data_11355 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Splicing Factor Motif in Pre-mRNA splicing factor 18 (hPRP18) ; _BMRB_accession_number 11355 _BMRB_flat_file_name bmr11355.str _Entry_type original _Submission_date 2010-09-07 _Accession_date 2010-09-07 _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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" 416 "13C chemical shifts" 309 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of Splicing Factor Motif in Pre-mRNA splicing factor 18 (hPRP18) ; _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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 'Pre-mRNA-splicing factor 18' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SFM domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SFM domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; GSSGSSGTSSNPVLELELAE EKLPMTLSRQEVIRRLRERG EPIRLFGETDYDAFQRLRKI EILTPEVNKGSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 SER 10 SER 11 ASN 12 PRO 13 VAL 14 LEU 15 GLU 16 LEU 17 GLU 18 LEU 19 ALA 20 GLU 21 GLU 22 LYS 23 LEU 24 PRO 25 MET 26 THR 27 LEU 28 SER 29 ARG 30 GLN 31 GLU 32 VAL 33 ILE 34 ARG 35 ARG 36 LEU 37 ARG 38 GLU 39 ARG 40 GLY 41 GLU 42 PRO 43 ILE 44 ARG 45 LEU 46 PHE 47 GLY 48 GLU 49 THR 50 ASP 51 TYR 52 ASP 53 ALA 54 PHE 55 GLN 56 ARG 57 LEU 58 ARG 59 LYS 60 ILE 61 GLU 62 ILE 63 LEU 64 THR 65 PRO 66 GLU 67 VAL 68 ASN 69 LYS 70 GLY 71 SER 72 GLY 73 PRO 74 SER 75 SER 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 2DK4 "Solution Structure Of Splicing Factor Motif In Pre-Mrna Splicing Factor 18 (Hprp18)" 100.00 76 100.00 100.00 4.66e-44 DBJ BAC28933 "unnamed protein product [Mus musculus]" 82.89 342 100.00 100.00 2.17e-33 DBJ BAE22619 "unnamed protein product [Mus musculus]" 82.89 342 100.00 100.00 2.17e-33 DBJ BAE22717 "unnamed protein product [Mus musculus]" 82.89 342 100.00 100.00 2.17e-33 DBJ BAE24112 "unnamed protein product [Mus musculus]" 82.89 342 100.00 100.00 2.17e-33 DBJ BAG37337 "unnamed protein product [Homo sapiens]" 82.89 342 98.41 98.41 3.52e-32 EMBL CAH90004 "hypothetical protein [Pongo abelii]" 82.89 342 100.00 100.00 2.33e-33 GB AAB41490 "hPrp18 [Homo sapiens]" 82.89 342 100.00 100.00 2.33e-33 GB AAF44715 "potassium channel regulatory factor [Rattus norvegicus]" 82.89 342 98.41 100.00 6.00e-33 GB AAH00794 "PRP18 pre-mRNA processing factor 18 homolog (S. cerevisiae) [Homo sapiens]" 82.89 342 100.00 100.00 2.33e-33 GB AAH04573 "PRP18 pre-mRNA processing factor 18 homolog (yeast) [Mus musculus]" 82.89 342 100.00 100.00 2.17e-33 GB AAH58631 "PRP18 pre-mRNA processing factor 18 homolog (yeast) [Mus musculus]" 82.89 342 100.00 100.00 2.17e-33 REF NP_001068791 "pre-mRNA-splicing factor 18 [Bos taurus]" 82.89 342 100.00 100.00 2.02e-33 REF NP_001124950 "pre-mRNA-splicing factor 18 [Pongo abelii]" 82.89 342 100.00 100.00 2.33e-33 REF NP_001231788 "PRP18 pre-mRNA processing factor 18 homolog [Sus scrofa]" 82.89 342 100.00 100.00 2.15e-33 REF NP_001247713 "pre-mRNA-splicing factor 18 [Macaca mulatta]" 82.89 342 100.00 100.00 2.33e-33 REF NP_001296236 "pre-mRNA processing factor 18 [Equus caballus]" 82.89 342 100.00 100.00 2.24e-33 SP Q2HJ41 "RecName: Full=Pre-mRNA-splicing factor 