data_11308 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 zinc finger domain of the protein arginine N-methyltransferase 3 from Mus musculus ; _BMRB_accession_number 11308 _BMRB_flat_file_name bmr11308.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Miyamoto K. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 699 "13C chemical shifts" 542 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C2H2 zinc finger domain of the protein arginine N-methyltransferase 3 from Mus musculus ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miyamoto K. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein arginine N-methyltransferase 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C2H2 zinc finger domain' $entity_1 'ZINC ION' $ZN 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 'C2H2 zinc finger domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GSSGSSGEPAHGRQHTPCLF CDRLFASAEETFSHCKLEHQ FNIDSMVHKHGLEFYGYIKL INFIRLKNPTVEYMNSIYNP VPWEKDEYLKPVLEDDLLLQ FDVEDLYEPVSTPFSSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 PRO 10 ALA 11 HIS 12 GLY 13 ARG 14 GLN 15 HIS 16 THR 17 PRO 18 CYS 19 LEU 20 PHE 21 CYS 22 ASP 23 ARG 24 LEU 25 PHE 26 ALA 27 SER 28 ALA 29 GLU 30 GLU 31 THR 32 PHE 33 SER 34 HIS 35 CYS 36 LYS 37 LEU 38 GLU 39 HIS 40 GLN 41 PHE 42 ASN 43 ILE 44 ASP 45 SER 46 MET 47 VAL 48 HIS 49 LYS 50 HIS 51 GLY 52 LEU 53 GLU 54 PHE 55 TYR 56 GLY 57 TYR 58 ILE 59 LYS 60 LEU 61 ILE 62 ASN 63 PHE 64 ILE 65 ARG 66 LEU 67 LYS 68 ASN 69 PRO 70 THR 71 VAL 72 GLU 73 TYR 74 MET 75 ASN 76 SER 77 ILE 78 TYR 79 ASN 80 PRO 81 VAL 82 PRO 83 TRP 84 GLU 85 LYS 86 ASP 87 GLU 88 TYR 89 LEU 90 LYS 91 PRO 92 VAL 93 LEU 94 GLU 95 ASP 96 ASP 97 LEU 98 LEU 99 LEU 100 GLN 101 PHE 102 ASP 103 VAL 104 GLU 105 ASP 106 LEU 107 TYR 108 GLU 109 PRO 110 VAL 111 SER 112 THR 113 PRO 114 PHE 115 SER 116 SER 117 GLY 118 PRO 119 SER 120 SER 121 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WIR "Solution Structure Of The C2h2 Zinc Finger Domain Of The Protein Arginine N-methyltransferase 3 From Mus Musculus" 100.00 121 100.00 100.00 1.01e-83 DBJ BAC25300 "unnamed protein product [Mus musculus]" 89.26 418 100.00 100.00 6.40e-73 DBJ BAC27531 "unnamed protein product [Mus musculus]" 91.74 528 97.30 98.20 8.36e-72 DBJ BAC39708 "unnamed protein product [Mus musculus]" 91.74 528 97.30 98.20 8.36e-72 DBJ BAG60456 "unnamed protein product [Homo sapiens]" 57.85 454 97.14 98.57 3.33e-39 GB AAH50775 "Prmt3 protein [Mus musculus]" 89.26 532 100.00 100.00 9.72e-72 GB AAN84530 "protein arginine methyltransferase 3 [Mus musculus]" 91.74 528 97.30 98.20 8.36e-72 GB EAW68334 "protein arginine methyltransferase 3, isoform CRA_b [Homo sapiens]" 57.85 454 97.14 98.57 3.26e-39 GB EDL22978 "protein arginine N-methyltransferase 3, partial [Mus musculus]" 89.26 571 100.00 100.00 1.35e-71 GB ERE78768 "oxidoreductase HTATIP2-like isoform 1, partial [Cricetulus griseus]" 76.03 476 97.83 100.00 1.00e-56 REF NP_001138639 "protein arginine N-methyltransferase 3 isoform 3 [Homo sapiens]" 57.85 454 97.14 98.57 3.26e-39 REF NP_598501 "protein arginine N-methyltransferase 3 [Mus musculus]" 91.74 528 97.30 98.20 8.36e-72 REF XP_003254364 "PREDICTED: protein arginine N-methyltransferase 3 isoform X4 [Nomascus leucogenys]" 57.85 454 97.14 98.57 3.33e-39 REF XP_004711656 "PREDICTED: protein arginine N-methyltransferase 3 [Echinops telfairi]" 57.85 453 97.14 98.57 3.39e-39 REF XP_005578451 "PREDICTED: protein arginine N-methyltransferase 3 isoform X3 [Macaca fascicularis]" 57.85 454 97.14 98.57 3.29e-39 SP Q922H1 "RecName: Full=Protein arginine N-methyltransferase 3; AltName: Full=Heterogeneous nuclear ribonucleoprotein methyltransferase-l" 89.26 532 100.00 100.00 9.72e-72 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_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 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P040126-40 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.14mM C2H2 zinc finger domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.1mM {ZnCl2;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.14 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.8996 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'C2H2 zinc finger domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.961 0.030 1 2 7 7 GLY HA3 H 3.961 0.030 1 3 7 7 GLY CA C 45.082 0.300 1 4 8 8 GLU H H 8.199 0.030 1 5 8 8 GLU HA H 4.568 0.030 1 6 8 8 GLU HB2 H 1.864 0.030 2 7 8 8 GLU HB3 H 2.010 0.030 2 8 8 8 GLU HG2 H 2.273 0.030 1 9 8 8 GLU HG3 H 2.273 0.030 1 10 8 8 GLU CA C 54.162 0.300 1 11 8 8 GLU CB C 29.607 0.300 1 12 8 8 GLU CG C 35.988 0.300 1 13 8 8 GLU N N 121.908 0.300 1 14 9 9 PRO HA H 4.367 0.030 1 15 9 9 PRO HB2 H 1.725 0.030 2 16 9 9 PRO HB3 H 1.790 0.030 2 17 9 9 PRO HD2 H 3.643 0.030 2 18 9 9 PRO HD3 H 3.809 0.030 2 19 9 9 PRO HG2 H 1.975 0.030 1 20 9 9 PRO HG3 H 1.975 0.030 1 21 9 9 PRO C C 176.735 0.300 1 22 9 9 PRO CA C 63.124 0.300 1 23 9 9 PRO CB C 31.816 0.300 1 24 9 9 PRO CD C 50.634 0.300 1 25 9 9 PRO CG C 27.433 0.300 1 26 10 10 ALA H H 8.440 0.030 1 27 10 10 ALA HA H 4.224 0.030 1 28 10 10 ALA HB H 1.324 0.030 1 29 10 10 ALA C C 177.707 0.300 1 30 10 10 ALA CA C 52.588 0.300 1 31 10 10 ALA CB C 19.077 0.300 1 32 10 10 ALA N N 124.221 0.300 1 33 11 11 HIS H H 8.211 0.030 1 34 11 11 HIS HA H 4.623 0.030 1 35 11 11 HIS HB2 H 3.113 0.030 2 36 11 11 HIS HB3 H 3.180 0.030 2 37 11 11 HIS HD2 H 7.102 0.030 1 38 11 11 HIS HE1 H 8.052 0.030 1 39 11 11 HIS C C 175.805 0.300 1 40 11 11 HIS CA C 55.982 0.300 1 41 11 11 HIS CB C 30.417 0.300 1 42 11 11 HIS CD2 C 120.049 0.300 1 43 11 11 HIS CE1 C 137.904 0.300 1 44 11 11 HIS N N 117.914 0.300 1 45 12 12 GLY H H 8.365 0.030 1 46 12 12 GLY HA2 H 3.951 0.030 1 47 12 12 GLY HA3 H 3.951 0.030 1 48 12 12 GLY C C 173.924 0.300 1 49 12 12 GLY CA C 45.302 0.300 1 50 12 12 GLY N N 109.958 0.300 1 51 13 13 ARG H H 8.308 0.030 1 52 13 13 ARG HA H 4.360 0.030 1 53 13 13 ARG HB2 H 1.769 0.030 2 54 13 13 ARG HB3 H 1.872 0.030 2 55 13 13 ARG HD2 H 3.215 0.030 1 56 13 13 ARG HD3 H 3.215 0.030 1 57 13 13 ARG HG2 H 1.629 0.030 1 58 13 13 ARG HG3 H 1.629 0.030 1 59 13 13 ARG C C 176.196 0.300 1 60 13 13 ARG CA C 56.031 0.300 1 61 13 13 ARG CB C 31.000 0.300 1 62 13 13 ARG CD C 43.398 0.300 1 63 13 13 ARG CG C 27.095 0.300 1 64 13 13 ARG N N 120.344 0.300 1 65 14 14 GLN H H 8.529 0.030 1 66 14 14 GLN HA H 4.306 0.030 1 67 14 14 