 85 85 GLN HB2 H 2.125 0.030 1 898 85 85 GLN HB3 H 2.125 0.030 1 899 85 85 GLN HE21 H 7.478 0.030 2 900 85 85 GLN HE22 H 6.863 0.030 2 901 85 85 GLN HG2 H 2.464 0.030 1 902 85 85 GLN HG3 H 2.464 0.030 1 903 85 85 GLN C C 178.613 0.300 1 904 85 85 GLN CA C 58.724 0.300 1 905 85 85 GLN CB C 28.410 0.300 1 906 85 85 GLN CG C 33.848 0.300 1 907 85 85 GLN N N 116.799 0.300 1 908 85 85 GLN NE2 N 112.021 0.300 1 909 86 86 SER H H 7.536 0.030 1 910 86 86 SER HA H 4.448 0.030 1 911 86 86 SER HB2 H 3.681 0.030 2 912 86 86 SER HB3 H 3.490 0.030 2 913 86 86 SER C C 175.615 0.300 1 914 86 86 SER CA C 61.587 0.300 1 915 86 86 SER CB C 64.849 0.300 1 916 86 86 SER N N 110.691 0.300 1 917 87 87 MET H H 8.318 0.030 1 918 87 87 MET HA H 4.915 0.030 1 919 87 87 MET HB2 H 2.064 0.030 2 920 87 87 MET HB3 H 1.853 0.030 2 921 87 87 MET HE H 1.147 0.030 1 922 87 87 MET HG2 H 1.964 0.030 2 923 87 87 MET HG3 H 1.881 0.030 2 924 87 87 MET C C 177.859 0.300 1 925 87 87 MET CA C 53.837 0.300 1 926 87 87 MET CB C 31.472 0.300 1 927 87 87 MET CE C 15.730 0.300 1 928 87 87 MET CG C 32.352 0.300 1 929 87 87 MET N N 114.353 0.300 1 930 88 88 ASN H H 8.367 0.030 1 931 88 88 ASN HA H 4.537 0.030 1 932 88 88 ASN HB2 H 3.117 0.030 2 933 88 88 ASN HB3 H 2.984 0.030 2 934 88 88 ASN HD21 H 7.891 0.030 2 935 88 88 ASN HD22 H 7.057 0.030 2 936 88 88 ASN C C 176.678 0.300 1 937 88 88 ASN CA C 56.519 0.300 1 938 88 88 ASN CB C 38.751 0.300 1 939 88 88 ASN N N 118.768 0.300 1 940 88 88 ASN ND2 N 114.646 0.300 1 941 89 89 GLY H H 8.998 0.030 1 942 89 89 GLY HA2 H 4.394 0.030 2 943 89 89 GLY HA3 H 3.673 0.030 2 944 89 89 GLY C C 173.173 0.300 1 945 89 89 GLY CA C 45.695 0.300 1 946 89 89 GLY N N 118.146 0.300 1 947 90 90 PHE H H 7.935 0.030 1 948 90 90 PHE HA H 4.265 0.030 1 949 90 90 PHE HB2 H 3.348 0.030 2 950 90 90 PHE HB3 H 3.000 0.030 2 951 90 90 PHE HD1 H 7.122 0.030 1 952 90 90 PHE HD2 H 7.122 0.030 1 953 90 90 PHE HE1 H 7.312 0.030 1 954 90 90 PHE HE2 H 7.312 0.030 1 955 90 90 PHE HZ H 7.316 0.030 1 956 90 90 PHE C C 174.811 0.300 1 957 90 90 PHE CA C 59.321 0.300 1 958 90 90 PHE CB C 41.098 0.300 1 959 90 90 PHE CD1 C 131.990 0.300 1 960 90 90 PHE CD2 C 131.990 0.300 1 961 90 90 PHE CE1 C 131.257 0.300 1 962 90 90 PHE CE2 C 131.257 0.300 1 963 90 90 PHE CZ C 129.728 0.300 1 964 90 90 PHE N N 123.339 0.300 1 965 91 91 GLN H H 8.032 0.030 1 966 91 91 GLN HA H 4.655 0.030 1 967 91 91 GLN HB2 H 1.825 0.030 