18; AltName: Full=PRP18 homolog" 82.89 342 100.00 100.00 2.02e-33 SP Q5RE03 "RecName: Full=Pre-mRNA-splicing factor 18; AltName: Full=PRP18 homolog" 82.89 342 100.00 100.00 2.33e-33 SP Q8BM39 "RecName: Full=Pre-mRNA-splicing factor 18; AltName: Full=PRP18 homolog" 82.89 342 100.00 100.00 2.17e-33 SP Q99633 "RecName: Full=Pre-mRNA-splicing factor 18; AltName: Full=PRP18 homolog; Short=hPRP18" 82.89 342 100.00 100.00 2.33e-33 SP Q9JKB8 "RecName: Full=Pre-mRNA-splicing factor 18; AltName: Full=PRP18 homolog; AltName: Full=Potassium channel regulatory factor" 82.89 342 98.41 100.00 6.00e-33 TPG DAA23561 "TPA: pre-mRNA-splicing factor 18 [Bos taurus]" 82.89 342 100.00 100.00 2.02e-33 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P050801-10 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.8mM {U-15N,13C;} 20mM phosphate buffer {NA;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' 'phosphate buffer NA' 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % '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 20031121 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 0.9321 loop_ _Vendor _Address _Electronic_address 'Kobayashi N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.8 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_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'SFM 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 4.080 0.030 1 2 7 7 GLY HA3 H 4.080 0.030 1 3 7 7 GLY C C 174.424 0.300 1 4 7 7 GLY CA C 45.489 0.300 1 5 8 8 THR H H 8.105 0.030 1 6 8 8 THR HA H 4.427 0.030 1 7 8 8 THR HB H 4.283 0.030 1 8 8 8 THR HG2 H 1.207 0.030 1 9 8 8 THR C C 174.810 0.300 1 10 8 8 THR CA C 61.739 0.300 1 11 8 8 THR CB C 69.995 0.300 1 12 8 8 THR CG2 C 21.539 0.300 1 13 8 8 THR N N 113.344 0.300 1 14 10 10 SER HA H 4.512 0.030 1 15 10 10 SER HB2 H 3.879 0.030 1 16 10 10 SER HB3 H 3.879 0.030 1 17 10 10 SER C C 173.803 0.300 1 18 10 10 SER CA C 58.404 0.300 1 19 10 10 SER CB C 63.912 0.300 1 20 11 11 ASN H H 8.378 0.030 1 21 11 11 ASN HA H 4.997 0.030 1 22 11 11 ASN HB2 H 2.850 0.030 2 23 11 11 ASN HB3 H 2.680 0.030 2 24 11 11 ASN C C 173.137 0.300 1 25 11 11 ASN CA C 51.431 0.300 1 26 11 11 ASN CB C 38.847 0.300 1 27 11 11 ASN N N 121.309 0.300 1 28 12 12 PRO HA H 4.436 0.030 1 29 12 12 PRO HB2 H 2.273 0.030 2 30 12 12 PRO HB3 H 1.931 0.030 2 31 12 12 PRO HD2 H 3.787 0.030 2 32 12 12 PRO HD3 H 3.740 0.030 2 33 12 12 PRO HG2 H 2.038 0.030 1 34 12 12 PRO HG3 H 2.038 0.030 1 35 12 12 PRO C C 176.944 0.300 1 36 12 12 PRO CA C 63.526 0.300 1 37 12 12 PRO CB C 32.244 0.300 1 38 12 12 PRO CD C 50.689 0.300 1 39 12 12 PRO CG C 27.376 0.300 1 40 13 13 VAL H H 8.120 0.030 1 41 13 13 VAL HA H 4.023 0.030 1 42 13 13 VAL HB H 2.060 0.030 1 43 13 13 VAL HG1 H 0.940 0.030 1 44 13 13 VAL HG2 H 0.947 0.030 1 45 13 13 VAL C C 176.305 0.300 1 46 13 13 VAL CA C 62.864 0.300 1 47 13 13 VAL CB C 32.442 0.300 1 48 13 13 VAL CG1 C 21.235 0.300 2 49 13 13 VAL CG2 C 20.678 0.300 2 50 13 13 VAL N N 120.128 0.300 1 51 14 14 LEU H H 8.122 0.030 1 52 14 14 LEU HA H 4.339 0.030 1 53 14 14 LEU HB2 H 1.634 0.030 1 54 14 14 LEU HB3 H 1.634 0.030 1 55 14 14 LEU HD1 H 0.935 0.030 1 56 14 14 LEU HD2 H 0.935 0.030 1 57 14 14 LEU HG H 1.634 0.030 