GLN HB2 H 2.015 0.030 2 68 14 14 GLN HB3 H 1.960 0.030 2 69 14 14 GLN HE21 H 7.527 0.030 2 70 14 14 GLN HE22 H 6.889 0.030 2 71 14 14 GLN HG2 H 2.343 0.030 1 72 14 14 GLN HG3 H 2.343 0.030 1 73 14 14 GLN C C 174.823 0.300 1 74 14 14 GLN CA C 55.842 0.300 1 75 14 14 GLN CB C 29.538 0.300 1 76 14 14 GLN CG C 33.876 0.300 1 77 14 14 GLN N N 122.129 0.300 1 78 14 14 GLN NE2 N 112.662 0.300 1 79 15 15 HIS H H 8.170 0.030 1 80 15 15 HIS HA H 5.044 0.030 1 81 15 15 HIS HB2 H 2.825 0.030 2 82 15 15 HIS HB3 H 2.955 0.030 2 83 15 15 HIS HD2 H 6.646 0.030 1 84 15 15 HIS HE1 H 7.806 0.030 1 85 15 15 HIS C C 174.639 0.300 1 86 15 15 HIS CA C 55.054 0.300 1 87 15 15 HIS CB C 33.220 0.300 1 88 15 15 HIS CD2 C 120.459 0.300 1 89 15 15 HIS CE1 C 138.214 0.300 1 90 15 15 HIS N N 118.509 0.300 1 91 16 16 THR H H 9.151 0.030 1 92 16 16 THR HA H 5.063 0.030 1 93 16 16 THR HB H 3.846 0.030 1 94 16 16 THR HG2 H 0.978 0.030 1 95 16 16 THR C C 174.639 0.300 1 96 16 16 THR CA C 58.670 0.300 1 97 16 16 THR CB C 72.556 0.300 1 98 16 16 THR CG2 C 20.541 0.300 1 99 16 16 THR N N 118.122 0.300 1 100 17 17 PRO HA H 5.190 0.030 1 101 17 17 PRO HB2 H 2.042 0.030 2 102 17 17 PRO HB3 H 2.164 0.030 2 103 17 17 PRO HD2 H 3.798 0.030 2 104 17 17 PRO HD3 H 3.730 0.030 2 105 17 17 PRO HG2 H 1.904 0.030 1 106 17 17 PRO HG3 H 1.904 0.030 1 107 17 17 PRO C C 177.251 0.300 1 108 17 17 PRO CA C 61.667 0.300 1 109 17 17 PRO CB C 31.777 0.300 1 110 17 17 PRO CD C 51.692 0.300 1 111 17 17 PRO CG C 27.215 0.300 1 112 18 18 CYS H H 8.655 0.030 1 113 18 18 CYS HA H 3.906 0.030 1 114 18 18 CYS HB2 H 3.371 0.030 2 115 18 18 CYS HB3 H 3.070 0.030 2 116 18 18 CYS C C 173.525 0.300 1 117 18 18 CYS CA C 60.233 0.300 1 118 18 18 CYS CB C 29.135 0.300 1 119 18 18 CYS N N 121.978 0.300 1 120 19 19 LEU H H 6.044 0.030 1 121 19 19 LEU HA H 3.728 0.030 1 122 19 19 LEU HB2 H 1.023 0.030 2 123 19 19 LEU HB3 H 0.423 0.030 2 124 19 19 LEU HD1 H 0.579 0.030 1 125 19 19 LEU HD2 H 0.806 0.030 1 126 19 19 LEU HG H 1.326 0.030 1 127 19 19 LEU C C 177.528 0.300 1 128 19 19 LEU CA C 56.686 0.300 1 129 19 19 LEU CB C 45.244 0.300 1 130 19 19 LEU CD1 C 21.437 0.300 2 131 19 19 LEU CD2 C 25.695 0.300 2 132 19 19 LEU CG C 26.907 0.300 1 133 19 19 LEU N N 125.771 0.300 1 134 20 20 PHE H H 9.745 0.030 1 135 20 20 PHE HA H 4.540 0.030 1 136 20 20 PHE HB2 H 2.921 0.030 2 137 20 20 PHE HB3 H 0.973 0.030 2 138 20 20 PHE HD1 H 6.972 0.030 1 139 20 20 PHE HD2 H 6.972 0.030 1 140 20 20 PHE HE1 H 6.363 0.030 1 141 20 20 PHE HE2 H 6.363 0.030 1 142 20 20 PHE HZ H 5.889 0.030 1 143 20 20 PHE C C 174.281 0.300 1 144 20 20 PHE CA C 57.831 0.300 1 145 20 20 PHE CB C 40.317 0.300 1 146 20 20 PHE CD1 C 132.440 0.300 1 147 20 20 PHE CD2 C 132.440 0.300 1 148 20 20 PHE CE1 C 130.865 0.300 1 149 20 20 PHE CE2 C 130.865 0.300 1 150 20 20 PHE CZ C 127.707 0.300 1 151 20 20 PHE N N 118.103 0.300 1 152 21 21 CYS H H 7.516 0.030 1 153 21 21 CYS HA H 4.936 0.030 1 154 21 21 CYS HB2 H 3.382 0.030 2 155 21 21 CYS HB3 H 3.429 0.030 2 156 21 21 CYS C C 172.385 0.300 1 157 21 21 CYS CA C 58.664 0.300 1 158 21 21 CYS CB C 30.143 0.300 1 159 21 21 CYS N N 118.217 0.300 1 160 22 22 ASP H H 8.073 0.030 1 161 22 22 ASP HA H 4.660 0.030 1 162 22 22 ASP HB2 H 2.692 0.030 2 163 22 22 ASP HB3 H 2.760 0.030 2 164 22 22 ASP C C 177.088 0.300 1 165 22 22 ASP CA C 53.821 0.300 1 166 22 22 ASP CB C 40.897 0.300 1 167 22 22 ASP N N 113.860 0.300 1 168 23 23 ARG H H 8.485 0.030 1 169 23 23 ARG HA H 3.843 0.030 1 170 23 23 ARG HB2 H 1.316 0.030 2 171 23 23 ARG HB3 H 1.492 0.030 2 172 23 23 ARG HD2 H 3.200 0.030 2 173 23 23 ARG HD3 H 2.886 0.030 2 174 23 23 ARG HG2 H 1.893 0.030 2 175 23 23 ARG HG3 H 1.441 0.030 2 176 23 23 ARG C C 173.739 0.300 1 177 23 23 ARG CA C 57.860 0.300 1 178 23 23 ARG CB C 31.723 0.300 1 179 23 23 ARG CD C 43.902 0.300 1 180 23 23 ARG CG C 27.889 0.300 1 181 23 23 ARG N N 122.776 0.300 1 182 24 24 LEU H H 7.595 0.030 1 183 24 24 LEU HA H 4.776 0.030 1 184 24 24 LEU HB2 H 1.413 0.030 2 185 24 24 LEU HB3 H 0.891 0.030 2 186 24 24 LEU HD1 H 0.642 0.030 1 187 24 24 LEU HD2 H 0.563 0.030 1 188 24 24 LEU HG H 1.501 0.030 1 189 24 24 LEU C C 176.916 0.300 1 190 24 24 LEU CA C 53.282 0.300 1 191 24 24 LEU CB C 44.732 0.300 1 192 24 24 LEU CD1 C 25.186 0.300 2 193 24 24 LEU CD2 C 23.110 0.300 2 194 24 24 LEU CG C 26.662 0.300 1 195 24 24 LEU N N 118.118 0.300 1 196 25 25 PHE H H 8.878 0.030 1 197 25 25 PHE HA H 4.645 0.030 1 198 25 25 PHE HB2 H 2.909 0.030 2 199 25 25 PHE HB3 H 3.014 0.030 2 200 25 25 PHE HD1 H 7.079 0.030 1 201 25 25 PHE HD2 H 7.079 0.030 1 202 25 25 PHE HE1 H 6.801 0.030 1 203 25 25 PHE HE2 H 6.801 0.030 1 204 25 25 PHE HZ H 5.594 0.030 1 205 25 25 PHE C C 175.614 0.300 1 206 25 25 PHE CA C 57.490 0.300 1 207 25 25 PHE CB C 44.473 0.300 1 208 25 25 PHE CD1 C 131.867 0.300 1 209 25 25 PHE CD2 C 131.867 0.300 1 210 25 25 PHE CE1 C 130.477 0.300 1 211 25 25 PHE CE2 C 130.477 0.300 1 212 25 25 PHE CZ C 127.767 0.300 1 213 25 25 PHE N N 118.217 0.300 1 214 26 26 ALA H H 9.017 0.030 1 215 26 26 ALA HA H 4.353 0.030 1 216 26 26 ALA HB H 1.366 0.030 1 217 26 26 ALA C C 176.151 0.300 1 218 26 26 ALA CA C 52.237 0.300 1 219 26 26 ALA CB C 19.584 0.300 1 220 26 26 ALA N N 120.771 0.300 1 221 27 27 SER H H 7.225 0.030 1 222 27 27 SER HA H 4.717 0.030 1 223 27 27 SER HB2 H 4.016 0.030 2 224 27 27 SER HB3 H 4.294 0.030 2 225 27 27 SER C C 175.192 0.300 1 226 27 27 SER CA C 56.786 0.300 1 227 27 27 SER CB C 66.579 0.300 1 228 27 27 SER N N 105.955 0.300 1 229 28 28 ALA H H 9.845 0.030 1 230 28 28 ALA HA H 3.544 0.030 1 231 28 28 ALA HB H 1.247 0.030 1 232 28 28 ALA C C 177.892 0.300 1 233 28 28 ALA CA C 55.131 0.300 1 234 28 28 ALA CB C 18.684 0.300 1 235 28 28 ALA N N 127.478 0.300 1 236 29 29 GLU H H 9.658 0.030 1 237 29 29 GLU HA H 3.972 0.030 1 238 29 29 GLU HB2 H 2.045 0.030 2 239 29 29 GLU HB3 H 2.215 0.030 2 240 29 29 GLU HG2 H 2.439 0.030 2 241 29 29 GLU HG3 H 2.557 0.030 2 242 29 29 GLU C C 179.834 0.300 1 243 29 29 GLU CA C 61.162 0.300 1 244 29 29 GLU CB C 28.805 0.300 1 245 29 29 GLU CG C 36.986 0.300 1 246 29 29 GLU N N 118.872 0.300 1 247 30 30 GLU H H 8.095 0.030 1 248 30 30 GLU HA H 4.031 0.030 1 249 30 30 GLU HB2 H 2.060 0.030 2 250 30 30 GLU HB3 H 2.211 0.030 2 251 30 30 GLU HG2 H 2.373 0.030 1 252 30 30 GLU HG3 H 2.373 0.030 1 253 30 30 GLU C C 179.127 0.300 1 254 30 30 GLU CA C 59.185 0.300 1 255 30 30 GLU CB C 