2 968 91 91 GLN HB3 H 1.717 0.030 2 969 91 91 GLN HE21 H 7.394 0.030 2 970 91 91 GLN HE22 H 6.657 0.030 2 971 91 91 GLN HG2 H 2.091 0.030 1 972 91 91 GLN HG3 H 2.091 0.030 1 973 91 91 GLN C C 174.346 0.300 1 974 91 91 GLN CA C 55.804 0.300 1 975 91 91 GLN CB C 29.126 0.300 1 976 91 91 GLN CG C 33.552 0.300 1 977 91 91 GLN N N 128.571 0.300 1 978 91 91 GLN NE2 N 110.801 0.300 1 979 92 92 ILE H H 8.486 0.030 1 980 92 92 ILE HA H 4.225 0.030 1 981 92 92 ILE HB H 1.757 0.030 1 982 92 92 ILE HD1 H 0.945 0.030 1 983 92 92 ILE HG12 H 1.581 0.030 2 984 92 92 ILE HG13 H 1.098 0.030 2 985 92 92 ILE HG2 H 0.899 0.030 1 986 92 92 ILE C C 175.579 0.300 1 987 92 92 ILE CA C 60.088 0.300 1 988 92 92 ILE CB C 39.723 0.300 1 989 92 92 ILE CD1 C 14.797 0.300 1 990 92 92 ILE CG1 C 27.853 0.300 1 991 92 92 ILE CG2 C 16.727 0.300 1 992 92 92 ILE N N 126.294 0.300 1 993 93 93 GLY H H 8.960 0.030 1 994 93 93 GLY HA2 H 3.922 0.030 2 995 93 93 GLY HA3 H 3.668 0.030 2 996 93 93 GLY C C 175.206 0.300 1 997 93 93 GLY CA C 46.975 0.300 1 998 93 93 GLY N N 117.743 0.300 1 999 94 94 MET H H 8.953 0.030 1 1000 94 94 MET HA H 4.438 0.030 1 1001 94 94 MET HB2 H 2.269 0.030 2 1002 94 94 MET HB3 H 2.004 0.030 2 1003 94 94 MET HE H 2.078 0.030 1 1004 94 94 MET HG2 H 2.655 0.030 2 1005 94 94 MET HG3 H 2.521 0.030 2 1006 94 94 MET C C 176.056 0.300 1 1007 94 94 MET CA C 55.454 0.300 1 1008 94 94 MET CB C 32.226 0.300 1 1009 94 94 MET CE C 16.868 0.300 1 1010 94 94 MET CG C 32.334 0.300 1 1011 94 94 MET N N 123.051 0.300 1 1012 95 95 LYS H H 7.860 0.030 1 1013 95 95 LYS HA H 4.560 0.030 1 1014 95 95 LYS HB2 H 1.898 0.030 1 1015 95 95 LYS HB3 H 1.898 0.030 1 1016 95 95 LYS HD2 H 1.453 0.030 1 1017 95 95 LYS HD3 H 1.453 0.030 1 1018 95 95 LYS HE2 H 2.930 0.030 2 1019 95 95 LYS HE3 H 2.864 0.030 2 1020 95 95 LYS HG2 H 1.359 0.030 2 1021 95 95 LYS HG3 H 1.286 0.030 2 1022 95 95 LYS C C 174.668 0.300 1 1023 95 95 LYS CA C 55.102 0.300 1 1024 95 95 LYS CB C 35.328 0.300 1 1025 95 95 LYS CD C 28.992 0.300 1 1026 95 95 LYS CE C 42.339 0.300 1 1027 95 95 LYS CG C 25.384 0.300 1 1028 95 95 LYS N N 119.608 0.300 1 1029 96 96 ARG H H 8.107 0.030 1 1030 96 96 ARG HA H 4.870 0.030 1 1031 96 96 ARG HB2 H 1.585 0.030 2 1032 96 96 ARG HB3 H 1.398 0.030 2 1033 96 96 ARG HD2 H 3.169 0.030 2 1034 96 96 ARG HD3 H 3.117 0.030 2 1035 96 96 ARG HG2 H 1.524 0.030 2 1036 96 96 ARG HG3 H 1.283 0.030 2 1037 96 96 ARG C C 176.092 