1 58 14 14 LEU C C 177.344 0.300 1 59 14 14 LEU CA C 55.305 0.300 1 60 14 14 LEU CB C 42.561 0.300 1 61 14 14 LEU CD1 C 24.878 0.300 2 62 14 14 LEU CD2 C 23.837 0.300 2 63 14 14 LEU CG C 26.935 0.300 1 64 14 14 LEU N N 125.575 0.300 1 65 15 15 GLU H H 8.313 0.030 1 66 15 15 GLU HA H 4.239 0.030 1 67 15 15 GLU HB2 H 2.046 0.030 2 68 15 15 GLU HB3 H 1.970 0.030 2 69 15 15 GLU HG2 H 2.262 0.030 1 70 15 15 GLU HG3 H 2.262 0.030 1 71 15 15 GLU C C 176.509 0.300 1 72 15 15 GLU CA C 56.856 0.300 1 73 15 15 GLU CB C 30.134 0.300 1 74 15 15 GLU CG C 36.431 0.300 1 75 15 15 GLU N N 121.505 0.300 1 76 16 16 LEU H H 8.102 0.030 1 77 16 16 LEU HA H 4.301 0.030 1 78 16 16 LEU HB2 H 1.650 0.030 2 79 16 16 LEU HB3 H 1.584 0.030 2 80 16 16 LEU HD1 H 0.908 0.030 1 81 16 16 LEU HD2 H 0.944 0.030 1 82 16 16 LEU HG H 1.634 0.030 1 83 16 16 LEU C C 177.397 0.300 1 84 16 16 LEU CA C 55.531 0.300 1 85 16 16 LEU CB C 42.605 0.300 1 86 16 16 LEU CD1 C 25.149 0.300 2 87 16 16 LEU CD2 C 23.837 0.300 2 88 16 16 LEU CG C 27.064 0.300 1 89 16 16 LEU N N 122.621 0.300 1 90 17 17 GLU H H 8.322 0.030 1 91 17 17 GLU HA H 4.236 0.030 1 92 17 17 GLU HB2 H 1.949 0.030 1 93 17 17 GLU HB3 H 1.949 0.030 1 94 17 17 GLU HG2 H 2.254 0.030 1 95 17 17 GLU HG3 H 2.254 0.030 1 96 17 17 GLU C C 176.553 0.300 1 97 17 17 GLU CA C 56.783 0.300 1 98 17 17 GLU CB C 30.223 0.300 1 99 17 17 GLU CG C 36.431 0.300 1 100 17 17 GLU N N 121.459 0.300 1 101 18 18 LEU H H 8.197 0.030 1 102 18 18 LEU HA H 4.332 0.030 1 103 18 18 LEU HB2 H 1.650 0.030 2 104 18 18 LEU HB3 H 1.580 0.030 2 105 18 18 LEU HD1 H 0.926 0.030 1 106 18 18 LEU HD2 H 0.884 0.030 1 107 18 18 LEU HG H 1.630 0.030 1 108 18 18 LEU C C 177.175 0.300 1 109 18 18 LEU CA C 55.081 0.300 1 110 18 18 LEU CB C 42.428 0.300 1 111 18 18 LEU CD1 C 24.982 0.300 2 112 18 18 LEU CD2 C 23.398 0.300 2 113 18 18 LEU CG C 26.960 0.300 1 114 18 18 LEU N N 123.026 0.300 1 115 19 19 ALA H H 8.206 0.030 1 116 19 19 ALA HA H 4.285 0.030 1 117 19 19 ALA HB H 1.401 0.030 1 118 19 19 ALA C C 177.815 0.300 1 119 19 19 ALA CA C 52.697 0.300 1 120 19 19 ALA CB C 19.244 0.300 1 121 19 19 ALA N N 124.859 0.300 1 122 20 20 GLU H H 8.309 0.030 1 123 20 20 GLU HA H 4.211 0.030 1 124 20 20 GLU HB2 H 2.022 0.030 2 125 20 20 GLU HB3 H 1.943 0.030 2 126 20 20 GLU HG2 H 2.243 0.030 1 127 20 20 GLU HG3 H 2.243 0.030 1 128 20 20 GLU C C 176.571 0.300 1 129 20 20 GLU CA C 56.787 0.300 1 130 20 20 GLU CB C 30.310 0.300 1 131 20 20 GLU CG C 36.431 0.300 1 132 20 20 GLU N N 119.935 0.300 1 133 21 21 GLU H H 8.362 0.030 1 134 21 21 GLU HA H 4.243 0.030 1 135 21 21 GLU HB2 H 1.947 0.030 2 136 21 21 GLU HB3 H 2.003 0.030 2 137 21 21 GLU HG2 H 2.232 0.030 1 138 21 21 GLU HG3 H 2.232 0.030 1 139 21 21 GLU C C 176.287 0.300 1 140 21 21 GLU CA C 56.724 0.300 1 141 21 21 GLU CB C 30.267 0.300 1 142 21 21 GLU CG C 36.431 0.300 1 143 21 21 GLU N N 121.864 0.300 1 144 22 22 LYS H H 8.255 0.030 1 145 22 22 LYS HA H 4.317 0.030 1 146 22 22 LYS HB2 H 1.768 0.030 2 147 22 22 LYS HB3 H 1.710 0.030 2 148 22 22 LYS HD2 H 1.561 0.030 1 149 22 22 LYS HD3 H 1.561 0.030 1 150 22 22 LYS HE2 H 2.923 0.030 1 151 22 22 LYS HE3 H 2.923 0.030 1 152 22 22 LYS HG2 H 1.403 0.030 2 153 22 22 LYS HG3 H 1.320 