data_11408 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assigned chemical shifts of RNA-binding domain 3 of CUGBP1 in complex with RNA (UG)3 ; _BMRB_accession_number 11408 _BMRB_flat_file_name bmr11408.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 Muto Y. . . 6 Inoue M. . . 7 Kigawa T. . . 8 Terada T. . . 9 Shirouzu M. . . 10 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" 653 "13C chemical shifts" 463 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11405 'Assigned chemical shifts of RNA binding domain 3' 11406 'Assigned chemical shifts of RNA binding domain 3 in RNA (CUGCUG)' 11407 'Assigned chemical shifts of RNA binding domain 3 in RNA (UAUAUA)' 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/RNA Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA RECOGNITION MOTIF, RESIDUES 383-484' $entity_1 5'-R(*UP*GP*UP*GP*UP*G)-3 $entity_2 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, RESIDUES 383-484' _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 11405 "RNA recognition motif" 100.00 115 100.00 100.00 1.06e-75 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 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_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 5'-R(*UP*GP*UP*GP*UP*G)-3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence UGUGUG loop_ _Residue_seq_code _Residue_label 1 U 2 G 3 U 4 G 5 U 6 G stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 ; 0.800 mM {[U-100%} {13C;} U-100% 15N\] CUG-BP- AND ETR-3-LIKE FACTOR 1-1, 0.800 mM RNA (5'-R(*UP*GP*UP*GP*UP*G)-3')-2, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.800 mM '[U-13C; U-15N]' $entity_2 0.800 mM 'natural abundance' salt 100 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 0.800 mM [U-100% 13C; U-100% 15N] CUG-BP- AND ETR-3-LIKE FACTOR 1-3, 0.800 mM RNA (5'-R(*UP*GP*UP*GP*UP*G)-3')-4, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.800 mM '[U-13C; U-15N]' $entity_2 0.800 mM 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9 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 20060702 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 0.9825 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_no.1_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY no.1' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_no.1_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY no.1' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_no.2_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY no.2' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_no.2_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY no.2' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 288 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 $CYANA stop_ loop_ _Experiment_label '3D 1H-13C NOESY no.1' '3D 1H-15N NOESY' '2D 1H-1H NOESY no.1' '3D 1H-13C NOESY no.2' '2D 1H-1H NOESY no.2' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'RNA RECOGNITION MOTIF, RESIDUES 383-484' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY H H 8.413 0.030 1 2 7 7 GLY HA2 H 3.972 0.030 1 3 7 7 GLY HA3 H 3.972 0.030 1 4 7 7 GLY C C 174.116 0.300 1 5 7 7 GLY CA C 45.420 0.300 1 6 7 7 GLY N N 110.586 0.300 1 7 8 8 LEU H H 8.113 0.030 1 8 8 8 LEU HA H 4.415 0.030 1 9 8 8 LEU HB2 H 1.651 0.030 2 10 8 8 LEU HB3 H 1.597 0.030 2 11 8 8 LEU HD1 H 0.918 0.030 1 12 8 8 LEU HD2 H 0.866 0.030 1 13 8 8 LEU HG H 1.608 0.030 1 14 8 8 LEU C C 177.723 0.300 1 15 8 8 LEU CA C 55.339 0.300 1 16 8 8 LEU CB C 42.453 0.300 1 17 8 8 LEU CD1 C 24.984 0.300 2 18 8 8 LEU CD2 C 23.425 0.300 2 19 8 8 LEU CG C 26.982 0.300 1 20 8 8 LEU N N 121.520 0.300 1 21 9 9 THR H H 8.157 0.030 1 22 9 9 THR HA H 4.341 0.030 1 23 9 9 THR HB H 4.237 0.030 1 24 9 9 THR HG2 H 1.200 0.030 1 25 9 9 THR C C 174.473 0.300 1 26 9 9 THR CA C 61.887 0.300 1 27 9 9 THR CB C 69.936 0.300 1 28 9 9 THR CG2 C 21.648 0.300 1 29 9 9 THR N N 114.785 0.300 1 30 10 10 GLN H H 8.424 0.030 1 31 10 10 GLN HA H 4.334 0.030 1 32 10 10 GLN HB2 H 2.106 0.030 2 33 10 10 GLN HB3 H 1.999 0.030 2 34 10 10 GLN HE21 H 7.537 0.030 2 35 10 10 GLN HE22 H 6.904 0.030 2 36 10 10 GLN HG2 H 2.362 0.030 1 37 10 10 GLN HG3 H 2.362 0.030 1 38 10 10 GLN C C 175.745 0.300 1 39 10 10 GLN CA C 56.021 0.300 1 40 10 10 GLN CB C 29.482 0.300 1 41 10 10 GLN CG C 33.848 0.300 1 42 10 10 GLN N N 122.535 0.300 1 43 10 10 GLN NE2 N 112.465 0.300 1 44 11 11 GLN H H 8.394 0.030 1 45 11 11 GLN HA H 4.363 0.030 1 46 11 11 GLN HB2 H 2.108 0.030 2 47 11 11 GLN HB3 H 2.000 0.030 2 48 11 11 GLN HE21 H 7.555 0.030 2 49 11 11 GLN HE22 H 7.094 0.030 2 50 11 11 GLN HG2 H 2.371 0.030 1 51 11 11 GLN HG3 H 2.371 0.030 1 52 11 11 GLN C C 176.038 0.300 1 53 11 11 GLN CA C 55.951 0.300 1 54 11 11 GLN CB C 29.676 0.300 1 55 11 11 GLN CG C 33.752 0.300 1 56 11 11 GLN N N 121.526 0.300 1 57 11 11 GLN NE2 N 113.082 0.300 1 58 12 12 SER H H 8.500 0.030 1 59 12 12 SER HA H 4.516 0.030 1 60 12 12 SER HB2 H 3.901 0.030 1 61 12 12 SER HB3 H 3.901 0.030 1 62 12 12 SER C C 174.861 0.300 1 63 12 12 SER CA C 58.483 0.300 1 64 12 12 SER CB C 63.829 0.300 1 65 12 12 SER N N 118.079 0.300 1 66 13 13 ILE H H 8.308 0.030 1 67 13 13 ILE HA H 4.183 0.030 1 68 13 13 ILE HB H 1.907 0.030 1 69 13 13 ILE HD1 H 0.866 0.030 1 70 13 13 ILE HG12 H 1.494 0.030 2 71 13 13 ILE HG13 H 1.222 0.030 2 72 13 13 ILE HG2 H 0.931 0.030 1 73 13 13 ILE C C 177.039 0.300 1 74 13 13 ILE CA C 61.733 0.300 1 75 13 13 ILE CB C 38.617 0.300 1 76 13 13 ILE CD1 C 13.116 0.300 1 77 13 13 ILE CG1 C 27.511 0.300 1 78 13 13 ILE CG2 C 17.520 0.300 1 79 13 13 ILE N N 123.253 0.300 1 80 14 14 GLY H H 8.501 0.030 1 81 14 14 GLY HA2 H 3.979 0.030 2 82 14 14 GLY HA3 H 3.929 0.030 2 83 14 14 GLY C C 