30.791 0.300 1 256 30 30 GLU CG C 37.571 0.300 1 257 30 30 GLU N N 118.619 0.300 1 258 31 31 THR H H 7.304 0.030 1 259 31 31 THR HA H 3.805 0.030 1 260 31 31 THR HB H 2.741 0.030 1 261 31 31 THR HG2 H 0.932 0.030 1 262 31 31 THR C C 177.391 0.300 1 263 31 31 THR CA C 67.302 0.300 1 264 31 31 THR CB C 67.245 0.300 1 265 31 31 THR CG2 C 21.239 0.300 1 266 31 31 THR N N 118.117 0.300 1 267 32 32 PHE H H 8.708 0.030 1 268 32 32 PHE HA H 4.714 0.030 1 269 32 32 PHE HB2 H 2.937 0.030 2 270 32 32 PHE HB3 H 3.255 0.030 2 271 32 32 PHE HD1 H 6.953 0.030 1 272 32 32 PHE HD2 H 6.953 0.030 1 273 32 32 PHE HE1 H 6.804 0.030 1 274 32 32 PHE HE2 H 6.804 0.030 1 275 32 32 PHE HZ H 7.707 0.030 1 276 32 32 PHE C C 179.692 0.300 1 277 32 32 PHE CA C 60.638 0.300 1 278 32 32 PHE CB C 37.416 0.300 1 279 32 32 PHE CD1 C 130.608 0.300 1 280 32 32 PHE CD2 C 130.608 0.300 1 281 32 32 PHE CE1 C 130.722 0.300 1 282 32 32 PHE CE2 C 130.722 0.300 1 283 32 32 PHE CZ C 130.899 0.300 1 284 32 32 PHE N N 121.299 0.300 1 285 33 33 SER H H 8.522 0.030 1 286 33 33 SER HA H 4.377 0.030 1 287 33 33 SER HB2 H 3.992 0.030 2 288 33 33 SER HB3 H 4.047 0.030 2 289 33 33 SER C C 176.597 0.300 1 290 33 33 SER CA C 62.089 0.300 1 291 33 33 SER CB C 62.494 0.300 1 292 33 33 SER N N 119.185 0.300 1 293 34 34 HIS H H 7.725 0.030 1 294 34 34 HIS HA H 4.572 0.030 1 295 34 34 HIS HB2 H 3.068 0.030 1 296 34 34 HIS HB3 H 3.068 0.030 1 297 34 34 HIS HD2 H 7.754 0.030 1 298 34 34 HIS HE1 H 7.869 0.030 1 299 34 34 HIS C C 177.579 0.300 1 300 34 34 HIS CA C 59.166 0.300 1 301 34 34 HIS CB C 27.398 0.300 1 302 34 34 HIS CD2 C 131.000 0.300 1 303 34 34 HIS CE1 C 138.335 0.300 1 304 34 34 HIS N N 121.676 0.300 1 305 35 35 CYS H H 9.009 0.030 1 306 35 35 CYS HA H 4.228 0.030 1 307 35 35 CYS HB2 H 3.452 0.030 2 308 35 35 CYS HB3 H 3.866 0.030 2 309 35 35 CYS C C 177.585 0.300 1 310 35 35 CYS CA C 65.939 0.300 1 311 35 35 CYS CB C 27.581 0.300 1 312 35 35 CYS N N 117.775 0.300 1 313 36 36 LYS H H 8.013 0.030 1 314 36 36 LYS HA H 3.786 0.030 1 315 36 36 LYS HB2 H 2.028 0.030 2 316 36 36 LYS HB3 H 2.032 0.030 2 317 36 36 LYS HD2 H 1.714 0.030 1 318 36 36 LYS HD3 H 1.714 0.030 1 319 36 36 LYS HE2 H 2.869 0.030 2 320 36 36 LYS HE3 H 2.954 0.030 2 321 36 36 LYS HG2 H 1.309 0.030 2 322 36 36 LYS HG3 H 1.660 0.030 2 323 36 36 LYS C C 178.136 0.300 1 324 36 36 LYS CA C 60.482 0.300 1 325 36 36 LYS CB C 33.165 0.300 1 326 36 36 LYS CD C 30.047 0.300 1 327 36 36 LYS CE C 41.878 0.300 1 328 36 36 LYS CG C 25.905 0.300 1 329 36 36 LYS N N 122.466 0.300 1 330 37 37 LEU H H 7.770 0.030 1 331 37 37 LEU HA H 4.133 0.030 1 332 37 37 LEU HB2 H 1.627 0.030 2 333 37 37 LEU HB3 H 1.803 0.030 2 334 37 37 LEU HD1 H 0.922 0.030 1 335 37 37 LEU HD2 H 0.927 0.030 1 336 37 37 LEU HG H 1.716 0.030 1 337 37 37 LEU C C 178.534 0.300 1 338 37 37 LEU CA C 57.617 0.300 1 339 37 37 LEU CB C 43.178 0.300 1 340 37 37 LEU CD1 C 23.717 0.300 2 341 37 37 LEU CD2 C 24.453 0.300 2 342 37 37 LEU CG C 27.167 0.300 1 343 37 37 LEU N N 118.452 0.300 1 344 38 38 GLU H H 8.580 0.030 1 345 38 38 GLU HA H 4.340 0.030 1 346 38 38 GLU HB2 H 1.162 0.030 2 347 38 38 GLU HB3 H 1.302 0.030 2 348 38 38 GLU HG2 H 2.039 0.030 1 349 38 38 GLU HG3 H 2.039 0.030 1 350 38 38 GLU C C 177.115 0.300 1 351 38 38 GLU CA C 57.023 0.300 1 352 38 38 GLU CB C 30.270 0.300 1 353 38 38 GLU CG C 36.782 0.300 1 354 38 38 GLU N N 114.127 0.300 1 355 39 39 HIS H H 6.777 0.030 1 356 39 39 HIS HA H 5.033 0.030 1 357 39 39 HIS HB2 H 3.074 0.030 2 358 39 39 HIS HB3 H 3.182 0.030 2 359 39 39 HIS HD2 H 7.078 0.030 1 360 39 39 HIS HE1 H 8.094 0.030 1 361 39 39 HIS C C 173.683 0.300 1 362 39 39 HIS CA C 53.875 0.300 1 363 39 39 HIS CB C 29.281 0.300 1 364 39 39 HIS CD2 C 128.054 0.300 1 365 39 39 HIS CE1 C 140.262 0.300 1 366 39 39 HIS N N 110.867 0.300 1 367 40 40 GLN H H 7.187 0.030 1 368 40 40 GLN HA H 3.993 0.030 1 369 40 40 GLN HB2 H 2.214 0.030 2 370 40 40 GLN HB3 H 2.303 0.030 2 371 40 40 GLN HE21 H 6.584 0.030 2 372 40 40 GLN HE22 H 7.301 0.030 2 373 40 40 GLN HG2 H 2.248 0.030 1 374 40 40 GLN HG3 H 2.248 0.030 1 375 40 40 GLN C C 173.894 0.300 1 376 40 40 GLN CA C 57.569 0.300 1 377 40 40 GLN CB C 25.692 0.300 1 378 40 40 GLN CG C 34.399 0.300 1 379 40 40 GLN N N 112.309 0.300 1 380 40 40 GLN NE2 N 112.420 0.300 1 381 41 41 PHE H H 7.725 0.030 1 382 41 41 PHE HA H 4.737 0.030 1 383 41 41 PHE HB2 H 2.529 0.030 1 384 41 41 PHE HB3 H 2.529 0.030 1 385 41 41 PHE HD1 H 7.219 0.030 1 386 41 41 PHE HD2 H 7.219 0.030 1 387 41 41 PHE HE1 H 7.192 0.030 1 388 41 41 PHE HE2 H 7.192 0.030 1 389 41 41 PHE HZ H 6.921 0.030 1 390 41 41 PHE C C 173.227 0.300 1 391 41 41 PHE CA C 56.453 0.300 1 392 41 41 PHE CB C 41.633 0.300 1 393 41 41 PHE CD1 C 132.658 0.300 1 394 41 41 PHE CD2 C 132.658 0.300 1 395 41 41 PHE CE1 C 130.588 0.300 1 396 41 41 PHE CE2 C 130.588 0.300 1 397 41 41 PHE CZ C 128.349 0.300 1 398 41 41 PHE N N 117.951 0.300 1 399 42 42 ASN H H 8.893 0.030 1 400 42 42 ASN HA H 4.656 0.030 1 401 42 42 ASN HB2 H 2.962 0.030 2 402 42 42 ASN HB3 H 2.471 0.030 2 403 42 42 ASN HD21 H 7.147 0.030 2 404 42 42 ASN HD22 H 7.614 0.030 2 405 42 42 ASN C C 174.795 0.300 1 406 42 42 ASN CA C 50.764 0.300 1 407 42 42 ASN CB C 39.172 0.300 1 408 42 42 ASN N N 128.008 0.300 1 409 42 42 ASN ND2 N 112.207 0.300 1 410 43 43 ILE H H 8.637 0.030 1 411 43 43 ILE HA H 3.538 0.030 1 412 43 43 ILE HB H 1.279 0.030 1 413 43 43 ILE HD1 H 0.811 0.030 1 414 43 43 ILE HG12 H 0.942 0.030 2 415 43 43 ILE HG13 H 0.646 0.030 2 416 43 43 ILE HG2 H 0.204 0.030 1 417 43 43 ILE C C 174.506 0.300 1 418 43 43 ILE CA C 60.350 0.300 1 419 43 43 ILE CB C 38.100 0.300 1 420 43 43 ILE CD1 C 13.676 0.300 1 421 43 43 ILE CG1 C 28.230 0.300 1 422 43 43 ILE CG2 C 18.003 0.300 1 423 43 43 ILE N N 125.378 0.300 1 424 44 44 ASP H H 7.858 0.030 1 425 44 44 ASP HA H 4.029 0.030 1 426 44 44 ASP HB2 H 2.578 0.030 2 427 44 44 ASP HB3 H 2.654 0.030 2 428 44 44 ASP C C 178.450 0.300 1 429 44 44 ASP CA C 57.183 0.300 1 430 44 44 ASP CB C 39.915 0.300 1 431 44 44 ASP N N 121.941 0.300 1 432 45 45 SER H H 7.239 0.030 1 433 45 45 SER HA H 4.201 0.030 1 434 45 45 SER HB2 H 3.868 0.030 1 435 45 45 SER HB3 H 3.868 0.030 1 436 45 45 SER C C 177.010 0.300 1 437 45 45 SER CA C 60.759 0.300 1 438 45 45 SER CB C 62.387 0.300 1 439 45 45 SER N N 114.023 0.300 1 440 46 46 MET H H 7.701 0.030 1 441 46 46 MET HA H 4.378 0.030 1 442 46 46 MET HB2 H 