0.030 2 154 22 22 LYS C C 176.269 0.300 1 155 22 22 LYS CA C 55.991 0.300 1 156 22 22 LYS CB C 32.930 0.300 1 157 22 22 LYS CD C 28.970 0.300 1 158 22 22 LYS CE C 42.155 0.300 1 159 22 22 LYS CG C 24.869 0.300 1 160 22 22 LYS N N 122.357 0.300 1 161 23 23 LEU H H 8.177 0.030 1 162 23 23 LEU HA H 4.599 0.030 1 163 23 23 LEU HB2 H 1.647 0.030 2 164 23 23 LEU HB3 H 1.571 0.030 2 165 23 23 LEU HD1 H 0.902 0.030 1 166 23 23 LEU HD2 H 0.942 0.030 1 167 23 23 LEU HG H 1.688 0.030 1 168 23 23 LEU C C 175.112 0.300 1 169 23 23 LEU CA C 53.066 0.300 1 170 23 23 LEU CB C 41.800 0.300 1 171 23 23 LEU CD1 C 25.286 0.300 2 172 23 23 LEU CD2 C 23.872 0.300 2 173 23 23 LEU CG C 27.016 0.300 1 174 23 23 LEU N N 124.278 0.300 1 175 24 24 PRO HA H 4.417 0.030 1 176 24 24 PRO HB2 H 2.257 0.030 2 177 24 24 PRO HB3 H 1.839 0.030 2 178 24 24 PRO HD2 H 3.832 0.030 2 179 24 24 PRO HD3 H 3.648 0.030 2 180 24 24 PRO HG2 H 2.031 0.030 1 181 24 24 PRO HG3 H 2.031 0.030 1 182 24 24 PRO C C 176.554 0.300 1 183 24 24 PRO CA C 62.940 0.300 1 184 24 24 PRO CB C 31.951 0.300 1 185 24 24 PRO CD C 50.540 0.300 1 186 24 24 PRO CG C 27.446 0.300 1 187 25 25 MET H H 8.509 0.030 1 188 25 25 MET HA H 3.810 0.030 1 189 25 25 MET HB2 H 1.820 0.030 2 190 25 25 MET HB3 H 1.752 0.030 2 191 25 25 MET HE H 2.121 0.030 1 192 25 25 MET HG2 H 2.157 0.030 1 193 25 25 MET HG3 H 2.157 0.030 1 194 25 25 MET C C 176.305 0.300 1 195 25 25 MET CA C 55.706 0.300 1 196 25 25 MET CB C 33.654 0.300 1 197 25 25 MET CE C 16.976 0.300 1 198 25 25 MET CG C 31.955 0.300 1 199 25 25 MET N N 120.692 0.300 1 200 26 26 THR H H 7.160 0.030 1 201 26 26 THR HA H 4.161 0.030 1 202 26 26 THR HB H 4.319 0.030 1 203 26 26 THR HG2 H 1.161 0.030 1 204 26 26 THR C C 173.631 0.300 1 205 26 26 THR CA C 61.892 0.300 1 206 26 26 THR CB C 69.109 0.300 1 207 26 26 THR CG2 C 21.973 0.300 1 208 26 26 THR N N 113.851 0.300 1 209 27 27 LEU H H 6.647 0.030 1 210 27 27 LEU HA H 4.717 0.030 1 211 27 27 LEU HB2 H 1.571 0.030 2 212 27 27 LEU HB3 H 1.423 0.030 2 213 27 27 LEU HD1 H 0.929 0.030 1 214 27 27 LEU HD2 H 0.963 0.030 1 215 27 27 LEU HG H 1.781 0.030 1 216 27 27 LEU C C 176.279 0.300 1 217 27 27 LEU CA C 53.234 0.300 1 218 27 27 LEU CB C 46.600 0.300 1 219 27 27 LEU CD1 C 26.543 0.300 2 220 27 27 LEU CD2 C 23.470 0.300 2 221 27 27 LEU CG C 27.064 0.300 1 222 27 27 LEU N N 119.913 0.300 1 223 28 28 SER H H 8.789 0.030 1 224 28 28 SER HA H 4.371 0.030 1 225 28 28 SER HB2 H 4.366 0.030 2 226 28 28 SER HB3 H 4.061 0.030 2 227 28 28 SER C C 174.492 0.300 1 228 28 28 SER CA C 57.397 0.300 1 229 28 28 SER CB C 64.887 0.300 1 230 28 28 SER N N 118.797 0.300 1 231 29 29 ARG H H 8.912 0.030 1 232 29 29 ARG HA H 4.006 0.030 1 233 29 29 ARG HB2 H 1.971 0.030 2 234 29 29 ARG HB3 H 1.820 0.030 2 235 29 29 ARG HD2 H 3.289 0.030 2 236 29 29 ARG HD3 H 3.241 0.030 2 237 29 29 ARG HG2 H 1.574 0.030 2 238 29 29 ARG HG3 H 1.690 0.030 2 239 29 29 ARG C C 179.254 0.300 1 240 29 29 ARG CA C 59.258 0.300 1 241 29 29 ARG CB C 29.851 0.300 1 242 29 29 ARG CD C 43.555 0.300 1 243 29 29 ARG CG C 27.249 0.300 1 244 29 29 ARG N N 122.256 0.300 1 245 30 30 GLN H H 8.663 0.030 1 246 30 30 GLN HA H 4.039 0.030 1 247 30 30 GLN HB2 H 2.130 0.030 2 248 30 30 GLN