173.855 0.300 1 84 14 14 GLY CA C 45.436 0.300 1 85 14 14 GLY N N 112.858 0.300 1 86 15 15 ALA H H 7.909 0.030 1 87 15 15 ALA HA H 4.225 0.030 1 88 15 15 ALA HB H 1.228 0.030 1 89 15 15 ALA C C 179.709 0.300 1 90 15 15 ALA CA C 53.859 0.300 1 91 15 15 ALA CB C 20.122 0.300 1 92 15 15 ALA N N 121.949 0.300 1 93 16 16 ALA H H 8.338 0.030 1 94 16 16 ALA HA H 4.315 0.030 1 95 16 16 ALA HB H 1.328 0.030 1 96 16 16 ALA C C 177.194 0.300 1 97 16 16 ALA CA C 53.311 0.300 1 98 16 16 ALA CB C 17.481 0.300 1 99 16 16 ALA N N 121.176 0.300 1 100 17 17 GLY H H 9.441 0.030 1 101 17 17 GLY HA2 H 4.331 0.030 2 102 17 17 GLY HA3 H 3.761 0.030 2 103 17 17 GLY C C 174.069 0.300 1 104 17 17 GLY CA C 45.779 0.300 1 105 17 17 GLY N N 114.405 0.300 1 106 18 18 SER H H 7.523 0.030 1 107 18 18 SER HA H 4.409 0.030 1 108 18 18 SER HB2 H 4.057 0.030 2 109 18 18 SER HB3 H 3.778 0.030 2 110 18 18 SER C C 173.358 0.300 1 111 18 18 SER CA C 57.211 0.300 1 112 18 18 SER CB C 63.155 0.300 1 113 18 18 SER N N 114.945 0.300 1 114 19 19 GLN H H 8.370 0.030 1 115 19 19 GLN HA H 4.571 0.030 1 116 19 19 GLN HB2 H 1.929 0.030 2 117 19 19 GLN HB3 H 1.751 0.030 2 118 19 19 GLN HE21 H 7.586 0.030 2 119 19 19 GLN HE22 H 7.005 0.030 2 120 19 19 GLN HG2 H 2.231 0.030 1 121 19 19 GLN HG3 H 2.231 0.030 1 122 19 19 GLN C C 174.626 0.300 1 123 19 19 GLN CA C 54.108 0.300 1 124 19 19 GLN CB C 29.982 0.300 1 125 19 19 GLN CG C 33.904 0.300 1 126 19 19 GLN N N 121.433 0.300 1 127 19 19 GLN NE2 N 113.145 0.300 1 128 20 20 LYS H H 7.865 0.030 1 129 20 20 LYS HA H 3.857 0.030 1 130 20 20 LYS HB2 H 1.565 0.030 1 131 20 20 LYS HB3 H 1.565 0.030 1 132 20 20 LYS HD2 H 1.621 0.030 2 133 20 20 LYS HD3 H 1.575 0.030 2 134 20 20 LYS HE2 H 2.946 0.030 1 135 20 20 LYS HE3 H 2.946 0.030 1 136 20 20 LYS HG2 H 1.349 0.030 2 137 20 20 LYS HG3 H 1.286 0.030 2 138 20 20 LYS C C 175.070 0.300 1 139 20 20 LYS CA C 56.747 0.300 1 140 20 20 LYS CB C 32.995 0.300 1 141 20 20 LYS CD C 29.117 0.300 1 142 20 20 LYS CE C 42.232 0.300 1 143 20 20 LYS CG C 24.607 0.300 1 144 20 20 LYS N N 121.705 0.300 1 145 21 21 GLU H H 8.255 0.030 1 146 21 21 GLU HA H 4.420 0.030 1 147 21 21 GLU HB2 H 2.071 0.030 2 148 21 21 GLU HB3 H 1.862 0.030 2 149 21 21 GLU HG2 H 2.147 0.030 2 150 21 21 GLU HG3 H 2.110 0.030 2 151 21 21 GLU C C 178.304 0.300 1 152 21 21 GLU CA C 56.108 0.300 1 153 21 21 GLU CB C 31.920 0.300 1 154 21 21 GLU CG C 36.357 0.300 1 155 21 21 GLU N N 124.952 0.300 1 156 22 22 GLY H H 9.123 0.030 1 157 22 22 GLY HA2 H 4.432 0.030 2 158 22 22 GLY HA3 H 4.269 0.030 2 159 22 22 GLY CA C 43.529 0.300 1 160 22 22 GLY N N 110.449 0.300 1 161 23 23 PRO HA H 4.479 0.030 1 162 23 23 PRO HB2 H 2.393 0.030 2 163 23 23 PRO HB3 H 1.916 0.030 2 164 23 23 PRO HD2 H 3.805 0.030 2 165 23 23 PRO HD3 H 3.576 0.030 2 166 23 23 PRO HG2 H 2.038 0.030 2 167 23 23 PRO HG3 H 1.664 0.030 2 168 23 23 PRO C C 174.130 0.300 1 169 23 23 PRO CA C 62.487 0.300 1 170 23 23 PRO CB C 32.748 0.300 1 171 23 23 PRO CD C 48.920 0.300 1 172 23 23 PRO CG C 27.247 0.300 1 173 24 24 GLU H H 8.368 0.030 1 174 24 24 GLU HA H 4.109 0.030 1 175 24 24 GLU HB2 H 2.062 0.030 2 176 24 24 GLU HB3 H 1.938 0.030 2 177 24 24 GLU HG2 H 2.322 0.030 1 178 24 24 GLU HG3 H 2.322 0.030 1 179 24 24 GLU C C 178.025 0.300 1 180 24 24 GLU CA C 58.323 0.300 1 181 24 24 GLU CB C 29.404 0.300 1 182 24 24 GLU CG C 35.982 0.300 1 183 24 24 GLU N N 119.479 0.300 1 184 25 25 GLY H H 8.380 0.030 1 185 25 25 GLY HA2 H 4.380 0.030 2 186 25 25 GLY HA3 H 3.835 0.030 2 187 25 25 GLY C C 173.606 0.300 1 188 25 25 GLY CA C 45.608 0.300 1 189 25 25 GLY N N 112.765 0.300 1 190 26 26 ALA H H 8.464 0.030 1 191 26 26 ALA HA H 4.707 0.030 1 192 26 26 ALA HB H 1.185 0.030 1 193 26 26 ALA C C 175.012 0.300 1 194 26 26 ALA CA C 50.811 0.300 1 195 26 26 ALA CB C 21.122 0.300 1 196 26 26 ALA N N 119.258 0.300 1 197 27 27 ASN H H 7.765 0.030 1 198 27 27 ASN HA H 5.673 0.030 1 199 27 27 ASN HB2 H 2.957 0.030 1 200 27 27 ASN HB3 H 2.957 0.030 1 201 27 27 ASN HD21 H 8.207 0.030 2 202 27 27 ASN HD22 H 6.768 0.030 2 203 27 27 ASN C C 174.041 0.300 1 204 27 27 ASN CA C 53.170 0.300 1 205 27 27 ASN CB C 40.935 0.300 1 206 27 27 ASN N N 115.128 0.300 1 207 27 27 ASN ND2 N 119.479 0.300 1 208 28 28 LEU H H 10.147 0.030 1 209 28 28 LEU HA H 4.962 0.030 1 210 28 28 LEU HB2 H 1.819 0.030 2 211 28 28 LEU HB3 H 1.131 0.030 2 212 28 28 LEU HD1 H 0.877 0.030 1 213 28 28 LEU HD2 H 0.758 0.030 1 214 28 28 LEU HG H 1.703 0.030 1 215 28 28 LEU C C 174.515 0.300 1 216 28 28 LEU CA C 54.126 0.300 1 217 28 28 LEU CB C 45.108 0.300 1 218 28 28 LEU CD1 C 27.107 0.300 2 219 28 28 LEU CD2 C 24.895 0.300 2 220 28 28 LEU CG C 26.904 0.300 1 221 28 28 LEU N N 126.114 0.300 1 222 29 29 PHE H H 9.210 0.030 1 223 29 29 PHE HA H 4.582 0.030 1 224 29 29 PHE HB2 H 2.864 0.030 2 225 29 29 PHE HB3 H 2.504 0.030 2 226 29 29 PHE HD1 H 6.673 0.030 1 227 29 29 PHE HD2 H 6.673 0.030 1 228 29 29 PHE HE1 H 6.583 0.030 1 229 29 29 PHE HE2 H 6.583 0.030 1 230 29 29 PHE HZ H 6.230 0.030 1 231 29 29 PHE C C 172.895 0.300 1 232 29 29 PHE CA C 56.249 0.300 1 233 29 29 PHE CB C 42.936 0.300 1 234 29 29 PHE CD1 C 131.235 0.300 1 235 29 29 PHE CD2 C 131.235 0.300 1 236 29 29 PHE CE1 C 131.235 0.300 1 237 29 29 PHE CE2 C 131.235 0.300 1 238 29 29 PHE CZ C 128.094 0.300 1 239 29 29 PHE N N 122.077 0.300 1 240 30 30 ILE H H 8.080 0.030 1 241 30 30 ILE HA H 4.909 0.030 1 242 30 30 ILE HB H 1.034 0.030 1 243 30 30 ILE HD1 H 0.181 0.030 1 244 30 30 ILE HG12 H 1.064 0.030 2 245 30 30 ILE HG13 H 0.881 0.030 2 246 30 30 ILE HG2 H 0.704 0.030 1 247 30 30 ILE CA C 58.967 0.300 1 248 30 30 ILE CB C 41.107 0.300 1 249 30 30 ILE CD1 C 16.903 0.300 1 250 30 30 ILE CG1 C 29.716 0.300 1 251 