2.172 0.030 2 443 46 46 MET HB3 H 1.790 0.030 2 444 46 46 MET HE H 2.134 0.030 1 445 46 46 MET HG2 H 2.280 0.030 2 446 46 46 MET HG3 H 2.353 0.030 2 447 46 46 MET C C 178.160 0.300 1 448 46 46 MET CA C 57.431 0.300 1 449 46 46 MET CB C 31.525 0.300 1 450 46 46 MET CE C 18.279 0.300 1 451 46 46 MET CG C 32.836 0.300 1 452 46 46 MET N N 120.436 0.300 1 453 47 47 VAL H H 8.214 0.030 1 454 47 47 VAL HA H 3.503 0.030 1 455 47 47 VAL HB H 2.132 0.030 1 456 47 47 VAL HG1 H 0.875 0.030 1 457 47 47 VAL HG2 H 0.977 0.030 1 458 47 47 VAL C C 178.254 0.300 1 459 47 47 VAL CA C 66.623 0.300 1 460 47 47 VAL CB C 31.526 0.300 1 461 47 47 VAL CG1 C 20.962 0.300 2 462 47 47 VAL CG2 C 23.143 0.300 2 463 47 47 VAL N N 118.659 0.300 1 464 48 48 HIS H H 7.693 0.030 1 465 48 48 HIS HA H 4.477 0.030 1 466 48 48 HIS HB2 H 3.143 0.030 2 467 48 48 HIS HB3 H 3.221 0.030 2 468 48 48 HIS HD2 H 7.157 0.030 1 469 48 48 HIS HE1 H 8.092 0.030 1 470 48 48 HIS C C 177.906 0.300 1 471 48 48 HIS CA C 59.030 0.300 1 472 48 48 HIS CB C 29.795 0.300 1 473 48 48 HIS CD2 C 119.965 0.300 1 474 48 48 HIS CE1 C 137.529 0.300 1 475 48 48 HIS N N 115.810 0.300 1 476 49 49 LYS H H 8.825 0.030 1 477 49 49 LYS HA H 3.885 0.030 1 478 49 49 LYS HB2 H 1.861 0.030 2 479 49 49 LYS HB3 H 1.520 0.030 2 480 49 49 LYS HD2 H 1.478 0.030 2 481 49 49 LYS HD3 H 1.533 0.030 2 482 49 49 LYS HE2 H 2.768 0.030 2 483 49 49 LYS HE3 H 2.834 0.030 2 484 49 49 LYS HG2 H 1.084 0.030 1 485 49 49 LYS HG3 H 1.084 0.030 1 486 49 49 LYS C C 178.005 0.300 1 487 49 49 LYS CA C 59.444 0.300 1 488 49 49 LYS CB C 33.298 0.300 1 489 49 49 LYS CD C 29.958 0.300 1 490 49 49 LYS CE C 42.369 0.300 1 491 49 49 LYS CG C 24.699 0.300 1 492 49 49 LYS N N 120.864 0.300 1 493 50 50 HIS H H 7.551 0.030 1 494 50 50 HIS HA H 4.813 0.030 1 495 50 50 HIS HB2 H 3.666 0.030 2 496 50 50 HIS HB3 H 3.038 0.030 2 497 50 50 HIS HD2 H 7.385 0.030 1 498 50 50 HIS HE1 H 7.734 0.030 1 499 50 50 HIS C C 175.114 0.300 1 500 50 50 HIS CA C 55.874 0.300 1 501 50 50 HIS CB C 31.080 0.300 1 502 50 50 HIS CD2 C 118.602 0.300 1 503 50 50 HIS CE1 C 139.159 0.300 1 504 50 50 HIS N N 112.343 0.300 1 505 51 51 GLY H H 7.672 0.030 1 506 51 51 GLY HA2 H 3.811 0.030 2 507 51 51 GLY HA3 H 4.018 0.030 2 508 51 51 GLY C C 176.030 0.300 1 509 51 51 GLY CA C 47.735 0.300 1 510 51 51 GLY N N 112.362 0.300 1 511 52 52 LEU H H 8.171 0.030 1 512 52 52 LEU HA H 4.469 0.030 1 513 52 52 LEU HB2 H 1.936 0.030 2 514 52 52 LEU HB3 H 1.542 0.030 2 515 52 52 LEU HD1 H 0.768 0.030 1 516 52 52 LEU HD2 H 1.063 0.030 1 517 52 52 LEU HG H 1.918 0.030 1 518 52 52 LEU C C 176.852 0.300 1 519 52 52 LEU CA C 55.867 0.300 1 520 52 52 LEU CB C 42.124 0.300 1 521 52 52 LEU CD1 C 26.171 0.300 2 522 52 52 LEU CD2 C 23.732 0.300 2 523 52 52 LEU CG C 26.662 0.300 1 524 52 52 LEU N N 115.909 0.300 1 525 53 53 GLU H H 8.030 0.030 1 526 53 53 GLU HA H 4.727 0.030 1 527 53 53 GLU HB2 H 2.336 0.030 2 528 53 53 GLU HB3 H 2.415 0.030 2 529 53 53 GLU HG2 H 2.440 0.030 2 530 53 53 GLU HG3 H 2.475 0.030 2 531 53 53 GLU C C 175.414 0.300 1 532 53 53 GLU CA C 53.974 0.300 1 533 53 53 GLU CB C 30.347 0.300 1 534 53 53 GLU CG C 36.234 0.300 1 535 53 53 GLU N N 119.749 0.300 1 536 54 54 PHE H H 8.556 0.030 1 537 54 54 PHE HA H 4.140 0.030 1 538 54 54 PHE HB2 H 3.257 0.030 2 539 54 54 PHE HB3 H 2.656 0.030 2 540 54 54 PHE HD1 H 6.610 0.030 1 541 54 54 PHE HD2 H 6.610 0.030 1 542 54 54 PHE HE1 H 7.255 0.030 1 543 54 54 PHE HE2 H 7.255 0.030 1 544 54 54 PHE HZ H 7.326 0.030 1 545 54 54 PHE C C 176.178 0.300 1 546 54 54 PHE CA C 62.954 0.300 1 547 54 54 PHE CB C 39.915 0.300 1 548 54 54 PHE CD1 C 131.704 0.300 1 549 54 54 PHE CD2 C 131.704 0.300 1 550 54 54 PHE CE1 C 131.704 0.300 1 551 54 54 PHE CE2 C 131.704 0.300 1 552 54 54 PHE CZ C 130.218 0.300 1 553 54 54 PHE N N 120.350 0.300 1 554 55 55 TYR H H 8.625 0.030 1 555 55 55 TYR HA H 4.115 0.030 1 556 55 55 TYR HB2 H 3.047 0.030 2 557 55 55 TYR HB3 H 3.252 0.030 2 558 55 55 TYR HD1 H 7.383 0.030 1 559 55 55 TYR HD2 H 7.383 0.030 1 560 55 55 TYR HE1 H 7.082 0.030 1 561 55 55 TYR HE2 H 7.082 0.030 1 562 55 55 TYR C C 178.001 0.300 1 563 55 55 TYR CA C 62.255 0.300 1 564 55 55 TYR CB C 37.278 0.300 1 565 55 55 TYR CD1 C 133.092 0.300 1 566 55 55 TYR CD2 C 133.092 0.300 1 567 55 55 TYR CE1 C 118.600 0.300 1 568 55 55 TYR CE2 C 118.600 0.300 1 569 55 55 TYR N N 114.779 0.300 1 570 56 56 GLY H H 8.661 0.030 1 571 56 56 GLY HA2 H 3.926 0.030 2 572 56 56 GLY HA3 H 4.052 0.030 2 573 56 56 GLY C C 174.502 0.300 1 574 56 56 GLY CA C 47.822 0.300 1 575 56 56 GLY N N 109.033 0.300 1 576 57 57 TYR H H 8.358 0.030 1 577 57 57 TYR HA H 3.871 0.030 1 578 57 57 TYR HB2 H 2.670 0.030 2 579 57 57 TYR HB3 H 3.208 0.030 2 580 57 57 TYR HD1 H 6.743 0.030 1 581 57 57 TYR HD2 H 6.743 0.030 1 582 57 57 TYR HE1 H 6.779 0.030 1 583 57 57 TYR HE2 H 6.779 0.030 1 584 57 57 TYR C C 175.192 0.300 1 585 57 57 TYR CA C 62.051 0.300 1 586 57 57 TYR CB C 38.442 0.300 1 587 57 57 TYR CD1 C 132.381 0.300 1 588 57 57 TYR CD2 C 132.381 0.300 1 589 57 57 TYR CE1 C 117.695 0.300 1 590 57 57 TYR CE2 C 117.695 0.300 1 591 57 57 TYR N N 120.838 0.300 1 592 58 58 ILE H H 7.729 0.030 1 593 58 58 ILE HA H 3.249 0.030 1 594 58 58 ILE HB H 2.061 0.030 1 595 58 58 ILE HD1 H 0.763 0.030 1 596 58 58 ILE HG12 H 1.194 0.030 2 597 58 58 ILE HG13 H 1.379 0.030 2 598 58 58 ILE HG2 H 0.985 0.030 1 599 58 58 ILE C C 177.459 0.300 1 600 58 58 ILE CA C 64.388 0.300 1 601 58 58 ILE CB C 37.215 0.300 1 602 58 58 ILE CD1 C 12.688 0.300 1 603 58 58 ILE CG1 C 27.658 0.300 1 604 58 58 ILE CG2 C 18.824 0.300 1 605 58 58 ILE N N 118.199 0.300 1 606 59 59 LYS H H 7.755 0.030 1 607 59 59 LYS HA H 4.364 0.030 1 608 59 59 LYS HB2 H 2.825 0.030 2 609 59 59 LYS HB3 H 1.930 0.030 2 610 59 59 LYS HD2 H 1.802 0.030 2 611 59 59 LYS HD3 H 2.074 0.030 2 612 59 59 LYS HE2 H 2.858 0.030 1 613 59 59 LYS HE3 H 2.858 0.030 1 614 59 59 LYS HG2 H 1.218 0.030 2 615 59 59 LYS HG3 H 1.926 0.030 2 616 59 59 LYS C C 178.382 0.300 1 617 59 59 LYS CA C 58.983 0.300 1 618 59 59 LYS CB C 32.202 0.300 1 619 59 59 LYS CD C 30.343 0.300 1 620 59 59 LYS CE C 42.615 0.300 1 621 59 59 LYS CG C 26.662 0.300 1 622 59 59 LYS N N 117.209 0.300 1 623 60 60 LEU H H 7.667 0.030 1 624 60 60 LEU HA H 2.983 0.030 1 625 60 60 LEU HB2 H 0.026 0.030 2 626 60 60 LEU HB3 H 1.675 0.030 2 627 60 60 LEU HD1 H 0.388 0.030 1 628 60 60 LEU HD2 H -0.407 0.030 1 629 60 60 