HB3 H 2.074 0.030 2 249 30 30 GLN HE21 H 7.567 0.030 2 250 30 30 GLN HE22 H 6.927 0.030 2 251 30 30 GLN HG2 H 2.557 0.030 2 252 30 30 GLN HG3 H 2.491 0.030 2 253 30 30 GLN C C 178.064 0.300 1 254 30 30 GLN CA C 59.065 0.300 1 255 30 30 GLN CB C 28.093 0.300 1 256 30 30 GLN CG C 34.086 0.300 1 257 30 30 GLN N N 117.043 0.300 1 258 30 30 GLN NE2 N 112.080 0.300 1 259 31 31 GLU H H 7.920 0.030 1 260 31 31 GLU HA H 4.352 0.030 1 261 31 31 GLU HB2 H 2.189 0.030 2 262 31 31 GLU HB3 H 2.009 0.030 2 263 31 31 GLU HG2 H 2.518 0.030 2 264 31 31 GLU HG3 H 2.229 0.030 2 265 31 31 GLU C C 178.242 0.300 1 266 31 31 GLU CA C 58.375 0.300 1 267 31 31 GLU CB C 29.424 0.300 1 268 31 31 GLU CG C 35.928 0.300 1 269 31 31 GLU N N 123.261 0.300 1 270 32 32 VAL H H 8.149 0.030 1 271 32 32 VAL HA H 3.550 0.030 1 272 32 32 VAL HB H 2.229 0.030 1 273 32 32 VAL HG1 H 1.201 0.030 1 274 32 32 VAL HG2 H 0.923 0.030 1 275 32 32 VAL C C 177.682 0.300 1 276 32 32 VAL CA C 66.927 0.300 1 277 32 32 VAL CB C 31.998 0.300 1 278 32 32 VAL CG1 C 24.982 0.300 2 279 32 32 VAL CG2 C 21.282 0.300 2 280 32 32 VAL N N 120.862 0.300 1 281 33 33 ILE H H 7.670 0.030 1 282 33 33 ILE HA H 3.500 0.030 1 283 33 33 ILE HB H 1.860 0.030 1 284 33 33 ILE HD1 H 0.858 0.030 1 285 33 33 ILE HG12 H 1.832 0.030 2 286 33 33 ILE HG13 H 0.981 0.030 2 287 33 33 ILE HG2 H 0.952 0.030 1 288 33 33 ILE C C 176.900 0.300 1 289 33 33 ILE CA C 66.618 0.300 1 290 33 33 ILE CB C 38.522 0.300 1 291 33 33 ILE CD1 C 13.871 0.300 1 292 33 33 ILE CG1 C 30.458 0.300 1 293 33 33 ILE CG2 C 16.850 0.300 1 294 33 33 ILE N N 118.054 0.300 1 295 34 34 ARG H H 8.039 0.030 1 296 34 34 ARG HA H 3.879 0.030 1 297 34 34 ARG HB2 H 1.972 0.030 1 298 34 34 ARG HB3 H 1.972 0.030 1 299 34 34 ARG HD2 H 3.332 0.030 2 300 34 34 ARG HD3 H 3.091 0.030 2 301 34 34 ARG HG2 H 1.720 0.030 2 302 34 34 ARG HG3 H 1.525 0.030 2 303 34 34 ARG C C 179.312 0.300 1 304 34 34 ARG CA C 59.988 0.300 1 305 34 34 ARG CB C 30.406 0.300 1 306 34 34 ARG CD C 43.044 0.300 1 307 34 34 ARG CG C 27.243 0.300 1 308 34 34 ARG N N 119.054 0.300 1 309 35 35 ARG H H 8.314 0.030 1 310 35 35 ARG HA H 4.007 0.030 1 311 35 35 ARG HB2 H 1.892 0.030 1 312 35 35 ARG HB3 H 1.892 0.030 1 313 35 35 ARG HD2 H 3.367 0.030 2 314 35 35 ARG HD3 H 2.954 0.030 2 315 35 35 ARG HG2 H 1.996 0.030 2 316 35 35 ARG HG3 H 1.640 0.030 2 317 35 35 ARG CA C 59.837 0.300 1 318 35 35 ARG CB C 31.595 0.300 1 319 35 35 ARG CD C 44.325 0.300 1 320 35 35 ARG CG C 28.968 0.300 1 321 35 35 ARG N N 117.974 0.300 1 322 36 36 LEU H H 8.510 0.030 1 323 36 36 LEU HA H 3.823 0.030 1 324 36 36 LEU HB2 H 1.946 0.030 2 325 36 36 LEU HB3 H 1.246 0.030 2 326 36 36 LEU HD1 H 0.920 0.030 1 327 36 36 LEU HD2 H 0.664 0.030 1 328 36 36 LEU HG H 1.811 0.030 1 329 36 36 LEU C C 178.896 0.300 1 330 36 36 LEU CA C 58.670 0.300 1 331 36 36 LEU CB C 41.257 0.300 1 332 36 36 LEU CD1 C 26.293 0.300 2 333 36 36 LEU CD2 C 23.295 0.300 2 334 36 36 LEU CG C 27.135 0.300 1 335 36 36 LEU N N 120.709 0.300 1 336 37 37 ARG H H 8.607 0.030 1 337 37 37 ARG HA H 4.076 0.030 1 338 37 37 ARG HB2 H 1.930 0.030 1 339 37 37 ARG HB3 H 1.930 0.030 1 340 37 37 ARG HD2 H 3.216 0.030 1 341 37 37 ARG HD3 H 3.216 0.030 1 342 37 37 ARG HG2 H 