30 30 ILE CG2 C 20.995 0.300 1 252 30 30 ILE N N 126.652 0.300 1 253 31 31 TYR H H 8.933 0.030 1 254 31 31 TYR HA H 4.531 0.030 1 255 31 31 TYR HB2 H 2.460 0.030 2 256 31 31 TYR HB3 H 2.210 0.030 2 257 31 31 TYR HD1 H 5.995 0.030 1 258 31 31 TYR HD2 H 5.995 0.030 1 259 31 31 TYR HE1 H 6.272 0.030 1 260 31 31 TYR HE2 H 6.272 0.030 1 261 31 31 TYR CA C 56.725 0.300 1 262 31 31 TYR CB C 41.998 0.300 1 263 31 31 TYR CD1 C 132.640 0.300 1 264 31 31 TYR CD2 C 132.640 0.300 1 265 31 31 TYR CE1 C 117.705 0.300 1 266 31 31 TYR CE2 C 117.705 0.300 1 267 31 31 TYR N N 124.768 0.300 1 268 32 32 HIS H H 6.579 0.030 1 269 32 32 HIS HA H 4.047 0.030 1 270 32 32 HIS HB2 H 3.807 0.030 2 271 32 32 HIS HB3 H 3.134 0.030 2 272 32 32 HIS HD2 H 7.045 0.030 1 273 32 32 HIS HE1 H 8.091 0.030 1 274 32 32 HIS CA C 57.350 0.300 1 275 32 32 HIS CB C 26.620 0.300 1 276 32 32 HIS CD2 C 120.640 0.300 1 277 32 32 HIS CE1 C 138.602 0.300 1 278 33 33 LEU H H 7.015 0.030 1 279 33 33 LEU HA H 3.839 0.030 1 280 33 33 LEU HB2 H 1.019 0.030 2 281 33 33 LEU HB3 H 0.802 0.030 2 282 33 33 LEU HD1 H 0.518 0.030 1 283 33 33 LEU HD2 H 0.574 0.030 1 284 33 33 LEU HG H 1.153 0.030 1 285 33 33 LEU CA C 52.951 0.300 1 286 33 33 LEU CB C 42.373 0.300 1 287 33 33 LEU CD1 C 26.270 0.300 2 288 33 33 LEU CD2 C 23.935 0.300 2 289 33 33 LEU CG C 27.076 0.300 1 290 33 33 LEU N N 113.995 0.300 1 291 34 34 PRO HA H 4.263 0.030 1 292 34 34 PRO HB2 H 2.373 0.030 2 293 34 34 PRO HB3 H 1.467 0.030 2 294 34 34 PRO HD2 H 3.241 0.030 2 295 34 34 PRO HD3 H 2.256 0.030 2 296 34 34 PRO HG2 H 1.637 0.030 2 297 34 34 PRO HG3 H 1.349 0.030 2 298 34 34 PRO CA C 62.670 0.300 1 299 34 34 PRO CB C 32.290 0.300 1 300 34 34 PRO CD C 49.482 0.300 1 301 34 34 PRO CG C 28.279 0.300 1 302 35 35 GLN H H 9.097 0.030 1 303 35 35 GLN HA H 4.033 0.030 1 304 35 35 GLN HB2 H 2.065 0.030 2 305 35 35 GLN HB3 H 2.016 0.030 2 306 35 35 GLN HE21 H 7.624 0.030 2 307 35 35 GLN HE22 H 7.058 0.030 2 308 35 35 GLN HG2 H 2.461 0.030 2 309 35 35 GLN HG3 H 2.382 0.030 2 310 35 35 GLN C C 175.904 0.300 1 311 35 35 GLN CA C 59.186 0.300 1 312 35 35 GLN CB C 29.078 0.300 1 313 35 35 GLN CG C 34.472 0.300 1 314 35 35 GLN N N 126.472 0.300 1 315 35 35 GLN NE2 N 113.027 0.300 1 316 36 36 GLU H H 9.105 0.030 1 317 36 36 GLU HA H 4.296 0.030 1 318 36 36 GLU HB2 H 2.150 0.030 2 319 36 36 GLU HB3 H 2.095 0.030 2 320 36 36 GLU HG2 H 2.354 0.030 1 321 36 36 GLU HG3 H 2.354 0.030 1 322 36 36 GLU C C 176.974 0.300 1 323 36 36 GLU CA C 57.139 0.300 1 324 36 36 GLU CB C 28.621 0.300 1 325 36 36 GLU CG C 36.357 0.300 1 326 36 36 GLU N N 113.980 0.300 1 327 37 37 PHE H H 7.571 0.030 1 328 37 37 PHE HA H 4.608 0.030 1 329 37 37 PHE HB2 H 3.370 0.030 2 330 37 37 PHE HB3 H 2.803 0.030 2 331 37 37 PHE HD1 H 6.971 0.030 1 332 37 37 PHE HD2 H 6.971 0.030 1 333 37 37 PHE HE1 H 7.351 0.030 1 334 37 37 PHE HE2 H 7.351 0.030 1 335 37 37 PHE HZ H 7.346 0.030 1 336 37 37 PHE C C 176.954 0.300 1 337 37 37 PHE CA C 58.452 0.300 1 338 37 37 PHE CB C 39.559 0.300 1 339 37 37 PHE CD1 C 129.735 0.300 1 340 37 37 PHE CD2 C 129.735 0.300 1 341 37 37 PHE CE1 C 131.927 0.300 1 342 37 37 PHE CE2 C 131.927 0.300 1 343 37 37 PHE CZ C 130.278 0.300 1 344 37 37 PHE N N 122.129 0.300 1 345 38 38 GLY H H 9.612 0.030 1 346 38 38 GLY HA2 H 4.658 0.030 2 347 38 38 GLY HA3 H 3.896 0.030 2 348 38 38 GLY C C 174.721 0.300 1 349 38 38 GLY CA C 43.357 0.300 1 350 38 38 GLY N N 113.960 0.300 1 351 39 39 ASP H H 8.569 0.030 1 352 39 39 ASP HA H 4.074 0.030 1 353 39 39 ASP HB2 H 2.750 0.030 2 354 39 39 ASP HB3 H 2.536 0.030 2 355 39 39 ASP C C 178.130 0.300 1 356 39 39 ASP CA C 58.608 0.300 1 357 39 39 ASP CB C 41.357 0.300 1 358 39 39 ASP N N 119.948 0.300 1 359 40 40 GLN H H 8.738 0.030 1 360 40 40 GLN HA H 3.898 0.030 1 361 40 40 GLN HB2 H 2.045 0.030 2 362 40 40 GLN HB3 H 1.986 0.030 2 363 40 40 GLN HE21 H 7.534 0.030 2 364 40 40 GLN HE22 H 6.797 0.030 2 365 40 40 GLN HG2 H 2.364 0.030 1 366 40 40 GLN HG3 H 2.364 0.030 1 367 40 40 GLN C C 177.914 0.300 1 368 40 40 GLN CA C 58.737 0.300 1 369 40 40 GLN CB C 27.809 0.300 1 370 40 40 GLN CG C 33.578 0.300 1 371 40 40 GLN N N 115.835 0.300 1 372 40 40 GLN NE2 N 111.234 0.300 1 373 41 41 ASP H H 7.096 0.030 1 374 41 41 ASP HA H 3.989 0.030 1 375 41 41 ASP HB2 H 1.939 0.030 2 376 41 41 ASP HB3 H 1.100 0.030 2 377 41 41 ASP C C 178.209 0.300 1 378 41 41 ASP CA C 56.858 0.300 1 379 41 41 ASP CB C 39.872 0.300 1 380 41 41 ASP N N 118.340 0.300 1 381 42 42 LEU H H 7.725 0.030 1 382 42 42 LEU HA H 4.144 0.030 1 383 42 42 LEU HB2 H 1.901 0.030 2 384 42 42 LEU HB3 H 1.322 0.030 2 385 42 42 LEU HD1 H 0.690 0.030 1 386 42 42 LEU HD2 H 0.899 0.030 1 387 42 42 LEU HG H 1.397 0.030 1 388 42 42 LEU C C 177.495 0.300 1 389 42 42 LEU CA C 57.873 0.300 1 390 42 42 LEU CB C 42.670 0.300 1 391 42 42 LEU CD1 C 26.501 0.300 2 392 42 42 LEU CD2 C 24.869 0.300 2 393 42 42 LEU CG C 26.529 0.300 1 394 42 42 LEU N N 120.215 0.300 1 395 43 43 LEU H H 8.132 0.030 1 396 43 43 LEU HA H 3.784 0.030 1 397 43 43 LEU HB2 H 2.036 0.030 2 398 43 43 LEU HB3 H 1.438 0.030 2 399 43 43 LEU HD1 H 0.988 0.030 1 400 43 43 LEU HD2 H 0.870 0.030 1 401 43 43 LEU HG H 1.555 0.030 1 402 43 43 LEU C C 178.356 0.300 1 403 43 43 LEU CA C 59.014 0.300 1 404 43 43 LEU CB C 42.411 0.300 1 405 43 43 LEU CD1 C 26.685 0.300 2 406 43 43 LEU CD2 C 24.791 0.300 2 407 43 43 LEU CG C 27.279 0.300 1 408 43 43 LEU N N 118.190 0.300 1 409 44 44 GLN H H 8.094 0.030 1 410 44 44 GLN HA H 3.979 0.030 1 411 44 44 GLN HB2 H 2.129 0.030 1 412 44 44 GLN HB3 H 2.129 0.030 1 413 44 44 GLN HE21 H 7.376 0.030 2 414 44 44 GLN HE22 H 6.843 0.030 2 415 44 44 GLN HG2 H 2.514 0.030 2 416 44 44 GLN HG3 H 2.440 0.030 2 417 44 44 GLN C C 