LEU HG H 0.904 0.030 1 630 60 60 LEU C C 177.528 0.300 1 631 60 60 LEU CA C 58.466 0.300 1 632 60 60 LEU CB C 40.400 0.300 1 633 60 60 LEU CD1 C 26.431 0.300 2 634 60 60 LEU CD2 C 23.977 0.300 2 635 60 60 LEU CG C 26.431 0.300 1 636 60 60 LEU N N 120.181 0.300 1 637 61 61 ILE H H 7.749 0.030 1 638 61 61 ILE HA H 3.346 0.030 1 639 61 61 ILE HB H 1.882 0.030 1 640 61 61 ILE HD1 H 0.574 0.030 1 641 61 61 ILE HG12 H 1.096 0.030 2 642 61 61 ILE HG13 H 0.597 0.030 2 643 61 61 ILE HG2 H 0.574 0.030 1 644 61 61 ILE C C 178.465 0.300 1 645 61 61 ILE CA C 61.783 0.300 1 646 61 61 ILE CB C 34.515 0.300 1 647 61 61 ILE CD1 C 8.000 0.300 1 648 61 61 ILE CG1 C 25.681 0.300 1 649 61 61 ILE CG2 C 18.534 0.300 1 650 61 61 ILE N N 117.067 0.300 1 651 62 62 ASN H H 8.345 0.030 1 652 62 62 ASN HA H 4.450 0.030 1 653 62 62 ASN HB2 H 3.474 0.030 2 654 62 62 ASN HB3 H 2.706 0.030 2 655 62 62 ASN HD21 H 7.370 0.030 2 656 62 62 ASN HD22 H 6.002 0.030 2 657 62 62 ASN C C 177.445 0.300 1 658 62 62 ASN CA C 57.225 0.300 1 659 62 62 ASN CB C 37.896 0.300 1 660 62 62 ASN N N 117.326 0.300 1 661 62 62 ASN ND2 N 116.420 0.300 1 662 63 63 PHE H H 8.854 0.030 1 663 63 63 PHE HA H 3.693 0.030 1 664 63 63 PHE HB2 H 2.330 0.030 2 665 63 63 PHE HB3 H 3.242 0.030 2 666 63 63 PHE HD1 H 6.821 0.030 1 667 63 63 PHE HD2 H 6.821 0.030 1 668 63 63 PHE HE1 H 7.371 0.030 1 669 63 63 PHE HE2 H 7.371 0.030 1 670 63 63 PHE HZ H 7.428 0.030 1 671 63 63 PHE C C 177.445 0.300 1 672 63 63 PHE CA C 62.184 0.300 1 673 63 63 PHE CB C 39.424 0.300 1 674 63 63 PHE CD1 C 132.104 0.300 1 675 63 63 PHE CD2 C 132.104 0.300 1 676 63 63 PHE CE1 C 130.839 0.300 1 677 63 63 PHE CE2 C 130.839 0.300 1 678 63 63 PHE CZ C 129.771 0.300 1 679 63 63 PHE N N 120.894 0.300 1 680 64 64 ILE H H 8.284 0.030 1 681 64 64 ILE HA H 3.050 0.030 1 682 64 64 ILE HB H 1.741 0.030 1 683 64 64 ILE HD1 H 0.623 0.030 1 684 64 64 ILE HG12 H 0.782 0.030 2 685 64 64 ILE HG13 H 2.243 0.030 2 686 64 64 ILE HG2 H 0.407 0.030 1 687 64 64 ILE C C 179.643 0.300 1 688 64 64 ILE CA C 65.115 0.300 1 689 64 64 ILE CB C 37.461 0.300 1 690 64 64 ILE CD1 C 14.637 0.300 1 691 64 64 ILE CG1 C 29.376 0.300 1 692 64 64 ILE CG2 C 19.299 0.300 1 693 64 64 ILE N N 120.256 0.300 1 694 65 65 ARG H H 8.658 0.030 1 695 65 65 ARG HA H 3.818 0.030 1 696 65 65 ARG HB2 H 2.190 0.030 2 697 65 65 ARG HB3 H 1.512 0.030 2 698 65 65 ARG HD2 H 2.828 0.030 2 699 65 65 ARG HD3 H 3.027 0.030 2 700 65 65 ARG HE H 9.065 0.030 1 701 65 65 ARG HG2 H 1.784 0.030 2 702 65 65 ARG HG3 H 1.926 0.030 2 703 65 65 ARG C C 178.326 0.300 1 704 65 65 ARG CA C 58.256 0.300 1 705 65 65 ARG CB C 30.833 0.300 1 706 65 65 ARG CD C 43.693 0.300 1 707 65 65 ARG CG C 26.668 0.300 1 708 65 65 ARG N N 118.092 0.300 1 709 65 65 ARG NE N 86.915 0.300 1 710 66 66 LEU H H 8.337 0.030 1 711 66 66 LEU HA H 4.179 0.030 1 712 66 66 LEU HB2 H 1.703 0.030 2 713 66 66 LEU HB3 H 1.821 0.030 2 714 66 66 LEU HD1 H 0.988 0.030 1 715 66 66 LEU HD2 H 1.029 0.030 1 716 66 66 LEU HG H 1.575 0.030 1 717 66 66 LEU C C 178.326 0.300 1 718 66 66 LEU CA C 57.019 0.300 1 719 66 66 LEU CB C 43.754 0.300 1 720 66 66 LEU CD1 C 23.962 0.300 2 721 66 66 LEU CD2 C 25.795 0.300 2 722 66 66 LEU CG C 27.153 0.300 1 723 66 66 LEU N N 117.554 0.300 1 724 67 67 LYS H H 8.183 0.030 1 725 67 67 LYS HA H 4.087 0.030 1 726 67 67 LYS HB2 H 1.375 0.030 2 727 67 67 LYS HB3 H 0.998 0.030 2 728 67 67 LYS HD2 H 1.414 0.030 2 729 67 67 LYS HD3 H 1.502 0.030 2 730 67 67 LYS HE2 H 3.028 0.030 2 731 67 67 LYS HE3 H 2.925 0.030 2 732 67 67 LYS HG2 H 1.084 0.030 1 733 67 67 LYS HG3 H 1.084 0.030 1 734 67 67 LYS C C 176.519 0.300 1 735 67 67 LYS CA C 54.809 0.300 1 736 67 67 LYS CB C 31.489 0.300 1 737 67 67 LYS CD C 27.737 0.300 1 738 67 67 LYS CE C 42.347 0.300 1 739 67 67 LYS CG C 24.699 0.300 1 740 67 67 LYS N N 114.096 0.300 1 741 68 68 ASN H H 7.990 0.030 1 742 68 68 ASN HA H 4.579 0.030 1 743 68 68 ASN HB2 H 2.617 0.030 2 744 68 68 ASN HB3 H 2.784 0.030 2 745 68 68 ASN HD21 H 7.380 0.030 2 746 68 68 ASN HD22 H 6.516 0.030 2 747 68 68 ASN C C 176.519 0.300 1 748 68 68 ASN CA C 54.475 0.300 1 749 68 68 ASN CB C 38.730 0.300 1 750 68 68 ASN N N 115.190 0.300 1 751 68 68 ASN ND2 N 111.709 0.300 1 752 69 69 PRO HA H 4.577 0.030 1 753 69 69 PRO HB2 H 2.245 0.030 2 754 69 69 PRO HB3 H 2.021 0.030 2 755 69 69 PRO HD2 H 2.984 0.030 2 756 69 69 PRO HD3 H 3.901 0.030 2 757 69 69 PRO HG2 H 1.860 0.030 2 758 69 69 PRO HG3 H 2.117 0.030 2 759 69 69 PRO C C 176.942 0.300 1 760 69 69 PRO CA C 62.339 0.300 1 761 69 69 PRO CB C 33.412 0.300 1 762 69 69 PRO CD C 51.431 0.300 1 763 69 69 PRO CG C 27.889 0.300 1 764 70 70 THR H H 8.138 0.030 1 765 70 70 THR HA H 4.565 0.030 1 766 70 70 THR HB H 4.814 0.030 1 767 70 70 THR HG2 H 1.424 0.030 1 768 70 70 THR C C 176.445 0.300 1 769 70 70 THR CA C 60.326 0.300 1 770 70 70 THR CB C 71.161 0.300 1 771 70 70 THR CG2 C 22.206 0.300 1 772 70 70 THR N N 108.304 0.300 1 773 71 71 VAL H H 8.702 0.030 1 774 71 71 VAL HA H 3.076 0.030 1 775 71 71 VAL HB H 1.668 0.030 1 776 71 71 VAL HG1 H 0.833 0.030 1 777 71 71 VAL HG2 H 0.143 0.030 1 778 71 71 VAL C C 177.842 0.300 1 779 71 71 VAL CA C 67.127 0.300 1 780 71 71 VAL CB C 31.274 0.300 1 781 71 71 VAL CG1 C 21.263 0.300 2 782 71 71 VAL CG2 C 21.753 0.300 2 783 71 71 VAL N N 122.142 0.300 1 784 72 72 GLU H H 8.583 0.030 1 785 72 72 GLU HA H 4.007 0.030 1 786 72 72 GLU HB2 H 2.120 0.030 2 787 72 72 GLU HB3 H 1.967 0.030 2 788 72 72 GLU HG2 H 2.307 0.030 2 789 72 72 GLU HG3 H 2.392 0.030 2 790 72 72 GLU C C 179.686 0.300 1 791 72 72 GLU CA C 60.191 0.300 1 792 72 72 GLU CB C 28.871 0.300 1 793 72 72 GLU CG C 36.738 0.300 1 794 72 72 GLU N N 118.560 0.300 1 795 73 73 TYR H H 8.142 0.030 1 796 73 73 TYR HA H 4.206 0.030 1 797 73 73 TYR HB2 H 3.204 0.030 2 798 73 73 TYR HB3 H 3.268 0.030 2 799 73 73 TYR HD1 H 7.214 0.030 1 800 73 73 TYR HD2 H 7.214 0.030 1 801 73 73 TYR HE1 H 6.882 0.030 1 802 73 73 TYR HE2 H 6.882 0.030 1 803 73 73 TYR C C 179.091 0.300 1 804 73 73 TYR CA C 61.268 0.300 1 805 73 73 TYR CB C 38.329 0.300 1 806 73 73 TYR CD1 C 133.723 0.300 1 807 73 73 TYR CD2 C 133.723 0.300 1 808 73 73 TYR CE1 C 118.352 0.300 1 809 73 73 TYR CE2 C 118.352 0.300 1 810 73 73 TYR N N 120.943 0.300 1 811 74 74 MET H H 8.074 0.030 1 812 74 74 MET HA H 4.572 0.030 1 813 74 74 MET HB2 H 2.216 0.030 2 814 74 74 MET HB3 H 2.565 0.030 2 815 74 74 MET HE H 2.051 0.030 1 816 74 