1.775 0.030 2 343 37 37 ARG HG3 H 1.620 0.030 2 344 37 37 ARG C C 181.358 0.300 1 345 37 37 ARG CA C 59.697 0.300 1 346 37 37 ARG CB C 29.893 0.300 1 347 37 37 ARG CD C 43.599 0.300 1 348 37 37 ARG CG C 27.540 0.300 1 349 37 37 ARG N N 119.140 0.300 1 350 38 38 GLU H H 8.411 0.030 1 351 38 38 GLU HA H 4.073 0.030 1 352 38 38 GLU HB2 H 2.160 0.030 1 353 38 38 GLU HB3 H 2.160 0.030 1 354 38 38 GLU HG2 H 2.458 0.030 2 355 38 38 GLU HG3 H 2.359 0.030 2 356 38 38 GLU C C 178.079 0.300 1 357 38 38 GLU CA C 59.193 0.300 1 358 38 38 GLU CB C 29.639 0.300 1 359 38 38 GLU CG C 36.743 0.300 1 360 38 38 GLU N N 120.627 0.300 1 361 39 39 ARG H H 7.399 0.030 1 362 39 39 ARG HA H 4.350 0.030 1 363 39 39 ARG HB2 H 2.218 0.030 2 364 39 39 ARG HB3 H 1.754 0.030 2 365 39 39 ARG HD2 H 3.132 0.030 2 366 39 39 ARG HD3 H 2.919 0.030 2 367 39 39 ARG HE H 7.847 0.030 1 368 39 39 ARG HG2 H 1.791 0.030 1 369 39 39 ARG HG3 H 1.791 0.030 1 370 39 39 ARG C C 176.358 0.300 1 371 39 39 ARG CA C 55.973 0.300 1 372 39 39 ARG CB C 30.996 0.300 1 373 39 39 ARG CD C 43.121 0.300 1 374 39 39 ARG CG C 28.679 0.300 1 375 39 39 ARG N N 116.014 0.300 1 376 39 39 ARG NE N 84.663 0.300 1 377 40 40 GLY H H 8.050 0.030 1 378 40 40 GLY HA2 H 4.050 0.030 2 379 40 40 GLY HA3 H 3.849 0.030 2 380 40 40 GLY C C 174.679 0.300 1 381 40 40 GLY CA C 46.052 0.300 1 382 40 40 GLY N N 109.270 0.300 1 383 41 41 GLU H H 7.871 0.030 1 384 41 41 GLU HA H 4.531 0.030 1 385 41 41 GLU HB2 H 1.851 0.030 2 386 41 41 GLU HB3 H 1.519 0.030 2 387 41 41 GLU HG2 H 2.089 0.030 1 388 41 41 GLU HG3 H 2.089 0.030 1 389 41 41 GLU C C 173.671 0.300 1 390 41 41 GLU CA C 53.088 0.300 1 391 41 41 GLU CB C 30.950 0.300 1 392 41 41 GLU CG C 34.908 0.300 1 393 41 41 GLU N N 119.635 0.300 1 394 42 42 PRO HA H 4.382 0.030 1 395 42 42 PRO HB2 H 2.271 0.030 2 396 42 42 PRO HB3 H 1.553 0.030 2 397 42 42 PRO HD2 H 3.739 0.030 1 398 42 42 PRO HD3 H 3.739 0.030 1 399 42 42 PRO HG2 H 2.019 0.030 1 400 42 42 PRO HG3 H 2.019 0.030 1 401 42 42 PRO CA C 62.350 0.300 1 402 42 42 PRO CB C 32.040 0.300 1 403 42 42 PRO CD C 50.169 0.300 1 404 42 42 PRO CG C 28.055 0.300 1 405 43 43 ILE H H 8.438 0.030 1 406 43 43 ILE HA H 3.995 0.030 1 407 43 43 ILE HB H 1.981 0.030 1 408 43 43 ILE HD1 H 0.888 0.030 1 409 43 43 ILE HG12 H 1.450 0.030 2 410 43 43 ILE HG13 H 1.359 0.030 2 411 43 43 ILE HG2 H 1.059 0.030 1 412 43 43 ILE C C 175.986 0.300 1 413 43 43 ILE CA C 63.712 0.300 1 414 43 43 ILE CB C 37.623 0.300 1 415 43 43 ILE CD1 C 13.650 0.300 1 416 43 43 ILE CG1 C 26.624 0.300 1 417 43 43 ILE CG2 C 19.380 0.300 1 418 43 43 ILE N N 120.553 0.300 1 419 44 44 ARG H H 7.430 0.030 1 420 44 44 ARG HA H 4.478 0.030 1 421 44 44 ARG HB2 H 1.714 0.030 1 422 44 44 ARG HB3 H 1.714 0.030 1 423 44 44 ARG HD2 H 3.534 0.030 2 424 44 44 ARG HD3 H 3.143 0.030 2 425 44 44 ARG HG2 H 1.660 0.030 1 426 44 44 ARG HG3 H 1.660 0.030 1 427 44 44 ARG C C 175.407 0.300 1 428 44 44 ARG CA C 54.520 0.300 1 429 44 44 ARG CB C 34.420 0.300 1 430 44 44 ARG CD C 42.962 0.300 1 431 44 44 ARG CG C 27.272 0.300 1 432 44 44 ARG N N 117.542 0.300 1 433 45 45 LEU H H 8.810 0.030 1 434 45 45 LEU HA H 4.562 0.030 1 435 45 45 LEU HB2 H 1.576 0.030 2 436 45 45 LEU HB3 H 1.459 0.030 2 437 