178.349 0.300 1 418 44 44 GLN CA C 59.108 0.300 1 419 44 44 GLN CB C 28.467 0.300 1 420 44 44 GLN CG C 34.189 0.300 1 421 44 44 GLN N N 115.496 0.300 1 422 44 44 GLN NE2 N 111.496 0.300 1 423 45 45 MET H H 7.592 0.030 1 424 45 45 MET HA H 4.003 0.030 1 425 45 45 MET HB2 H 2.311 0.030 2 426 45 45 MET HB3 H 2.122 0.030 2 427 45 45 MET HE H 2.027 0.030 1 428 45 45 MET HG2 H 1.945 0.030 2 429 45 45 MET HG3 H 2.237 0.030 2 430 45 45 MET C C 175.712 0.300 1 431 45 45 MET CA C 58.170 0.300 1 432 45 45 MET CB C 34.247 0.300 1 433 45 45 MET CE C 18.169 0.300 1 434 45 45 MET CG C 32.246 0.300 1 435 45 45 MET N N 116.082 0.300 1 436 46 46 PHE H H 7.579 0.030 1 437 46 46 PHE HA H 4.772 0.030 1 438 46 46 PHE HB2 H 3.720 0.030 2 439 46 46 PHE HB3 H 2.688 0.030 2 440 46 46 PHE HD1 H 7.904 0.030 1 441 46 46 PHE HD2 H 7.904 0.030 1 442 46 46 PHE HE1 H 6.937 0.030 1 443 46 46 PHE HE2 H 6.937 0.030 1 444 46 46 PHE HZ H 6.878 0.030 1 445 46 46 PHE C C 177.537 0.300 1 446 46 46 PHE CA C 60.011 0.300 1 447 46 46 PHE CB C 39.372 0.300 1 448 46 46 PHE CD1 C 132.274 0.300 1 449 46 46 PHE CD2 C 132.274 0.300 1 450 46 46 PHE CE1 C 130.418 0.300 1 451 46 46 PHE CE2 C 130.418 0.300 1 452 46 46 PHE CZ C 128.242 0.300 1 453 46 46 PHE N N 112.801 0.300 1 454 47 47 MET H H 8.326 0.030 1 455 47 47 MET HA H 4.677 0.030 1 456 47 47 MET HB2 H 2.279 0.030 2 457 47 47 MET HB3 H 2.232 0.030 2 458 47 47 MET HE H 2.120 0.030 1 459 47 47 MET HG2 H 2.796 0.030 1 460 47 47 MET HG3 H 2.796 0.030 1 461 47 47 MET CA C 59.667 0.300 1 462 47 47 MET CB C 32.222 0.300 1 463 47 47 MET CE C 16.478 0.300 1 464 47 47 MET CG C 32.100 0.300 1 465 47 47 MET N N 127.608 0.300 1 466 48 48 PRO HA H 4.104 0.030 1 467 48 48 PRO HB2 H 1.913 0.030 2 468 48 48 PRO HB3 H 0.161 0.030 2 469 48 48 PRO HD2 H 3.613 0.030 2 470 48 48 PRO HD3 H 2.915 0.030 2 471 48 48 PRO HG2 H 1.657 0.030 2 472 48 48 PRO HG3 H 1.621 0.030 2 473 48 48 PRO C C 177.221 0.300 1 474 48 48 PRO CA C 65.667 0.300 1 475 48 48 PRO CB C 31.100 0.300 1 476 48 48 PRO CD C 51.647 0.300 1 477 48 48 PRO CG C 27.916 0.300 1 478 49 49 PHE H H 6.631 0.030 1 479 49 49 PHE HA H 4.357 0.030 1 480 49 49 PHE HB2 H 3.414 0.030 2 481 49 49 PHE HB3 H 2.870 0.030 2 482 49 49 PHE HD1 H 7.310 0.030 1 483 49 49 PHE HD2 H 7.310 0.030 1 484 49 49 PHE HE1 H 7.229 0.030 1 485 49 49 PHE HE2 H 7.229 0.030 1 486 49 49 PHE HZ H 7.180 0.030 1 487 49 49 PHE C C 174.791 0.300 1 488 49 49 PHE CA C 58.376 0.300 1 489 49 49 PHE CB C 38.560 0.300 1 490 49 49 PHE CD1 C 131.101 0.300 1 491 49 49 PHE CD2 C 131.101 0.300 1 492 49 49 PHE CE1 C 131.836 0.300 1 493 49 49 PHE CE2 C 131.836 0.300 1 494 49 49 PHE CZ C 129.764 0.300 1 495 49 49 PHE N N 110.121 0.300 1 496 50 50 GLY H H 7.700 0.030 1 497 50 50 GLY HA2 H 4.254 0.030 2 498 50 50 GLY HA3 H 3.947 0.030 2 499 50 50 GLY C C 170.374 0.300 1 500 50 50 GLY CA C 44.897 0.300 1 501 50 50 GLY N N 105.726 0.300 1 502 51 51 ASN H H 9.058 0.030 1 503 51 51 ASN HA H 4.707 0.030 1 504 51 51 ASN HB2 H 2.851 0.030 2 505 51 51 ASN HB3 H 2.809 0.030 2 506 51 51 ASN HD21 H 7.834 0.030 2 507 51 51 ASN HD22 H 6.834 0.030 2 508 51 51 ASN C C 173.743 0.300 1 509 51 51 ASN CA C 53.248 0.300 1 510 51 51 ASN CB C 37.747 0.300 1 511 51 51 ASN N N 117.420 0.300 1 512 51 51 ASN ND2 N 113.004 0.300 1 513 52 52 VAL H H 8.435 0.030 1 514 52 52 VAL HA H 3.815 0.030 1 515 52 52 VAL HB H 1.863 0.030 1 516 52 52 VAL HG1 H 0.642 0.030 1 517 52 52 VAL HG2 H 0.750 0.030 1 518 52 52 VAL C C 176.316 0.300 1 519 52 52 VAL CA C 62.713 0.300 1 520 52 52 VAL CB C 32.232 0.300 1 521 52 52 VAL CG1 C 23.842 0.300 2 522 52 52 VAL CG2 C 22.467 0.300 2 523 52 52 VAL N N 128.067 0.300 1 524 53 53 VAL H H 9.093 0.030 1 525 53 53 VAL HA H 3.889 0.030 1 526 53 53 VAL HB H 1.736 0.030 1 527 53 53 VAL HG1 H 0.747 0.030 1 528 53 53 VAL HG2 H 0.728 0.030 1 529 53 53 VAL C C 176.138 0.300 1 530 53 53 VAL CA C 63.344 0.300 1 531 53 53 VAL CB C 32.716 0.300 1 532 53 53 VAL CG1 C 20.989 0.300 2 533 53 53 VAL CG2 C 20.669 0.300 2 534 53 53 VAL N N 127.956 0.300 1 535 54 54 SER H H 7.627 0.030 1 536 54 54 SER HA H 4.824 0.030 1 537 54 54 SER HB2 H 3.978 0.030 2 538 54 54 SER HB3 H 3.727 0.030 2 539 54 54 SER C C 171.050 0.300 1 540 54 54 SER CA C 57.170 0.300 1 541 54 54 SER CB C 63.483 0.300 1 542 54 54 SER N N 111.234 0.300 1 543 55 55 ALA H H 7.865 0.030 1 544 55 55 ALA HA H 5.239 0.030 1 545 55 55 ALA HB H 1.207 0.030 1 546 55 55 ALA C C 174.389 0.300 1 547 55 55 ALA CA C 51.643 0.300 1 548 55 55 ALA CB C 21.732 0.300 1 549 55 55 ALA N N 121.605 0.300 1 550 56 56 LYS H H 9.189 0.030 1 551 56 56 LYS HA H 4.849 0.030 1 552 56 56 LYS HB2 H 2.113 0.030 2 553 56 56 LYS HB3 H 2.040 0.030 2 554 56 56 LYS HD2 H 1.877 0.030 2 555 56 56 LYS HD3 H 1.690 0.030 2 556 56 56 LYS HE2 H 3.155 0.030 2 557 56 56 LYS HE3 H 3.114 0.030 2 558 56 56 LYS HG2 H 1.621 0.030 2 559 56 56 LYS HG3 H 1.327 0.030 2 560 56 56 LYS C C 174.454 0.300 1 561 56 56 LYS CA C 54.592 0.300 1 562 56 56 LYS CB C 37.560 0.300 1 563 56 56 LYS CD C 29.091 0.300 1 564 56 56 LYS CE C 43.357 0.300 1 565 56 56 LYS CG C 25.263 0.300 1 566 56 56 LYS N N 124.739 0.300 1 567 57 57 VAL H H 9.181 0.030 1 568 57 57 VAL HA H 3.972 0.030 1 569 57 57 VAL HB H 1.926 0.030 1 570 57 57 VAL HG1 H 0.777 0.030 1 571 57 57 VAL HG2 H 0.884 0.030 1 572 57 57 VAL C C 175.022 0.300 1 573 57 57 VAL CA C 63.170 0.300 1 574 57 57 VAL CB C 33.045 0.300 1 575 57 57 VAL CG1 C 23.357 0.300 2 576 57 57 VAL CG2 C 21.653 0.300 2 577 57 57 VAL N N 129.049 0.300 1 578 58 58 PHE H H 8.899 0.030 1 579 58 58 PHE HA H 4.206 0.030 1 580 58 58 PHE HB2 H 1.953 0.030 2 581 58 58 PHE HB3 H 1.792 0.030 2 582 58 58 PHE HD1 H 6.690 0.030 1 583 58 58 PHE HD2 H 6.690 0.030 1 584 58 58 