74 MET HG2 H 3.133 0.030 2 817 74 74 MET HG3 H 2.671 0.030 2 818 74 74 MET C C 179.091 0.300 1 819 74 74 MET CA C 55.839 0.300 1 820 74 74 MET CB C 29.362 0.300 1 821 74 74 MET CE C 16.703 0.300 1 822 74 74 MET CG C 31.585 0.300 1 823 74 74 MET N N 116.880 0.300 1 824 75 75 ASN H H 8.671 0.030 1 825 75 75 ASN HA H 4.733 0.030 1 826 75 75 ASN HB2 H 2.861 0.030 2 827 75 75 ASN HB3 H 2.954 0.030 2 828 75 75 ASN HD21 H 7.573 0.030 2 829 75 75 ASN HD22 H 6.771 0.030 2 830 75 75 ASN C C 176.038 0.300 1 831 75 75 ASN CA C 54.372 0.300 1 832 75 75 ASN CB C 38.442 0.300 1 833 75 75 ASN ND2 N 110.162 0.300 1 834 76 76 SER H H 7.642 0.030 1 835 76 76 SER HA H 4.593 0.030 1 836 76 76 SER HB2 H 3.940 0.030 2 837 76 76 SER HB3 H 4.017 0.030 2 838 76 76 SER C C 173.947 0.300 1 839 76 76 SER CA C 58.313 0.300 1 840 76 76 SER CB C 64.457 0.300 1 841 76 76 SER N N 114.466 0.300 1 842 77 77 ILE H H 7.066 0.030 1 843 77 77 ILE HA H 3.835 0.030 1 844 77 77 ILE HB H 1.838 0.030 1 845 77 77 ILE HD1 H 0.716 0.030 1 846 77 77 ILE HG12 H 1.454 0.030 1 847 77 77 ILE HG13 H 1.454 0.030 1 848 77 77 ILE HG2 H 0.719 0.030 1 849 77 77 ILE C C 175.133 0.300 1 850 77 77 ILE CA C 60.939 0.300 1 851 77 77 ILE CB C 38.187 0.300 1 852 77 77 ILE CD1 C 13.409 0.300 1 853 77 77 ILE CG1 C 27.819 0.300 1 854 77 77 ILE CG2 C 18.808 0.300 1 855 77 77 ILE N N 122.501 0.300 1 856 78 78 TYR H H 8.185 0.030 1 857 78 78 TYR HA H 4.717 0.030 1 858 78 78 TYR HB2 H 2.950 0.030 2 859 78 78 TYR HB3 H 3.068 0.030 2 860 78 78 TYR HD1 H 7.201 0.030 1 861 78 78 TYR HD2 H 7.201 0.030 1 862 78 78 TYR HE1 H 6.808 0.030 1 863 78 78 TYR HE2 H 6.808 0.030 1 864 78 78 TYR C C 173.002 0.300 1 865 78 78 TYR CA C 56.830 0.300 1 866 78 78 TYR CB C 40.041 0.300 1 867 78 78 TYR CD1 C 133.827 0.300 1 868 78 78 TYR CD2 C 133.827 0.300 1 869 78 78 TYR CE1 C 118.114 0.300 1 870 78 78 TYR CE2 C 118.114 0.300 1 871 78 78 TYR N N 125.899 0.300 1 872 79 79 ASN H H 7.852 0.030 1 873 79 79 ASN HA H 4.444 0.030 1 874 79 79 ASN HB2 H 2.581 0.030 2 875 79 79 ASN HB3 H 2.641 0.030 2 876 79 79 ASN HD21 H 6.932 0.030 2 877 79 79 ASN HD22 H 7.545 0.030 2 878 79 79 ASN C C 173.002 0.300 1 879 79 79 ASN CA C 52.186 0.300 1 880 79 79 ASN CB C 39.424 0.300 1 881 79 79 ASN N N 117.153 0.300 1 882 79 79 ASN ND2 N 113.197 0.300 1 883 80 80 PRO HA H 4.633 0.030 1 884 80 80 PRO HB2 H 1.960 0.030 2 885 80 80 PRO HB3 H 2.233 0.030 2 886 80 80 PRO HD2 H 3.450 0.030 2 887 80 80 PRO HD3 H 3.578 0.030 2 888 80 80 PRO HG2 H 1.879 0.030 1 889 80 80 PRO HG3 H 1.879 0.030 1 890 80 80 PRO C C 176.242 0.300 1 891 80 80 PRO CA C 61.868 0.300 1 892 80 80 PRO CB C 33.988 0.300 1 893 80 80 PRO CD C 50.491 0.300 1 894 80 80 PRO CG C 24.799 0.300 1 895 81 81 VAL H H 8.343 0.030 1 896 81 81 VAL HA H 3.721 0.030 1 897 81 81 VAL HB H -0.395 0.030 1 898 81 81 VAL HG1 H 0.206 0.030 1 899 81 81 VAL HG2 H -0.084 0.030 1 900 81 81 VAL C C 176.242 0.300 1 901 81 81 VAL CA C 58.724 0.300 1 902 81 81 VAL CB C 29.467 0.300 1 903 81 81 VAL CG1 C 22.259 0.300 2 904 81 81 VAL CG2 C 17.827 0.300 2 905 81 81 VAL N N 118.641 0.300 1 906 82 82 PRO HA H 4.243 0.030 1 907 82 82 PRO HB2 H 1.840 0.030 2 908 82 82 PRO HB3 H 2.188 0.030 2 909 82 82 PRO HD2 H 2.888 0.030 2 910 82 82 PRO HD3 H 3.400 0.030 2 911 82 82 PRO HG2 H 2.227 0.030 2 912 82 82 PRO HG3 H 1.185 0.030 2 913 82 82 PRO C C 175.935 0.300 1 914 82 82 PRO CA C 63.967 0.300 1 915 82 82 PRO CB C 31.274 0.300 1 916 82 82 PRO CD C 50.520 0.300 1 917 82 82 PRO CG C 27.326 0.300 1 918 83 83 TRP H H 5.568 0.030 1 919 83 83 TRP HA H 4.448 0.030 1 920 83 83 TRP HB2 H 3.303 0.030 2 921 83 83 TRP HB3 H 2.109 0.030 2 922 83 83 TRP HD1 H 6.913 0.030 1 923 83 83 TRP HE1 H 9.944 0.030 1 924 83 83 TRP HE3 H 6.569 0.030 1 925 83 83 TRP HH2 H 5.955 0.030 1 926 83 83 TRP HZ2 H 6.850 0.030 1 927 83 83 TRP HZ3 H 6.640 0.030 1 928 83 83 TRP C C 174.440 0.300 1 929 83 83 TRP CA C 57.209 0.300 1 930 83 83 TRP CB C 26.421 0.300 1 931 83 83 TRP CD1 C 127.530 0.300 1 932 83 83 TRP CE3 C 117.670 0.300 1 933 83 83 TRP CH2 C 123.711 0.300 1 934 83 83 TRP CZ2 C 114.612 0.300 1 935 83 83 TRP CZ3 C 121.642 0.300 1 936 83 83 TRP N N 111.808 0.300 1 937 83 83 TRP NE1 N 132.765 0.300 1 938 84 84 GLU H H 6.346 0.030 1 939 84 84 GLU HA H 4.296 0.030 1 940 84 84 GLU HB2 H 1.485 0.030 2 941 84 84 GLU HB3 H 2.011 0.030 2 942 84 84 GLU HG2 H 1.944 0.030 2 943 84 84 GLU HG3 H 2.087 0.030 2 944 84 84 GLU C C 176.155 0.300 1 945 84 84 GLU CA C 56.390 0.300 1 946 84 84 GLU CB C 27.970 0.300 1 947 84 84 GLU CG C 35.988 0.300 1 948 84 84 GLU N N 121.985 0.300 1 949 85 85 LYS H H 8.136 0.030 1 950 85 85 LYS HA H 4.468 0.030 1 951 85 85 LYS HB2 H 1.670 0.030 2 952 85 85 LYS HB3 H 2.048 0.030 2 953 85 85 LYS HD2 H 1.742 0.030 1 954 85 85 LYS HD3 H 1.742 0.030 1 955 85 85 LYS HE2 H 2.861 0.030 2 956 85 85 LYS HE3 H 3.028 0.030 2 957 85 85 LYS HG2 H 1.456 0.030 2 958 85 85 LYS HG3 H 1.525 0.030 2 959 85 85 LYS C C 177.301 0.300 1 960 85 85 LYS CA C 55.905 0.300 1 961 85 85 LYS CB C 35.445 0.300 1 962 85 85 LYS CD C 29.116 0.300 1 963 85 85 LYS CE C 42.369 0.300 1 964 85 85 LYS CG C 25.204 0.300 1 965 85 85 LYS N N 120.756 0.300 1 966 86 86 ASP H H 8.780 0.030 1 967 86 86 ASP HA H 4.264 0.030 1 968 86 86 ASP HB2 H 2.578 0.030 2 969 86 86 ASP HB3 H 2.658 0.030 2 970 86 86 ASP C C 179.055 0.300 1 971 86 86 ASP CA C 57.357 0.300 1 972 86 86 ASP CB C 39.915 0.300 1 973 86 86 ASP N N 122.397 0.300 1 974 87 87 GLU H H 8.821 0.030 1 975 87 87 GLU HA H 4.001 0.030 1 976 87 87 GLU HB2 H 1.740 0.030 2 977 87 87 GLU HB3 H 1.562 0.030 2 978 87 87 GLU HG2 H 1.614 0.030 2 979 87 87 GLU HG3 H 1.685 0.030 2 980 87 87 GLU C C 178.070 0.300 1 981 87 87 GLU CA C 58.879 0.300 1 982 87 87 GLU CB C 29.018 0.300 1 983 87 87 GLU CG C 35.313 0.300 1 984 87 87 GLU N N 120.475 0.300 1 985 88 88 TYR H H 7.479 0.030 1 986 88 88 TYR HA H 4.857 0.030 1 987 88 88 TYR HB2 H 3.108 0.030 2 988 88 88 TYR HB3 H 4.260 0.030 2 989 88 88 TYR HD1 H 7.276 0.030 1 990 88 88 TYR HD2 H 7.276 0.030 1 991 88 88 TYR HE1 H 6.988 0.030 1 992 88 88 TYR HE2 H 6.988 0.030 1 993 88 88 TYR C C 174.118 0.300 1 994 88 88 TYR CA C 58.907 0.300 1 995 88 88 TYR CB C 36.485 0.300 1 996 88 88 TYR CD1 C 132.490 0.300 1 997 88 88 TYR CD2 C 132.490 0.300 1 998 88 88 TYR CE1 C 118.795 0.300 1 999 88 88 TYR CE2 C 118.795 0.300 1 1000 88 88 TYR N N 116.872 0.300 1 1001 89 89 LEU H H 7.790 0.030 1 1002 89 89 LEU HA H 4.274 