45 45 LEU HD1 H 0.825 0.030 1 438 45 45 LEU HD2 H 0.835 0.030 1 439 45 45 LEU HG H 1.429 0.030 1 440 45 45 LEU C C 177.078 0.300 1 441 45 45 LEU CA C 53.083 0.300 1 442 45 45 LEU CB C 42.533 0.300 1 443 45 45 LEU CD1 C 25.711 0.300 2 444 45 45 LEU CD2 C 22.336 0.300 2 445 45 45 LEU CG C 27.259 0.300 1 446 45 45 LEU N N 126.491 0.300 1 447 46 46 PHE H H 8.623 0.030 1 448 46 46 PHE HA H 4.211 0.030 1 449 46 46 PHE HB2 H 3.181 0.030 2 450 46 46 PHE HB3 H 2.931 0.030 2 451 46 46 PHE HD1 H 7.256 0.030 1 452 46 46 PHE HD2 H 7.256 0.030 1 453 46 46 PHE HE1 H 7.382 0.030 1 454 46 46 PHE HE2 H 7.382 0.030 1 455 46 46 PHE HZ H 7.338 0.030 1 456 46 46 PHE C C 177.389 0.300 1 457 46 46 PHE CA C 60.539 0.300 1 458 46 46 PHE CB C 38.611 0.300 1 459 46 46 PHE CD1 C 131.763 0.300 1 460 46 46 PHE CD2 C 131.763 0.300 1 461 46 46 PHE CE1 C 131.597 0.300 1 462 46 46 PHE CE2 C 131.597 0.300 1 463 46 46 PHE CZ C 130.054 0.300 1 464 46 46 PHE N N 122.089 0.300 1 465 47 47 GLY H H 8.432 0.030 1 466 47 47 GLY HA2 H 3.879 0.030 2 467 47 47 GLY HA3 H 3.341 0.030 2 468 47 47 GLY C C 174.528 0.300 1 469 47 47 GLY CA C 45.177 0.300 1 470 47 47 GLY N N 115.790 0.300 1 471 48 48 GLU H H 7.801 0.030 1 472 48 48 GLU HA H 4.479 0.030 1 473 48 48 GLU HB2 H 2.190 0.030 2 474 48 48 GLU HB3 H 2.115 0.030 2 475 48 48 GLU HG2 H 2.349 0.030 1 476 48 48 GLU HG3 H 2.349 0.030 1 477 48 48 GLU C C 178.597 0.300 1 478 48 48 GLU CA C 57.351 0.300 1 479 48 48 GLU CB C 32.446 0.300 1 480 48 48 GLU CG C 38.096 0.300 1 481 48 48 GLU N N 120.543 0.300 1 482 49 49 THR H H 9.107 0.030 1 483 49 49 THR HA H 4.599 0.030 1 484 49 49 THR HB H 4.812 0.030 1 485 49 49 THR HG2 H 1.419 0.030 1 486 49 49 THR C C 175.683 0.300 1 487 49 49 THR CA C 60.708 0.300 1 488 49 49 THR CB C 71.949 0.300 1 489 49 49 THR CG2 C 21.797 0.300 1 490 49 49 THR N N 115.858 0.300 1 491 50 50 ASP H H 8.998 0.030 1 492 50 50 ASP HA H 4.301 0.030 1 493 50 50 ASP HB2 H 2.771 0.030 1 494 50 50 ASP HB3 H 2.771 0.030 1 495 50 50 ASP C C 179.476 0.300 1 496 50 50 ASP CA C 57.916 0.300 1 497 50 50 ASP CB C 39.499 0.300 1 498 50 50 ASP N N 120.770 0.300 1 499 51 51 TYR H H 8.620 0.030 1 500 51 51 TYR HA H 4.472 0.030 1 501 51 51 TYR HB2 H 3.231 0.030 2 502 51 51 TYR HB3 H 2.899 0.030 2 503 51 51 TYR HD1 H 7.189 0.030 1 504 51 51 TYR HD2 H 7.189 0.030 1 505 51 51 TYR HE1 H 6.933 0.030 1 506 51 51 TYR HE2 H 6.933 0.030 1 507 51 51 TYR C C 177.113 0.300 1 508 51 51 TYR CA C 61.745 0.300 1 509 51 51 TYR CB C 38.533 0.300 1 510 51 51 TYR CD1 C 133.627 0.300 1 511 51 51 TYR CD2 C 133.627 0.300 1 512 51 51 TYR CE1 C 118.191 0.300 1 513 51 51 TYR CE2 C 118.191 0.300 1 514 51 51 TYR N N 121.891 0.300 1 515 52 52 ASP H H 7.862 0.030 1 516 52 52 ASP HA H 4.333 0.030 1 517 52 52 ASP HB2 H 2.941 0.030 2 518 52 52 ASP HB3 H 2.849 0.030 2 519 52 52 ASP C C 179.077 0.300 1 520 52 52 ASP CA C 57.671 0.300 1 521 52 52 ASP CB C 40.857 0.300 1 522 52 52 ASP N N 120.035 0.300 1 523 53 53 ALA H H 8.090 0.030 1 524 53 53 ALA HA H 4.171 0.030 1 525 53 53 ALA HB H 1.391 0.030 1 526 53 53 ALA C C 178.508 0.300 1 527 53 53 ALA CA C 55.701 0.300 1 528 53 53 ALA CB C 17.940 0.300 1 529 53 53 ALA N N 123.751 0.300 1 530 54 54 PHE H H 7.781 0.030 1 531 54 54 PHE