PHE HE1 H 7.096 0.030 1 585 58 58 PHE HE2 H 7.096 0.030 1 586 58 58 PHE HZ H 7.180 0.030 1 587 58 58 PHE C C 173.487 0.300 1 588 58 58 PHE CA C 58.389 0.300 1 589 58 58 PHE CB C 40.772 0.300 1 590 58 58 PHE CD1 C 131.489 0.300 1 591 58 58 PHE CD2 C 131.489 0.300 1 592 58 58 PHE CE1 C 130.852 0.300 1 593 58 58 PHE CE2 C 130.852 0.300 1 594 58 58 PHE CZ C 129.790 0.300 1 595 58 58 PHE N N 130.809 0.300 1 596 59 59 ILE H H 8.505 0.030 1 597 59 59 ILE HA H 4.377 0.030 1 598 59 59 ILE HB H 1.680 0.030 1 599 59 59 ILE HD1 H 0.663 0.030 1 600 59 59 ILE HG12 H 1.417 0.030 2 601 59 59 ILE HG13 H 1.316 0.030 2 602 59 59 ILE HG2 H 0.632 0.030 1 603 59 59 ILE C C 176.318 0.300 1 604 59 59 ILE CA C 57.871 0.300 1 605 59 59 ILE CB C 39.232 0.300 1 606 59 59 ILE CD1 C 10.341 0.300 1 607 59 59 ILE CG1 C 26.349 0.300 1 608 59 59 ILE CG2 C 16.914 0.300 1 609 59 59 ILE N N 129.045 0.300 1 610 60 60 ASP H H 8.672 0.030 1 611 60 60 ASP HA H 4.842 0.030 1 612 60 60 ASP HB2 H 3.397 0.030 2 613 60 60 ASP HB3 H 2.568 0.030 2 614 60 60 ASP C C 177.346 0.300 1 615 60 60 ASP CA C 54.165 0.300 1 616 60 60 ASP CB C 42.850 0.300 1 617 60 60 ASP N N 127.101 0.300 1 618 61 61 LYS H H 9.180 0.030 1 619 61 61 LYS HA H 4.066 0.030 1 620 61 61 LYS HB2 H 1.880 0.030 2 621 61 61 LYS HB3 H 1.829 0.030 2 622 61 61 LYS HD2 H 1.644 0.030 1 623 61 61 LYS HD3 H 1.644 0.030 1 624 61 61 LYS HE2 H 2.974 0.030 1 625 61 61 LYS HE3 H 2.974 0.030 1 626 61 61 LYS HG2 H 1.491 0.030 1 627 61 61 LYS HG3 H 1.491 0.030 1 628 61 61 LYS C C 177.788 0.300 1 629 61 61 LYS CA C 58.608 0.300 1 630 61 61 LYS CB C 32.291 0.300 1 631 61 61 LYS CD C 29.146 0.300 1 632 61 61 LYS CE C 41.901 0.300 1 633 61 61 LYS CG C 24.842 0.300 1 634 61 61 LYS N N 128.138 0.300 1 635 62 62 GLN H H 8.826 0.030 1 636 62 62 GLN HA H 4.331 0.030 1 637 62 62 GLN HB2 H 2.310 0.030 2 638 62 62 GLN HB3 H 2.232 0.030 2 639 62 62 GLN HE21 H 7.693 0.030 2 640 62 62 GLN HE22 H 6.914 0.030 2 641 62 62 GLN HG2 H 2.493 0.030 2 642 62 62 GLN HG3 H 2.407 0.030 2 643 62 62 GLN C C 177.840 0.300 1 644 62 62 GLN CA C 58.030 0.300 1 645 62 62 GLN CB C 29.371 0.300 1 646 62 62 GLN CG C 34.529 0.300 1 647 62 62 GLN N N 117.167 0.300 1 648 62 62 GLN NE2 N 112.348 0.300 1 649 63 63 THR H H 7.871 0.030 1 650 63 63 THR HA H 4.347 0.030 1 651 63 63 THR HB H 4.343 0.030 1 652 63 63 THR HG2 H 1.228 0.030 1 653 63 63 THR C C 175.609 0.300 1 654 63 63 THR CA C 61.678 0.300 1 655 63 63 THR CB C 70.905 0.300 1 656 63 63 THR CG2 C 21.452 0.300 1 657 63 63 THR N N 107.066 0.300 1 658 64 64 ASN H H 8.604 0.030 1 659 64 64 ASN HA H 4.279 0.030 1 660 64 64 ASN HB2 H 3.121 0.030 2 661 64 64 ASN HB3 H 2.830 0.030 2 662 64 64 ASN HD21 H 7.433 0.030 2 663 64 64 ASN HD22 H 6.739 0.030 2 664 64 64 ASN C C 173.676 0.300 1 665 64 64 ASN CA C 55.018 0.300 1 666 64 64 ASN CB C 38.077 0.300 1 667 64 64 ASN N N 117.020 0.300 1 668 64 64 ASN ND2 N 112.004 0.300 1 669 65 65 LEU H H 7.597 0.030 1 670 65 65 LEU HA H 4.695 0.030 1 671 65 65 LEU HB2 H 1.745 0.030 2 672 65 65 LEU HB3 H 1.450 0.030 2 673 65 65 LEU HD1 H 0.926 0.030 1 674 65 65 LEU HD2 H 0.903 0.030 1 675 65 65 LEU HG H 1.612 0.030 1 676 65 65 LEU C C 176.915 0.300 1 677 65 65 LEU CA C 53.420 0.300 1 678 65 65 LEU CB C 44.843 0.300 1 679 65 65 LEU CD1 C 25.232 0.300 2 680 65 65 LEU CD2 C 22.903 0.300 2 681 65 65 LEU CG C 26.246 0.300 1 682 65 65 LEU N N 117.379 0.300 1 683 66 66 SER H H 8.667 0.030 1 684 66 66 SER HA H 4.560 0.030 1 685 66 66 SER HB2 H 4.053 0.030 2 686 66 66 SER HB3 H 3.956 0.030 2 687 66 66 SER C C 177.106 0.300 1 688 66 66 SER CA C 57.997 0.300 1 689 66 66 SER CB C 63.887 0.300 1 690 66 66 SER N N 114.666 0.300 1 691 67 67 LYS H H 8.862 0.030 1 692 67 67 LYS HA H 4.640 0.030 1 693 67 67 LYS HB2 H 2.358 0.030 2 694 67 67 LYS HB3 H 1.426 0.030 2 695 67 67 LYS HD2 H 2.168 0.030 2 696 67 67 LYS HD3 H 2.020 0.030 2 697 67 67 LYS HE2 H 3.482 0.030 2 698 67 67 LYS HE3 H 3.422 0.030 2 699 67 67 LYS HG2 H 1.914 0.030 2 700 67 67 LYS HG3 H 1.660 0.030 2 701 67 67 LYS C C 176.100 0.300 1 702 67 67 LYS CA C 56.224 0.300 1 703 67 67 LYS CB C 31.747 0.300 1 704 67 67 LYS CD C 28.742 0.300 1 705 67 67 LYS CE C 42.106 0.300 1 706 67 67 LYS CG C 26.419 0.300 1 707 67 67 LYS N N 124.754 0.300 1 708 68 68 CYS H H 10.071 0.030 1 709 68 68 CYS HA H 3.277 0.030 1 710 68 68 CYS HB2 H 3.310 0.030 2 711 68 68 CYS HB3 H 3.214 0.030 2 712 68 68 CYS C C 173.005 0.300 1 713 68 68 CYS CA C 61.248 0.300 1 714 68 68 CYS CB C 24.230 0.300 1 715 68 68 CYS N N 112.274 0.300 1 716 69 69 PHE H H 7.325 0.030 1 717 69 69 PHE HA H 5.124 0.030 1 718 69 69 PHE HB2 H 2.960 0.030 2 719 69 69 PHE HB3 H 2.751 0.030 2 720 69 69 PHE HD1 H 6.851 0.030 1 721 69 69 PHE HD2 H 6.851 0.030 1 722 69 69 PHE HE1 H 6.890 0.030 1 723 69 69 PHE HE2 H 6.890 0.030 1 724 69 69 PHE HZ H 5.919 0.030 1 725 69 69 PHE C C 172.290 0.300 1 726 69 69 PHE CA C 55.045 0.300 1 727 69 69 PHE CB C 42.357 0.300 1 728 69 69 PHE CD1 C 133.204 0.300 1 729 69 69 PHE CD2 C 133.204 0.300 1 730 69 69 PHE CE1 C 130.751 0.300 1 731 69 69 PHE CE2 C 130.751 0.300 1 732 69 69 PHE CZ C 129.704 0.300 1 733 69 69 PHE N N 112.903 0.300 1 734 70 70 GLY H H 8.863 0.030 1 735 70 70 GLY HA2 H 4.315 0.030 2 736 70 70 GLY HA3 H 3.836 0.030 2 737 70 70 GLY C C 181.567 0.300 1 738 70 70 GLY CA C 46.125 0.300 1 739 70 70 GLY N N 107.074 0.300 1 740 71 71 PHE H H 8.790 0.030 1 741 71 71 PHE HA H 5.442 0.030 1 742 71 71 PHE HB2 H 2.269 0.030 1 743 71 71 PHE HB3 H 2.269 0.030 1 744 71 71 PHE HD1 H 6.842 0.030 1 745 71 71 PHE HD2 H 6.842 0.030 1 746 71 71 PHE HE1 H 7.398 0.030 1 747 71 71 PHE HE2 H 7.398 0.030 1 748 71 71 PHE HZ H 7.493 0.030 1 749 71 71 PHE C C 174.773 0.300 1 750 71 71 PHE CA C 56.077 