0.300 1 1038 96 96 ARG CA C 54.420 0.300 1 1039 96 96 ARG CB C 31.935 0.300 1 1040 96 96 ARG CD C 43.464 0.300 1 1041 96 96 ARG CG C 28.117 0.300 1 1042 96 96 ARG N N 119.439 0.300 1 1043 97 97 LEU H H 9.079 0.030 1 1044 97 97 LEU HA H 4.552 0.030 1 1045 97 97 LEU HB2 H 2.289 0.030 2 1046 97 97 LEU HB3 H 1.427 0.030 2 1047 97 97 LEU HD1 H 0.793 0.030 1 1048 97 97 LEU HD2 H 0.973 0.030 1 1049 97 97 LEU HG H 2.099 0.030 1 1050 97 97 LEU C C 178.274 0.300 1 1051 97 97 LEU CA C 55.869 0.300 1 1052 97 97 LEU CB C 43.368 0.300 1 1053 97 97 LEU CD1 C 23.856 0.300 2 1054 97 97 LEU CD2 C 26.117 0.300 2 1055 97 97 LEU CG C 26.935 0.300 1 1056 97 97 LEU N N 122.504 0.300 1 1057 98 98 LYS H H 8.093 0.030 1 1058 98 98 LYS HA H 5.208 0.030 1 1059 98 98 LYS HB2 H 1.763 0.030 1 1060 98 98 LYS HB3 H 1.763 0.030 1 1061 98 98 LYS HD2 H 1.693 0.030 2 1062 98 98 LYS HD3 H 1.587 0.030 2 1063 98 98 LYS HE2 H 2.830 0.030 1 1064 98 98 LYS HE3 H 2.830 0.030 1 1065 98 98 LYS HG2 H 1.555 0.030 2 1066 98 98 LYS HG3 H 1.289 0.030 2 1067 98 98 LYS C C 174.480 0.300 1 1068 98 98 LYS CA C 54.929 0.300 1 1069 98 98 LYS CB C 35.115 0.300 1 1070 98 98 LYS CD C 29.216 0.300 1 1071 98 98 LYS CE C 41.945 0.300 1 1072 98 98 LYS CG C 24.990 0.300 1 1073 98 98 LYS N N 123.488 0.300 1 1074 99 99 VAL H H 8.770 0.030 1 1075 99 99 VAL HA H 4.946 0.030 1 1076 99 99 VAL HB H 1.873 0.030 1 1077 99 99 VAL HG1 H 0.887 0.030 1 1078 99 99 VAL HG2 H 1.028 0.030 1 1079 99 99 VAL C C 174.013 0.300 1 1080 99 99 VAL CA C 61.338 0.300 1 1081 99 99 VAL CB C 34.126 0.300 1 1082 99 99 VAL CG1 C 23.561 0.300 2 1083 99 99 VAL CG2 C 21.750 0.300 2 1084 99 99 VAL N N 126.988 0.300 1 1085 100 100 GLN H H 9.146 0.030 1 1086 100 100 GLN HA H 4.854 0.030 1 1087 100 100 GLN HB2 H 2.236 0.030 2 1088 100 100 GLN HB3 H 2.099 0.030 2 1089 100 100 GLN HE21 H 7.663 0.030 2 1090 100 100 GLN HE22 H 6.860 0.030 2 1091 100 100 GLN HG2 H 2.422 0.030 2 1092 100 100 GLN HG3 H 2.382 0.030 2 1093 100 100 GLN C C 173.981 0.300 1 1094 100 100 GLN CA C 53.627 0.300 1 1095 100 100 GLN CB C 33.972 0.300 1 1096 100 100 GLN CG C 33.717 0.300 1 1097 100 100 GLN N N 123.707 0.300 1 1098 100 100 GLN NE2 N 111.747 0.300 1 1099 101 101 LEU H H 8.735 0.030 1 1100 101 101 LEU HA H 4.523 0.030 1 1101 101 101 LEU HB2 H 1.594 0.030 1 1102 101 101 LEU HB3 H 1.594 0.030 1 1103 101 101 LEU HD1 H 0.929 0.030 1 1104 101 101 LEU HD2 H 0.834 0.030 1 1105 101 101 LEU HG H 