0.030 1 1003 89 89 LEU HB2 H 1.587 0.030 2 1004 89 89 LEU HB3 H 1.866 0.030 2 1005 89 89 LEU HD1 H 0.959 0.030 1 1006 89 89 LEU HD2 H 1.075 0.030 1 1007 89 89 LEU HG H 1.641 0.030 1 1008 89 89 LEU C C 177.921 0.300 1 1009 89 89 LEU CA C 56.058 0.300 1 1010 89 89 LEU CB C 42.612 0.300 1 1011 89 89 LEU CD1 C 25.021 0.300 2 1012 89 89 LEU CD2 C 23.962 0.300 2 1013 89 89 LEU CG C 27.655 0.300 1 1014 89 89 LEU N N 117.681 0.300 1 1015 90 90 LYS H H 7.058 0.030 1 1016 90 90 LYS HA H 4.508 0.030 1 1017 90 90 LYS HB2 H 1.790 0.030 1 1018 90 90 LYS HB3 H 1.790 0.030 1 1019 90 90 LYS HD2 H 1.691 0.030 1 1020 90 90 LYS HD3 H 1.691 0.030 1 1021 90 90 LYS HE2 H 3.005 0.030 1 1022 90 90 LYS HE3 H 3.005 0.030 1 1023 90 90 LYS HG2 H 1.374 0.030 2 1024 90 90 LYS HG3 H 1.470 0.030 2 1025 90 90 LYS C C 177.921 0.300 1 1026 90 90 LYS CA C 53.904 0.300 1 1027 90 90 LYS CB C 32.556 0.300 1 1028 90 90 LYS CD C 29.376 0.300 1 1029 90 90 LYS CE C 42.137 0.300 1 1030 90 90 LYS CG C 24.468 0.300 1 1031 90 90 LYS N N 121.439 0.300 1 1032 91 91 PRO HA H 4.464 0.030 1 1033 91 91 PRO HB2 H 2.278 0.030 2 1034 91 91 PRO HB3 H 1.784 0.030 2 1035 91 91 PRO HD2 H 3.639 0.030 2 1036 91 91 PRO HD3 H 4.052 0.030 2 1037 91 91 PRO HG2 H 2.076 0.030 2 1038 91 91 PRO HG3 H 2.153 0.030 2 1039 91 91 PRO C C 178.098 0.300 1 1040 91 91 PRO CA C 63.159 0.300 1 1041 91 91 PRO CB C 32.056 0.300 1 1042 91 91 PRO CD C 50.750 0.300 1 1043 91 91 PRO CG C 27.850 0.300 1 1044 92 92 VAL H H 7.658 0.030 1 1045 92 92 VAL HA H 3.685 0.030 1 1046 92 92 VAL HB H 2.006 0.030 1 1047 92 92 VAL HG1 H 0.788 0.030 1 1048 92 92 VAL HG2 H 1.187 0.030 1 1049 92 92 VAL C C 176.636 0.300 1 1050 92 92 VAL CA C 65.178 0.300 1 1051 92 92 VAL CB C 32.307 0.300 1 1052 92 92 VAL CG1 C 21.017 0.300 2 1053 92 92 VAL CG2 C 23.922 0.300 2 1054 92 92 VAL N N 128.087 0.300 1 1055 93 93 LEU H H 8.834 0.030 1 1056 93 93 LEU HA H 4.570 0.030 1 1057 93 93 LEU HB2 H 1.550 0.030 1 1058 93 93 LEU HB3 H 1.550 0.030 1 1059 93 93 LEU HD1 H 0.818 0.030 1 1060 93 93 LEU HD2 H 0.825 0.030 1 1061 93 93 LEU HG H 1.470 0.030 1 1062 93 93 LEU C C 176.088 0.300 1 1063 93 93 LEU CA C 52.978 0.300 1 1064 93 93 LEU CB C 42.615 0.300 1 1065 93 93 LEU CD1 C 23.717 0.300 2 1066 93 93 LEU CD2 C 24.453 0.300 2 1067 93 93 LEU CG C 27.167 0.300 1 1068 93 93 LEU N N 122.220 0.300 1 1069 94 94 GLU H H 8.410 0.030 1 1070 94 94 GLU HA H 3.906 0.030 1 1071 94 94 GLU HB2 H 1.910 0.030 1 1072 94 94 GLU HB3 H 1.910 0.030 1 1073 94 94 GLU HG2 H 2.203 0.030 2 1074 94 94 GLU HG3 H 2.267 0.030 2 1075 94 94 GLU C C 176.745 0.300 1 1076 94 94 GLU CA C 57.889 0.300 1 1077 94 94 GLU CB C 29.623 0.300 1 1078 94 94 GLU CG C 36.283 0.300 1 1079 94 94 GLU N N 123.464 0.300 1 1080 95 95 ASP H H 8.732 0.030 1 1081 95 95 ASP HA H 4.308 0.030 1 1082 95 95 ASP HB2 H 2.828 0.030 2 1083 95 95 ASP HB3 H 2.648 0.030 2 1084 95 95 ASP C C 175.147 0.300 1 1085 95 95 ASP CA C 54.722 0.300 1 1086 95 95 ASP CB C 39.861 0.300 1 1087 95 95 ASP N N 120.693 0.300 1 1088 96 96 ASP H H 7.612 0.030 1 1089 96 96 ASP HA H 4.294 0.030 1 1090 96 96 ASP HB2 H 2.882 0.030 2 1091 96 96 ASP HB3 H 3.030 0.030 2 1092 96 96 ASP C C 179.999 0.300 1 1093 96 96 ASP CA C 54.309 0.300 1 1094 96 96 ASP CB C 41.512 0.300 1 1095 96 96 ASP N N 117.312 0.300 1 1096 97 97 LEU H H 8.539 0.030 1 1097 97 97 LEU HA H 4.057 0.030 1 1098 97 97 LEU HB2 H 1.491 0.030 1 1099 97 97 LEU HB3 H 1.491 0.030 1 1100 97 97 LEU HD1 H 0.721 0.030 1 1101 97 97 LEU HD2 H 0.854 0.030 1 1102 97 97 LEU HG H 1.749 0.030 1 1103 97 97 LEU C C 180.693 0.300 1 1104 97 97 LEU CA C 57.553 0.300 1 1105 97 97 LEU CB C 42.124 0.300 1 1106 97 97 LEU CD1 C 25.026 0.300 2 1107 97 97 LEU CD2 C 23.000 0.300 2 1108 97 97 LEU CG C 26.907 0.300 1 1109 97 97 LEU N N 129.176 0.300 1 1110 98 98 LEU H H 8.864 0.030 1 1111 98 98 LEU HA H 4.030 0.030 1 1112 98 98 LEU HB2 H 1.872 0.030 2 1113 98 98 LEU HB3 H 1.482 0.030 2 1114 98 98 LEU HD1 H 0.706 0.030 1 1115 98 98 LEU HD2 H 0.324 0.030 1 1116 98 98 LEU HG H 1.704 0.030 1 1117 98 98 LEU C C 179.879 0.300 1 1118 98 98 LEU CA C 57.556 0.300 1 1119 98 98 LEU CB C 39.356 0.300 1 1120 98 98 LEU CD1 C 26.154 0.300 2 1121 98 98 LEU CD2 C 21.508 0.300 2 1122 98 98 LEU CG C 26.431 0.300 1 1123 98 98 LEU N N 115.777 0.300 1 1124 99 99 LEU H H 7.448 0.030 1 1125 99 99 LEU HA H 4.471 0.030 1 1126 99 99 LEU HB2 H 1.791 0.030 2 1127 99 99 LEU HB3 H 2.049 0.030 2 1128 99 99 LEU HD1 H 1.285 0.030 1 1129 99 99 LEU HD2 H 0.865 0.030 1 1130 99 99 LEU HG H 1.640 0.030 1 1131 99 99 LEU C C 176.730 0.300 1 1132 99 99 LEU CA C 55.822 0.300 1 1133 99 99 LEU CB C 41.125 0.300 1 1134 99 99 LEU CD1 C 26.009 0.300 2 1135 99 99 LEU CD2 C 23.080 0.300 2 1136 99 99 LEU CG C 27.167 0.300 1 1137 99 99 LEU N N 116.381 0.300 1 1138 100 100 GLN H H 7.184 0.030 1 1139 100 100 GLN HA H 4.597 0.030 1 1140 100 100 GLN HB2 H 2.444 0.030 2 1141 100 100 GLN HB3 H 1.967 0.030 2 1142 100 100 GLN HE21 H 6.904 0.030 2 1143 100 100 GLN HE22 H 7.432 0.030 2 1144 100 100 GLN HG2 H 2.425 0.030 1 1145 100 100 GLN HG3 H 2.425 0.030 1 1146 100 100 GLN C C 174.781 0.300 1 1147 100 100 GLN CA C 54.885 0.300 1 1148 100 100 GLN CB C 29.031 0.300 1 1149 100 100 GLN CG C 33.791 0.300 1 1150 100 100 GLN N N 116.193 0.300 1 1151 100 100 GLN NE2 N 112.202 0.300 1 1152 101 101 PHE H H 7.183 0.030 1 1153 101 101 PHE HA H 4.481 0.030 1 1154 101 101 PHE HB2 H 3.007 0.030 2 1155 101 101 PHE HB3 H 3.102 0.030 2 1156 101 101 PHE HD1 H 6.987 0.030 1 1157 101 101 PHE HD2 H 6.987 0.030 1 1158 101 101 PHE HE1 H 7.109 0.030 1 1159 101 101 PHE HE2 H 7.109 0.030 1 1160 101 101 PHE HZ H 7.159 0.030 1 1161 101 101 PHE C C 173.451 0.300 1 1162 101 101 PHE CA C 57.624 0.300 1 1163 101 101 PHE CB C 41.172 0.300 1 1164 101 101 PHE CD1 C 132.094 0.300 1 1165 101 101 PHE CD2 C 132.094 0.300 1 1166 101 101 PHE CE1 C 131.037 0.300 1 1167 101 101 PHE CE2 C 131.037 0.300 1 1168 101 101 PHE CZ C 129.603 0.300 1 1169 101 101 PHE N N 122.097 0.300 1 1170 102 102 ASP H H 7.860 0.030 1 1171 102 102 ASP HA H 4.522 0.030 1 1172 102 102 ASP HB2 H 2.589 0.030 2 1173 102 102 ASP HB3 H 2.303 0.030 2 1174 102 102 ASP C C 175.367 0.300 1 1175 102 102 ASP CA C 52.623 0.300 1 1176 102 102 ASP CB C 40.651 0.300 1 1177 102 102 ASP N N 126.425 0.300 1 1178 103 103 VAL H H 7.832 0.030 1 1179 103 103 VAL HA H 3.485 0.030 1 1180 103 103 VAL HB H 1.680 0.030 1 1181 103 103 VAL HG1 H 0.658 0.030 1 1182 103 