0.300 1 751 71 71 PHE CB C 43.053 0.300 1 752 71 71 PHE CD1 C 131.110 0.300 1 753 71 71 PHE CD2 C 131.110 0.300 1 754 71 71 PHE CE1 C 131.095 0.300 1 755 71 71 PHE CE2 C 131.095 0.300 1 756 71 71 PHE CZ C 128.369 0.300 1 757 71 71 PHE N N 115.863 0.300 1 758 72 72 VAL H H 7.725 0.030 1 759 72 72 VAL HA H 4.449 0.030 1 760 72 72 VAL HB H 1.152 0.030 1 761 72 72 VAL HG1 H 0.380 0.030 1 762 72 72 VAL HG2 H 0.297 0.030 1 763 72 72 VAL C C 173.781 0.300 1 764 72 72 VAL CA C 61.115 0.300 1 765 72 72 VAL CB C 36.600 0.300 1 766 72 72 VAL CG1 C 21.411 0.300 2 767 72 72 VAL CG2 C 22.209 0.300 2 768 72 72 VAL N N 118.631 0.300 1 769 73 73 SER H H 8.945 0.030 1 770 73 73 SER HA H 5.444 0.030 1 771 73 73 SER HB2 H 4.195 0.030 2 772 73 73 SER HB3 H 3.874 0.030 2 773 73 73 SER C C 173.745 0.300 1 774 73 73 SER CA C 58.063 0.300 1 775 73 73 SER CB C 64.868 0.300 1 776 73 73 SER N N 123.893 0.300 1 777 74 74 TYR H H 8.774 0.030 1 778 74 74 TYR HA H 5.445 0.030 1 779 74 74 TYR HB2 H 3.494 0.030 2 780 74 74 TYR HB3 H 3.005 0.030 2 781 74 74 TYR HD1 H 6.913 0.030 1 782 74 74 TYR HD2 H 6.913 0.030 1 783 74 74 TYR HE1 H 6.612 0.030 1 784 74 74 TYR HE2 H 6.612 0.030 1 785 74 74 TYR C C 173.849 0.300 1 786 74 74 TYR CA C 57.615 0.300 1 787 74 74 TYR CB C 42.504 0.300 1 788 74 74 TYR CD1 C 132.235 0.300 1 789 74 74 TYR CD2 C 132.235 0.300 1 790 74 74 TYR CE1 C 118.360 0.300 1 791 74 74 TYR CE2 C 118.360 0.300 1 792 74 74 TYR N N 123.141 0.300 1 793 75 75 ASP H H 7.973 0.030 1 794 75 75 ASP HA H 4.582 0.030 1 795 75 75 ASP HB2 H 3.209 0.030 2 796 75 75 ASP HB3 H 2.484 0.030 2 797 75 75 ASP C C 176.802 0.300 1 798 75 75 ASP CA C 53.211 0.300 1 799 75 75 ASP CB C 40.725 0.300 1 800 75 75 ASP N N 113.126 0.300 1 801 76 76 ASN H H 7.290 0.030 1 802 76 76 ASN HA H 5.139 0.030 1 803 76 76 ASN HB2 H 2.977 0.030 2 804 76 76 ASN HB3 H 2.923 0.030 2 805 76 76 ASN HD21 H 8.064 0.030 2 806 76 76 ASN HD22 H 7.298 0.030 2 807 76 76 ASN C C 173.388 0.300 1 808 76 76 ASN CA C 51.287 0.300 1 809 76 76 ASN CB C 41.553 0.300 1 810 76 76 ASN N N 114.090 0.300 1 811 76 76 ASN ND2 N 114.801 0.300 1 812 77 77 PRO HA H 4.289 0.030 1 813 77 77 PRO HB2 H 2.299 0.030 2 814 77 77 PRO HB3 H 2.148 0.030 2 815 77 77 PRO HD2 H 4.093 0.030 2 816 77 77 PRO HD3 H 3.632 0.030 2 817 77 77 PRO HG2 H 2.205 0.030 2 818 77 77 PRO HG3 H 2.055 0.030 2 819 77 77 PRO C C 177.622 0.300 1 820 77 77 PRO CA C 64.742 0.300 1 821 77 77 PRO CB C 32.864 0.300 1 822 77 77 PRO CD C 51.701 0.300 1 823 77 77 PRO CG C 27.489 0.300 1 824 78 78 VAL H H 8.157 0.030 1 825 78 78 VAL HA H 3.727 0.030 1 826 78 78 VAL HB H 2.128 0.030 1 827 78 78 VAL HG1 H 1.058 0.030 1 828 78 78 VAL HG2 H 0.976 0.030 1 829 78 78 VAL C C 179.651 0.300 1 830 78 78 VAL CA C 66.490 0.300 1 831 78 78 VAL CB C 31.408 0.300 1 832 78 78 VAL CG1 C 22.395 0.300 2 833 78 78 VAL CG2 C 21.114 0.300 2 834 78 78 VAL N N 121.032 0.300 1 835 79 79 SER H H 7.918 0.030 1 836 79 79 SER HA H 4.056 0.030 1 837 79 79 SER HB2 H 3.310 0.030 2 838 79 79 SER HB3 H 3.021 0.030 2 839 79 79 SER C C 174.034 0.300 1 840 79 79 SER CA C 61.492 0.300 1 841 79 79 SER CB C 62.944 0.300 1 842 79 79 SER N N 118.067 0.300 1 843 80 80 ALA H H 6.446 0.030 1 844 80 80 ALA HA H 3.844 0.030 1 845 80 80 ALA HB H 1.611 0.030 1 846 80 80 ALA C C 178.605 0.300 1 847 80 80 ALA CA C 55.053 0.300 1 848 80 80 ALA CB C 18.239 0.300 1 849 80 80 ALA N N 120.191 0.300 1 850 81 81 GLN H H 7.738 0.030 1 851 81 81 GLN HA H 3.910 0.030 1 852 81 81 GLN HB2 H 2.193 0.030 2 853 81 81 GLN HB3 H 2.157 0.030 2 854 81 81 GLN HE21 H 7.929 0.030 2 855 81 81 GLN HE22 H 6.917 0.030 2 856 81 81 GLN HG2 H 2.533 0.030 1 857 81 81 GLN HG3 H 2.533 0.030 1 858 81 81 GLN C C 178.464 0.300 1 859 81 81 GLN CA C 58.615 0.300 1 860 81 81 GLN CB C 27.786 0.300 1 861 81 81 GLN CG C 33.475 0.300 1 862 81 81 GLN N N 115.645 0.300 1 863 81 81 GLN NE2 N 112.472 0.300 1 864 82 82 ALA H H 7.852 0.030 1 865 82 82 ALA HA H 4.088 0.030 1 866 82 82 ALA HB H 1.632 0.030 1 867 82 82 ALA C C 180.002 0.300 1 868 82 82 ALA CA C 55.037 0.300 1 869 82 82 ALA CB C 17.974 0.300 1 870 82 82 ALA N N 123.245 0.300 1 871 83 83 ALA H H 7.917 0.030 1 872 83 83 ALA HA H 2.437 0.030 1 873 83 83 ALA HB H 1.492 0.030 1 874 83 83 ALA C C 179.844 0.300 1 875 83 83 ALA CA C 54.678 0.300 1 876 83 83 ALA CB C 19.302 0.300 1 877 83 83 ALA N N 121.656 0.300 1 878 84 84 ILE H H 8.069 0.030 1 879 84 84 ILE HA H 3.245 0.030 1 880 84 84 ILE HB H 1.823 0.030 1 881 84 84 ILE HD1 H 0.796 0.030 1 882 84 84 ILE HG12 H 1.836 0.030 2 883 84 84 ILE HG13 H 0.598 0.030 2 884 84 84 ILE HG2 H 0.944 0.030 1 885 84 84 ILE C C 177.947 0.300 1 886 84 84 ILE CA C 66.553 0.300 1 887 84 84 ILE CB C 38.787 0.300 1 888 84 84 ILE CD1 C 13.974 0.300 1 889 84 84 ILE CG1 C 30.443 0.300 1 890 84 84 ILE CG2 C 17.458 0.300 1 891 84 84 ILE N N 118.964 0.300 1 892 85 85 GLN H H 7.836 0.030 1 893 85 85 GLN HA H 3.980 0.030 1 894 85 85 GLN HB2 H 2.149 0.030 1 895 85 85 GLN HB3 H 2.149 0.030 1 896 85 85 GLN HE21 H 7.508 0.030 2 897 85 85 GLN HE22 H 6.887 0.030 2 898 85 85 GLN HG2 H 2.487 0.030 1 899 85 85 GLN HG3 H 2.487 0.030 1 900 85 85 GLN C C 178.615 0.300 1 901 85 85 GLN CA C 58.710 0.300 1 902 85 85 GLN CB C 28.375 0.300 1 903 85 85 GLN CG C 33.850 0.300 1 904 85 85 GLN N N 116.270 0.300 1 905 85 85 GLN NE2 N 112.004 0.300 1 906 86 86 SER H H 7.527 0.030 1 907 86 86 SER HA H 4.457 0.030 1 908 86 86 SER HB2 H 3.679 0.030 2 909 86 86 SER HB3 H 3.463 0.030 2 910 86 86 SER C C 175.535 0.300 1 911 86 86 SER CA C 61.569 0.300 1 912 86 86 SER CB C 64.947 0.300 1 913 86 86 SER N N 110.699 0.300 1 914 87 87 MET H H 8.368 0.030 1 915 87 87 MET HA H 4.926 0.030 1 916 87 87 MET HB2 H 2.045 0.030 2 917 87 87 MET HB3 