1.659 0.030 1 1106 101 101 LEU C C 177.664 0.300 1 1107 101 101 LEU CA C 55.610 0.300 1 1108 101 101 LEU CB C 42.820 0.300 1 1109 101 101 LEU CD1 C 25.330 0.300 2 1110 101 101 LEU CD2 C 24.142 0.300 2 1111 101 101 LEU CG C 26.802 0.300 1 1112 101 101 LEU N N 123.051 0.300 1 1113 102 102 LYS H H 8.442 0.030 1 1114 102 102 LYS HA H 4.304 0.030 1 1115 102 102 LYS HB2 H 1.598 0.030 2 1116 102 102 LYS HB3 H 1.267 0.030 2 1117 102 102 LYS HD2 H 1.454 0.030 2 1118 102 102 LYS HD3 H 1.378 0.030 2 1119 102 102 LYS HE2 H 2.868 0.030 1 1120 102 102 LYS HE3 H 2.868 0.030 1 1121 102 102 LYS HG2 H 1.323 0.030 1 1122 102 102 LYS HG3 H 1.323 0.030 1 1123 102 102 LYS C C 175.657 0.300 1 1124 102 102 LYS CA C 56.644 0.300 1 1125 102 102 LYS CB C 33.626 0.300 1 1126 102 102 LYS CD C 30.001 0.300 1 1127 102 102 LYS CE C 41.985 0.300 1 1128 102 102 LYS CG C 25.017 0.300 1 1129 102 102 LYS N N 124.766 0.300 1 1130 103 103 ARG H H 8.583 0.030 1 1131 103 103 ARG HA H 4.453 0.030 1 1132 103 103 ARG HB2 H 1.863 0.030 2 1133 103 103 ARG HB3 H 1.751 0.030 2 1134 103 103 ARG HD2 H 3.202 0.030 1 1135 103 103 ARG HD3 H 3.202 0.030 1 1136 103 103 ARG HG2 H 1.640 0.030 1 1137 103 103 ARG HG3 H 1.640 0.030 1 1138 103 103 ARG C C 176.188 0.300 1 1139 103 103 ARG CA C 55.983 0.300 1 1140 103 103 ARG CB C 31.356 0.300 1 1141 103 103 ARG CD C 43.468 0.300 1 1142 103 103 ARG CG C 27.344 0.300 1 1143 103 103 ARG N N 126.315 0.300 1 1144 104 104 SER H H 8.642 0.030 1 1145 104 104 SER HA H 4.445 0.030 1 1146 104 104 SER HB2 H 3.877 0.030 1 1147 104 104 SER HB3 H 3.877 0.030 1 1148 104 104 SER C C 176.196 0.300 1 1149 104 104 SER CA C 58.353 0.300 1 1150 104 104 SER CB C 64.040 0.300 1 1151 104 104 SER N N 118.571 0.300 1 1152 105 105 LYS H H 9.284 0.030 1 1153 105 105 LYS HA H 4.285 0.030 1 1154 105 105 LYS HB2 H 1.817 0.030 2 1155 105 105 LYS HB3 H 1.757 0.030 2 1156 105 105 LYS HD2 H 1.663 0.030 1 1157 105 105 LYS HD3 H 1.663 0.030 1 1158 105 105 LYS HE2 H 2.981 0.030 1 1159 105 105 LYS HE3 H 2.981 0.030 1 1160 105 105 LYS HG2 H 1.406 0.030 1 1161 105 105 LYS HG3 H 1.406 0.030 1 1162 105 105 LYS C C 176.537 0.300 1 1163 105 105 LYS CA C 56.795 0.300 1 1164 105 105 LYS CB C 32.993 0.300 1 1165 105 105 LYS CD C 29.172 0.300 1 1166 105 105 LYS CE C 42.150 0.300 1 1167 105 105 LYS CG C 24.609 0.300 1 1168 105 105 LYS N N 125.383 0.300 1 1169 106 106 ASN HA H 4.690 0.030 1 1170 106 106 ASN HB2 H 2.821 0.030 