103 VAL HG2 H 0.718 0.030 1 1183 103 103 VAL C C 176.163 0.300 1 1184 103 103 VAL CA C 63.076 0.300 1 1185 103 103 VAL CB C 31.781 0.300 1 1186 103 103 VAL CG1 C 20.772 0.300 2 1187 103 103 VAL CG2 C 21.263 0.300 2 1188 103 103 VAL N N 122.826 0.300 1 1189 104 104 GLU H H 8.234 0.030 1 1190 104 104 GLU HA H 3.752 0.030 1 1191 104 104 GLU HB2 H 1.884 0.030 2 1192 104 104 GLU HB3 H 1.930 0.030 2 1193 104 104 GLU HG2 H 2.165 0.030 2 1194 104 104 GLU HG3 H 2.288 0.030 2 1195 104 104 GLU C C 177.723 0.300 1 1196 104 104 GLU CA C 58.160 0.300 1 1197 104 104 GLU CB C 28.994 0.300 1 1198 104 104 GLU CG C 36.800 0.300 1 1199 104 104 GLU N N 121.183 0.300 1 1200 105 105 ASP H H 7.819 0.030 1 1201 105 105 ASP HA H 4.440 0.030 1 1202 105 105 ASP HB2 H 2.508 0.030 2 1203 105 105 ASP HB3 H 2.623 0.030 2 1204 105 105 ASP C C 176.779 0.300 1 1205 105 105 ASP CA C 55.416 0.300 1 1206 105 105 ASP CB C 40.298 0.300 1 1207 105 105 ASP N N 118.618 0.300 1 1208 106 106 LEU H H 7.712 0.030 1 1209 106 106 LEU HA H 4.252 0.030 1 1210 106 106 LEU HB2 H 1.653 0.030 2 1211 106 106 LEU HB3 H 1.412 0.030 2 1212 106 106 LEU HD1 H 0.773 0.030 1 1213 106 106 LEU HD2 H 0.767 0.030 1 1214 106 106 LEU HG H 1.551 0.030 1 1215 106 106 LEU C C 177.117 0.300 1 1216 106 106 LEU CA C 55.111 0.300 1 1217 106 106 LEU CB C 41.769 0.300 1 1218 106 106 LEU CD1 C 26.171 0.300 2 1219 106 106 LEU CD2 C 23.025 0.300 2 1220 106 106 LEU CG C 26.922 0.300 1 1221 106 106 LEU N N 118.469 0.300 1 1222 107 107 TYR H H 7.724 0.030 1 1223 107 107 TYR HA H 4.549 0.030 1 1224 107 107 TYR HB2 H 2.950 0.030 2 1225 107 107 TYR HB3 H 3.018 0.030 2 1226 107 107 TYR HD1 H 7.073 0.030 1 1227 107 107 TYR HD2 H 7.073 0.030 1 1228 107 107 TYR HE1 H 6.727 0.030 1 1229 107 107 TYR HE2 H 6.727 0.030 1 1230 107 107 TYR C C 175.475 0.300 1 1231 107 107 TYR CA C 57.458 0.300 1 1232 107 107 TYR CB C 38.515 0.300 1 1233 107 107 TYR CD1 C 132.925 0.300 1 1234 107 107 TYR CD2 C 132.925 0.300 1 1235 107 107 TYR CE1 C 118.099 0.300 1 1236 107 107 TYR CE2 C 118.099 0.300 1 1237 107 107 TYR N N 119.565 0.300 1 1238 108 108 GLU H H 8.183 0.030 1 1239 108 108 GLU HA H 4.533 0.030 1 1240 108 108 GLU HB2 H 1.833 0.030 2 1241 108 108 GLU HB3 H 1.955 0.030 2 1242 108 108 GLU HG2 H 2.209 0.030 1 1243 108 108 GLU HG3 H 2.209 0.030 1 1244 108 108 GLU C C 175.475 0.300 1 1245 108 108 GLU CA C 54.034 0.300 1 1246 108 108 GLU CB C 30.100 0.300 1 1247 108 108 GLU CG C 36.002 0.300 1 1248 108 108 GLU N N 123.747 0.300 1 1249 109 109 PRO HA H 4.419 0.030 1 1250 109 109 PRO HB2 H 2.279 0.030 2 1251 109 109 PRO HB3 H 1.885 0.030 2 1252 109 109 PRO HD2 H 3.701 0.030 2 1253 109 109 PRO HD3 H 3.640 0.030 2 1254 109 109 PRO HG2 H 2.009 0.030 1 1255 109 109 PRO HG3 H 2.009 0.030 1 1256 109 109 PRO C C 176.972 0.300 1 1257 109 109 PRO CA C 63.037 0.300 1 1258 109 109 PRO CB C 32.025 0.300 1 1259 109 109 PRO CD C 50.767 0.300 1 1260 109 109 PRO CG C 27.326 0.300 1 1261 110 110 VAL H H 8.262 0.030 1 1262 110 110 VAL HA H 4.103 0.030 1 1263 110 110 VAL HB H 2.067 0.030 1 1264 110 110 VAL HG1 H 0.949 0.030 1 1265 110 110 VAL HG2 H 0.933 0.030 1 1266 110 110 VAL C C 176.345 0.300 1 1267 110 110 VAL CA C 62.297 0.300 1 1268 110 110 VAL CB C 32.754 0.300 1 1269 110 110 VAL CG1 C 20.526 0.300 2 1270 110 110 VAL CG2 C 21.321 0.300 2 1271 110 110 VAL N N 120.357 0.300 1 1272 111 111 SER H H 8.403 0.030 1 1273 111 111 SER HA H 4.526 0.030 1 1274 111 111 SER HB2 H 3.824 0.030 1 1275 111 111 SER HB3 H 3.824 0.030 1 1276 111 111 SER C C 174.225 0.300 1 1277 111 111 SER CA C 58.076 0.300 1 1278 111 111 SER CB C 64.009 0.300 1 1279 111 111 SER N N 119.732 0.300 1 1280 112 112 THR H H 8.325 0.030 1 1281 112 112 THR HA H 4.600 0.030 1 1282 112 112 THR HB H 4.124 0.030 1 1283 112 112 THR HG2 H 1.206 0.030 1 1284 112 112 THR C C 174.225 0.300 1 1285 112 112 THR CA C 59.561 0.300 1 1286 112 112 THR CB C 69.856 0.300 1 1287 112 112 THR CG2 C 21.278 0.300 1 1288 112 112 THR N N 118.018 0.300 1 1289 113 113 PRO HA H 4.357 0.030 1 1290 113 113 PRO HB2 H 2.176 0.030 2 1291 113 113 PRO HB3 H 1.719 0.030 2 1292 113 113 PRO HD2 H 3.621 0.030 2 1293 113 113 PRO HD3 H 3.777 0.030 2 1294 113 113 PRO HG2 H 1.896 0.030 1 1295 113 113 PRO HG3 H 1.896 0.030 1 1296 113 113 PRO C C 176.650 0.300 1 1297 113 113 PRO CA C 63.291 0.300 1 1298 113 113 PRO CB C 31.956 0.300 1 1299 113 113 PRO CD C 51.027 0.300 1 1300 113 113 PRO CG C 27.243 0.300 1 1301 114 114 PHE H H 8.241 0.030 1 1302 114 114 PHE HA H 4.601 0.030 1 1303 114 114 PHE HB2 H 3.049 0.030 2 1304 114 114 PHE HB3 H 3.125 0.030 2 1305 114 114 PHE HD1 H 7.245 0.030 1 1306 114 114 PHE HD2 H 7.245 0.030 1 1307 114 114 PHE HE1 H 7.331 0.030 1 1308 114 114 PHE HE2 H 7.331 0.030 1 1309 114 114 PHE HZ H 7.276 0.030 1 1310 114 114 PHE C C 175.826 0.300 1 1311 114 114 PHE CA C 57.819 0.300 1 1312 114 114 PHE CB C 39.305 0.300 1 1313 114 114 PHE CD1 C 131.726 0.300 1 1314 114 114 PHE CD2 C 131.726 0.300 1 1315 114 114 PHE CE1 C 131.706 0.300 1 1316 114 114 PHE CE2 C 131.706 0.300 1 1317 114 114 PHE CZ C 129.817 0.300 1 1318 114 114 PHE N N 120.109 0.300 1 1319 115 115 SER H H 8.115 0.030 1 1320 115 115 SER C C 175.826 0.300 1 1321 115 115 SER CA C 57.945 0.300 1 1322 115 115 SER CB C 63.977 0.300 1 1323 115 115 SER N N 117.471 0.300 1 1324 116 116 SER C C 175.826 0.300 1 1325 117 117 GLY H H 8.218 0.030 1 1326 117 117 GLY HA2 H 4.115 0.030 1 1327 117 117 GLY HA3 H 4.115 0.030 1 1328 117 117 GLY C C 175.826 0.300 1 1329 117 117 GLY CA C 44.636 0.300 1 1330 117 117 GLY N N 110.591 0.300 1 1331 118 118 PRO HA H 4.452 0.030 1 1332 118 118 PRO HB2 H 2.275 0.030 2 1333 118 118 PRO HB3 H 1.786 0.030 2 1334 118 118 PRO HD2 H 3.614 0.030 1 1335 118 118 PRO HD3 H 3.614 0.030 1 1336 118 118 PRO HG2 H 2.002 0.030 1 1337 118 118 PRO HG3 H 2.002 0.030 1 1338 118 118 PRO C C 177.401 0.300 1 1339 118 118 PRO CA C 63.230 0.300 1 1340 118 118 PRO CB C 32.175 0.300 1 1341 118 118 PRO CD C 49.801 0.300 1 1342 118 118 PRO CG C 27.156 0.300 1 1343 119 119 SER H H 8.524 0.030 1 1344 119 119 SER C C 174.685 0.300 1 1345 119 119 SER CA C 58.255 0.300 1 1346 119 119 SER CB C 63.674 0.300 1 1347 119 119 SER N N 116.472 0.300 1 1348 120 120 SER H H 8.331 0.030 1 1349 120 120 SER C C 174.685 0.300 1 1350 120 120 SER CA C 58.407 0.300 1 1351 120 120 SER CB C 63.981 0.300 1 1352 120 120 SER N N 117.853 0.300 1 1353 121 121 GLY C C 174.685 0.300 1 stop_ save_