H 1.825 0.030 2 918 87 87 MET HE H 1.063 0.030 1 919 87 87 MET HG2 H 1.915 0.030 2 920 87 87 MET HG3 H 1.830 0.030 2 921 87 87 MET C C 177.799 0.300 1 922 87 87 MET CA C 53.803 0.300 1 923 87 87 MET CB C 31.703 0.300 1 924 87 87 MET CE C 15.798 0.300 1 925 87 87 MET CG C 32.673 0.300 1 926 87 87 MET N N 114.508 0.300 1 927 88 88 ASN H H 8.338 0.030 1 928 88 88 ASN HA H 4.486 0.030 1 929 88 88 ASN HB2 H 3.081 0.030 1 930 88 88 ASN HB3 H 3.081 0.030 1 931 88 88 ASN HD21 H 7.864 0.030 2 932 88 88 ASN HD22 H 7.029 0.030 2 933 88 88 ASN C C 176.629 0.300 1 934 88 88 ASN CA C 56.725 0.300 1 935 88 88 ASN CB C 38.709 0.300 1 936 88 88 ASN N N 118.742 0.300 1 937 88 88 ASN ND2 N 114.800 0.300 1 938 89 89 GLY H H 9.149 0.030 1 939 89 89 GLY HA2 H 4.386 0.030 2 940 89 89 GLY HA3 H 3.636 0.030 2 941 89 89 GLY C C 173.118 0.300 1 942 89 89 GLY CA C 45.644 0.300 1 943 89 89 GLY N N 118.404 0.300 1 944 90 90 PHE H H 7.978 0.030 1 945 90 90 PHE HA H 4.228 0.030 1 946 90 90 PHE HB2 H 3.355 0.030 2 947 90 90 PHE HB3 H 2.951 0.030 2 948 90 90 PHE HD1 H 7.097 0.030 1 949 90 90 PHE HD2 H 7.097 0.030 1 950 90 90 PHE HE1 H 7.300 0.030 1 951 90 90 PHE HE2 H 7.300 0.030 1 952 90 90 PHE HZ H 7.309 0.030 1 953 90 90 PHE C C 174.745 0.300 1 954 90 90 PHE CA C 59.365 0.300 1 955 90 90 PHE CB C 41.053 0.300 1 956 90 90 PHE CD1 C 132.016 0.300 1 957 90 90 PHE CD2 C 132.016 0.300 1 958 90 90 PHE CE1 C 131.226 0.300 1 959 90 90 PHE CE2 C 131.226 0.300 1 960 90 90 PHE CZ C 129.706 0.300 1 961 90 90 PHE N N 123.376 0.300 1 962 91 91 GLN H H 7.989 0.030 1 963 91 91 GLN HA H 4.619 0.030 1 964 91 91 GLN HB2 H 1.806 0.030 2 965 91 91 GLN HB3 H 1.700 0.030 2 966 91 91 GLN HE21 H 7.398 0.030 2 967 91 91 GLN HE22 H 6.664 0.030 2 968 91 91 GLN HG2 H 2.081 0.030 1 969 91 91 GLN HG3 H 2.081 0.030 1 970 91 91 GLN C C 174.269 0.300 1 971 91 91 GLN CA C 55.779 0.300 1 972 91 91 GLN CB C 29.068 0.300 1 973 91 91 GLN CG C 33.561 0.300 1 974 91 91 GLN N N 128.462 0.300 1 975 91 91 GLN NE2 N 110.693 0.300 1 976 92 92 ILE H H 8.502 0.030 1 977 92 92 ILE HA H 4.207 0.030 1 978 92 92 ILE HB H 1.697 0.030 1 979 92 92 ILE HD1 H 0.901 0.030 1 980 92 92 ILE HG12 H 1.538 0.030 2 981 92 92 ILE HG13 H 1.069 0.030 2 982 92 92 ILE HG2 H 0.851 0.030 1 983 92 92 ILE C C 175.576 0.300 1 984 92 92 ILE CA C 59.912 0.300 1 985 92 92 ILE CB C 39.741 0.300 1 986 92 92 ILE CD1 C 14.893 0.300 1 987 92 92 ILE CG1 C 27.794 0.300 1 988 92 92 ILE CG2 C 16.848 0.300 1 989 92 92 ILE N N 126.402 0.300 1 990 93 93 GLY H H 8.948 0.030 1 991 93 93 GLY HA2 H 3.898 0.030 2 992 93 93 GLY HA3 H 3.651 0.030 2 993 93 93 GLY CA C 46.990 0.300 1 994 93 93 GLY N N 117.789 0.300 1 995 94 94 MET H H 8.938 0.030 1 996 94 94 MET HA H 4.422 0.030 1 997 94 94 MET HB2 H 2.252 0.030 2 998 94 94 MET HB3 H 1.982 0.030 2 999 94 94 MET HE H 2.073 0.030 1 1000 94 94 MET HG2 H 2.644 0.030 2 1001 94 94 MET HG3 H 2.509 0.030 2 1002 94 94 MET C C 175.969 0.300 1 1003 94 94 MET CA C 55.412 0.300 1 1004 94 94 MET CB C 32.258 0.300 1 1005 94 94 MET CE C 16.786 0.300 1 1006 94 94 MET CG C 32.291 0.300 1 1007 94 94 MET N N 123.019 0.300 1 1008 95 95 LYS H H 7.823 0.030 1 1009 95 95 LYS HA H 4.476 0.030 1 1010 95 95 LYS HB2 H 1.772 0.030 2 1011 95 95 LYS HB3 H 1.643 0.030 2 1012 95 95 LYS HD2 H 1.331 0.030 2 1013 95 95 LYS HD3 H 1.278 0.030 2 1014 95 95 LYS HE2 H 2.876 0.030 2 1015 95 95 LYS HE3 H 2.810 0.030 2 1016 95 95 LYS HG2 H 1.265 0.030 2 1017 95 95 LYS HG3 H 1.172 0.030 2 1018 95 95 LYS C C 174.498 0.300 1 1019 95 95 LYS CA C 54.960 0.300 1 1020 95 95 LYS CB C 35.178 0.300 1 1021 95 95 LYS CD C 28.864 0.300 1 1022 95 95 LYS CE C 42.319 0.300 1 1023 95 95 LYS CG C 25.271 0.300 1 1024 95 95 LYS N N 119.532 0.300 1 1025 96 96 ARG H H 8.072 0.030 1 1026 96 96 ARG HA H 4.795 0.030 1 1027 96 96 ARG HB2 H 1.554 0.030 2 1028 96 96 ARG HB3 H 1.354 0.030 2 1029 96 96 ARG HD2 H 3.140 0.030 2 1030 96 96 ARG HD3 H 3.109 0.030 2 1031 96 96 ARG HG2 H 1.499 0.030 2 1032 96 96 ARG HG3 H 1.259 0.030 2 1033 96 96 ARG C C 177.910 0.300 1 1034 96 96 ARG CA C 54.362 0.300 1 1035 96 96 ARG CB C 31.813 0.300 1 1036 96 96 ARG CD C 43.475 0.300 1 1037 96 96 ARG CG C 28.068 0.300 1 1038 96 96 ARG N N 119.458 0.300 1 1039 97 97 LEU H H 8.984 0.030 1 1040 97 97 LEU HA H 4.304 0.030 1 1041 97 97 LEU HB2 H 2.120 0.030 2 1042 97 97 LEU HB3 H 1.399 0.030 2 1043 97 97 LEU HD1 H 0.875 0.030 1 1044 97 97 LEU HD2 H 0.669 0.030 1 1045 97 97 LEU HG H 1.961 0.030 1 1046 97 97 LEU C C 178.216 0.300 1 1047 97 97 LEU CA C 55.850 0.300 1 1048 97 97 LEU CB C 43.615 0.300 1 1049 97 97 LEU CD1 C 25.849 0.300 2 1050 97 97 LEU CD2 C 23.927 0.300 2 1051 97 97 LEU CG C 26.739 0.300 1 1052 97 97 LEU N N 122.285 0.300 1 1053 98 98 LYS H H 8.161 0.030 1 1054 98 98 LYS HA H 5.035 0.030 1 1055 98 98 LYS HB2 H 1.343 0.030 2 1056 98 98 LYS HB3 H 1.608 0.030 2 1057 98 98 LYS HD2 H 1.772 0.030 2 1058 98 98 LYS HD3 H 1.675 0.030 2 1059 98 98 LYS HE2 H 3.031 0.030 1 1060 98 98 LYS HE3 H 3.031 0.030 1 1061 98 98 LYS HG2 H 1.421 0.030 2 1062 98 98 LYS HG3 H 1.354 0.030 2 1063 98 98 LYS C C 174.600 0.300 1 1064 98 98 LYS CA C 54.865 0.300 1 1065 98 98 LYS CB C 33.927 0.300 1 1066 98 98 LYS CD C 29.302 0.300 1 1067 98 98 LYS CE C 42.109 0.300 1 1068 98 98 LYS CG C 24.922 0.300 1 1069 98 98 LYS N N 123.443 0.300 1 1070 99 99 VAL H H 8.704 0.030 1 1071 99 99 VAL HA H 4.754 0.030 1 1072 99 99 VAL HB H 1.815 0.030 1 1073 99 99 VAL HG1 H 0.973 0.030 1 1074 99 99 VAL HG2 H 0.884 0.030 1 1075 99 99 VAL C C 173.642 0.300 1 1076 99 99 VAL CA C 61.335 0.300 1 1077 99 99 VAL CB C 34.787 0.300 1 1078 99 99 VAL CG1 C 22.239 0.300 2 1079 99 99 VAL CG2 C 23.364 0.300 2 1080 99 99 VAL N N 124.057 0.300 1 1081 100 100 GLN H H 8.868 