2 1171 106 106 ASN HB3 H 2.698 0.030 2 1172 106 106 ASN HD21 H 7.592 0.030 2 1173 106 106 ASN HD22 H 6.918 0.030 2 1174 106 106 ASN C C 174.916 0.300 1 1175 106 106 ASN CA C 53.348 0.300 1 1176 106 106 ASN CB C 38.885 0.300 1 1177 106 106 ASN ND2 N 113.023 0.300 1 1178 107 107 ASP H H 8.222 0.030 1 1179 107 107 ASP HA H 4.609 0.030 1 1180 107 107 ASP HB2 H 2.678 0.030 1 1181 107 107 ASP HB3 H 2.678 0.030 1 1182 107 107 ASP C C 176.395 0.300 1 1183 107 107 ASP CA C 54.381 0.300 1 1184 107 107 ASP CB C 41.302 0.300 1 1185 107 107 ASP N N 121.148 0.300 1 1186 108 108 SER H H 8.264 0.030 1 1187 108 108 SER HA H 4.381 0.030 1 1188 108 108 SER HB2 H 3.877 0.030 1 1189 108 108 SER HB3 H 3.877 0.030 1 1190 108 108 SER C C 174.810 0.300 1 1191 108 108 SER CA C 58.807 0.300 1 1192 108 108 SER CB C 63.674 0.300 1 1193 108 108 SER N N 116.293 0.300 1 1194 109 109 LYS H H 8.347 0.030 1 1195 109 109 LYS HA H 4.360 0.030 1 1196 109 109 LYS HB2 H 1.874 0.030 2 1197 109 109 LYS HB3 H 1.773 0.030 2 1198 109 109 LYS HD2 H 1.663 0.030 1 1199 109 109 LYS HD3 H 1.663 0.030 1 1200 109 109 LYS HE2 H 2.980 0.030 1 1201 109 109 LYS HE3 H 2.980 0.030 1 1202 109 109 LYS HG2 H 1.442 0.030 2 1203 109 109 LYS HG3 H 1.402 0.030 2 1204 109 109 LYS C C 176.699 0.300 1 1205 109 109 LYS CA C 56.483 0.300 1 1206 109 109 LYS CB C 32.736 0.300 1 1207 109 109 LYS CD C 29.074 0.300 1 1208 109 109 LYS CE C 42.041 0.300 1 1209 109 109 LYS CG C 24.731 0.300 1 1210 109 109 LYS N N 122.789 0.300 1 1211 110 110 SER H H 8.222 0.030 1 1212 110 110 SER HA H 4.454 0.030 1 1213 110 110 SER HB2 H 3.757 0.030 1 1214 110 110 SER HB3 H 3.757 0.030 1 1215 110 110 SER C C 174.477 0.300 1 1216 110 110 SER CA C 58.392 0.300 1 1217 110 110 SER CB C 64.250 0.300 1 1218 110 110 SER N N 116.352 0.300 1 1219 111 111 GLY H H 8.179 0.030 1 1220 111 111 GLY HA2 H 4.097 0.030 1 1221 111 111 GLY HA3 H 4.097 0.030 1 1222 111 111 GLY C C 171.783 0.300 1 1223 111 111 GLY CA C 44.686 0.300 1 1224 111 111 GLY N N 110.596 0.300 1 1225 112 112 PRO HA H 4.447 0.030 1 1226 112 112 PRO HB2 H 2.253 0.030 2 1227 112 112 PRO HB3 H 1.951 0.030 2 1228 112 112 PRO HD2 H 3.606 0.030 2 1229 112 112 PRO HD3 H 3.574 0.030 2 1230 112 112 PRO HG2 H 1.978 0.030 1 1231 112 112 PRO HG3 H 1.978 0.030 1 1232 112 112 PRO CA C 63.297 0.300 1 1233 112 112 PRO CB C 32.197 0.300 1 1234 112 112 PRO CD C 49.778 0.300 1 1235 112 112 PRO CG C 27.106 0.300 1 stop_ save_