0.030 1 1082 100 100 GLN HA H 4.788 0.030 1 1083 100 100 GLN HB2 H 2.133 0.030 1 1084 100 100 GLN HB3 H 2.133 0.030 1 1085 100 100 GLN HE21 H 7.798 0.030 2 1086 100 100 GLN HE22 H 6.754 0.030 2 1087 100 100 GLN HG2 H 2.352 0.030 1 1088 100 100 GLN HG3 H 2.352 0.030 1 1089 100 100 GLN C C 174.188 0.300 1 1090 100 100 GLN CA C 53.461 0.300 1 1091 100 100 GLN CB C 32.709 0.300 1 1092 100 100 GLN CG C 32.483 0.300 1 1093 100 100 GLN N N 121.773 0.300 1 1094 100 100 GLN NE2 N 112.333 0.300 1 1095 101 101 LEU H H 8.852 0.030 1 1096 101 101 LEU HA H 4.584 0.030 1 1097 101 101 LEU HB2 H 1.806 0.030 2 1098 101 101 LEU HB3 H 1.627 0.030 2 1099 101 101 LEU HD1 H 0.999 0.030 1 1100 101 101 LEU HD2 H 0.833 0.030 1 1101 101 101 LEU HG H 1.740 0.030 1 1102 101 101 LEU C C 178.821 0.300 1 1103 101 101 LEU CA C 56.108 0.300 1 1104 101 101 LEU CB C 41.625 0.300 1 1105 101 101 LEU CD1 C 25.919 0.300 2 1106 101 101 LEU CD2 C 22.746 0.300 2 1107 101 101 LEU CG C 26.747 0.300 1 1108 101 101 LEU N N 121.043 0.300 1 1109 102 102 LYS H H 8.618 0.030 1 1110 102 102 LYS HA H 4.436 0.030 1 1111 102 102 LYS HB2 H 2.258 0.030 2 1112 102 102 LYS HB3 H 1.700 0.030 2 1113 102 102 LYS HD2 H 2.033 0.030 2 1114 102 102 LYS HD3 H 1.729 0.030 2 1115 102 102 LYS HE2 H 3.046 0.030 1 1116 102 102 LYS HE3 H 3.046 0.030 1 1117 102 102 LYS HG2 H 1.510 0.030 2 1118 102 102 LYS HG3 H 1.311 0.030 2 1119 102 102 LYS C C 174.828 0.300 1 1120 102 102 LYS CA C 56.452 0.300 1 1121 102 102 LYS CB C 33.326 0.300 1 1122 102 102 LYS CD C 30.372 0.300 1 1123 102 102 LYS CE C 42.260 0.300 1 1124 102 102 LYS CG C 24.467 0.300 1 1125 102 102 LYS N N 122.257 0.300 1 1126 103 103 ARG H H 7.883 0.030 1 1127 103 103 ARG HA H 4.223 0.030 1 1128 103 103 ARG HB2 H 1.665 0.030 2 1129 103 103 ARG HB3 H 1.468 0.030 2 1130 103 103 ARG HD2 H 2.952 0.030 1 1131 103 103 ARG HD3 H 2.952 0.030 1 1132 103 103 ARG HG2 H 1.540 0.030 2 1133 103 103 ARG HG3 H 1.493 0.030 2 1134 103 103 ARG C C 176.016 0.300 1 1135 103 103 ARG CA C 56.537 0.300 1 1136 103 103 ARG CB C 30.872 0.300 1 1137 103 103 ARG CD C 43.718 0.300 1 1138 103 103 ARG CG C 26.835 0.300 1 1139 103 103 ARG N N 123.278 0.300 1 1140 104 104 SER H H 8.711 0.030 1 1141 104 104 SER HA H 4.534 0.030 1 1142 104 104 SER HB2 H 3.954 0.030 2 1143 104 104 SER HB3 H 3.886 0.030 2 1144 104 104 SER C C 174.999 0.300 1 1145 104 104 SER CA C 58.088 0.300 1 1146 104 104 SER CB C 64.116 0.300 1 1147 104 104 SER N N 121.159 0.300 1 1148 105 105 LYS H H 8.792 0.030 1 1149 105 105 LYS HA H 4.238 0.030 1 1150 105 105 LYS HB2 H 1.841 0.030 2 1151 105 105 LYS HB3 H 1.782 0.030 2 1152 105 105 LYS HD2 H 1.658 0.030 1 1153 105 105 LYS HD3 H 1.658 0.030 1 1154 105 105 LYS HE2 H 2.980 0.030 1 1155 105 105 LYS HE3 H 2.980 0.030 1 1156 105 105 LYS HG2 H 1.465 0.030 1 1157 105 105 LYS HG3 H 1.465 0.030 1 1158 105 105 LYS C C 176.714 0.300 1 1159 105 105 LYS CA C 57.154 0.300 1 1160 105 105 LYS CB C 32.725 0.300 1 1161 105 105 LYS CD C 29.072 0.300 1 1162 105 105 LYS CE C 41.973 0.300 1 1163 105 105 LYS CG C 24.732 0.300 1 1164 105 105 LYS N N 124.469 0.300 1 1165 106 106 ASN H H 8.457 0.030 1 1166 106 106 ASN HA H 4.710 0.030 1 1167 106 106 ASN HB2 H 2.831 0.030 2 1168 106 106 ASN HB3 H 2.701 0.030 2 1169 106 106 ASN HD21 H 7.634 0.030 2 1170 106 106 ASN HD22 H 6.963 0.030 2 1171 106 106 ASN C C 175.005 0.300 1 1172 106 106 ASN CA C 53.263 0.300 1 1173 106 106 ASN CB C 38.901 0.300 1 1174 106 106 ASN N N 118.595 0.300 1 1175 106 106 ASN ND2 N 113.231 0.300 1 1176 107 107 ASP H H 8.126 0.030 1 1177 107 107 ASP HA H 4.610 0.030 1 1178 107 107 ASP HB2 H 2.684 0.030 1 1179 107 107 ASP HB3 H 2.684 0.030 1 1180 107 107 ASP C C 176.520 0.300 1 1181 107 107 ASP CA C 54.512 0.300 1 1182 107 107 ASP CB C 41.295 0.300 1 1183 107 107 ASP N N 121.113 0.300 1 1184 108 108 SER H H 8.268 0.030 1 1185 108 108 SER HA H 4.386 0.030 1 1186 108 108 SER HB2 H 3.903 0.030 2 1187 108 108 SER HB3 H 3.864 0.030 2 1188 108 108 SER C C 174.755 0.300 1 1189 108 108 SER CA C 58.763 0.300 1 1190 108 108 SER CB C 63.699 0.300 1 1191 108 108 SER N N 116.355 0.300 1 1192 109 109 LYS H H 8.342 0.030 1 1193 109 109 LYS HA H 4.364 0.030 1 1194 109 109 LYS HB2 H 1.881 0.030 2 1195 109 109 LYS HB3 H 1.787 0.030 2 1196 109 109 LYS HD2 H 1.663 0.030 1 1197 109 109 LYS HD3 H 1.663 0.030 1 1198 109 109 LYS HE2 H 2.975 0.030 1 1199 109 109 LYS HE3 H 2.975 0.030 1 1200 109 109 LYS HG2 H 1.405 0.030 1 1201 109 109 LYS HG3 H 1.405 0.030 1 1202 109 109 LYS C C 176.626 0.300 1 1203 109 109 LYS CA C 56.356 0.300 1 1204 109 109 LYS CB C 32.715 0.300 1 1205 109 109 LYS CD C 29.004 0.300 1 1206 109 109 LYS CE C 42.013 0.300 1 1207 109 109 LYS CG C 24.643 0.300 1 1208 109 109 LYS N N 122.828 0.300 1 1209 110 110 SER H H 8.223 0.030 1 1210 110 110 SER HA H 4.480 0.030 1 1211 110 110 SER HB2 H 3.857 0.030 1 1212 110 110 SER HB3 H 3.857 0.030 1 1213 110 110 SER C C 174.458 0.300 1 1214 110 110 SER CA C 58.358 0.300 1 1215 110 110 SER CB C 63.976 0.300 1 1216 110 110 SER N N 116.340 0.300 1 1217 111 111 GLY H H 8.207 0.030 1 1218 111 111 GLY HA2 H 4.133 0.030 2 1219 111 111 GLY HA3 H 4.094 0.030 2 1220 111 111 GLY CA C 44.686 0.300 1 1221 111 111 GLY N N 110.641 0.300 1 1222 112 112 PRO HA H 4.462 0.030 1 1223 112 112 PRO HB2 H 2.269 0.030 2 1224 112 112 PRO HB3 H 1.956 0.030 2 1225 112 112 PRO HD2 H 3.614 0.030 1 1226 112 112 PRO HD3 H 3.614 0.030 1 1227 112 112 PRO HG2 H 2.001 0.030 1 1228 112 112 PRO HG3 H 2.001 0.030 1 1229 112 112 PRO CA C 63.274 0.300 1 1230 112 112 PRO CB C 32.205 0.300 1 1231 112 112 PRO CD C 49.791 0.300 1 1232 112 112 PRO CG C 27.169 0.300 1 1233 113 113 SER H H 8.513 0.030 1 1234 113 113 SER N N 116.401 0.300 1 stop_ save_