HA H 4.141 0.030 1 532 54 54 PHE HB2 H 3.351 0.030 2 533 54 54 PHE HB3 H 3.287 0.030 2 534 54 54 PHE HD1 H 7.028 0.030 1 535 54 54 PHE HD2 H 7.028 0.030 1 536 54 54 PHE HE1 H 7.300 0.030 1 537 54 54 PHE HE2 H 7.300 0.030 1 538 54 54 PHE HZ H 7.509 0.030 1 539 54 54 PHE C C 176.438 0.300 1 540 54 54 PHE CA C 60.964 0.300 1 541 54 54 PHE CB C 38.434 0.300 1 542 54 54 PHE CD1 C 132.240 0.300 1 543 54 54 PHE CD2 C 132.240 0.300 1 544 54 54 PHE CE1 C 131.430 0.300 1 545 54 54 PHE CE2 C 131.430 0.300 1 546 54 54 PHE CZ C 130.271 0.300 1 547 54 54 PHE N N 117.935 0.300 1 548 55 55 GLN H H 8.313 0.030 1 549 55 55 GLN HA H 3.581 0.030 1 550 55 55 GLN HB2 H 1.971 0.030 1 551 55 55 GLN HB3 H 1.971 0.030 1 552 55 55 GLN HE21 H 6.547 0.030 2 553 55 55 GLN HE22 H 6.972 0.030 2 554 55 55 GLN HG2 H 2.281 0.030 2 555 55 55 GLN HG3 H 1.959 0.030 2 556 55 55 GLN C C 178.215 0.300 1 557 55 55 GLN CA C 58.623 0.300 1 558 55 55 GLN CB C 28.536 0.300 1 559 55 55 GLN CG C 33.970 0.300 1 560 55 55 GLN N N 118.299 0.300 1 561 55 55 GLN NE2 N 111.398 0.300 1 562 56 56 ARG H H 8.150 0.030 1 563 56 56 ARG HA H 3.980 0.030 1 564 56 56 ARG HB2 H 2.190 0.030 2 565 56 56 ARG HB3 H 1.681 0.030 2 566 56 56 ARG HD2 H 3.412 0.030 2 567 56 56 ARG HD3 H 2.969 0.030 2 568 56 56 ARG HE H 10.351 0.030 1 569 56 56 ARG HG2 H 1.501 0.030 2 570 56 56 ARG HG3 H 1.380 0.030 2 571 56 56 ARG C C 178.375 0.300 1 572 56 56 ARG CA C 59.860 0.300 1 573 56 56 ARG CB C 30.564 0.300 1 574 56 56 ARG CD C 43.292 0.300 1 575 56 56 ARG CG C 26.880 0.300 1 576 56 56 ARG N N 122.187 0.300 1 577 57 57 LEU H H 8.067 0.030 1 578 57 57 LEU HA H 3.949 0.030 1 579 57 57 LEU HB2 H 2.013 0.030 2 580 57 57 LEU HB3 H 1.401 0.030 2 581 57 57 LEU HD1 H 1.020 0.030 1 582 57 57 LEU HD2 H 0.788 0.030 1 583 57 57 LEU HG H 1.405 0.030 1 584 57 57 LEU C C 178.011 0.300 1 585 57 57 LEU CA C 57.736 0.300 1 586 57 57 LEU CB C 40.441 0.300 1 587 57 57 LEU CD1 C 28.001 0.300 2 588 57 57 LEU CD2 C 21.804 0.300 2 589 57 57 LEU CG C 27.687 0.300 1 590 57 57 LEU N N 119.158 0.300 1 591 58 58 ARG H H 8.250 0.030 1 592 58 58 ARG HA H 3.789 0.030 1 593 58 58 ARG HB2 H 1.559 0.030 2 594 58 58 ARG HB3 H 1.441 0.030 2 595 58 58 ARG HD2 H 3.073 0.030 2 596 58 58 ARG HD3 H 2.889 0.030 2 597 58 58 ARG HG2 H 1.089 0.030 1 598 58 58 ARG HG3 H 1.089 0.030 1 599 58 58 ARG C C 178.197 0.300 1 600 58 58 ARG CA C 58.269 0.300 1 601 58 58 ARG CB C 28.512 0.300 1 602 58 58 ARG CD C 41.996 0.300 1 603 58 58 ARG CG C 26.612 0.300 1 604 58 58 ARG N N 118.108 0.300 1 605 59 59 LYS H H 7.669 0.030 1 606 59 59 LYS HA H 3.911 0.030 1 607 59 59 LYS HB2 H 1.893 0.030 2 608 59 59 LYS HB3 H 1.857 0.030 2 609 59 59 LYS HD2 H 1.644 0.030 1 610 59 59 LYS HD3 H 1.644 0.030 1 611 59 59 LYS HE2 H 2.917 0.030 1 612 59 59 LYS HE3 H 2.917 0.030 1 613 59 59 LYS HG2 H 1.570 0.030 2 614 59 59 LYS HG3 H 1.380 0.030 2 615 59 59 LYS C C 178.712 0.300 1 616 59 59 LYS CA C 59.507 0.300 1 617 59 59 LYS CB C 32.353 0.300 1 618 59 59 LYS CD C 29.353 0.300 1 619 59 59 LYS CE C 42.151 0.300 1 620 59 59 LYS CG C 25.538 0.300 1 621 59 59 LYS N N 117.181 0.300 1 622 60 60 ILE H H 7.530 0.030 1 623 60 60 ILE HA H 3.791 0.030 1 624 60 60 ILE HB H 2.034 0.030 1 625 60 60 ILE HD1 H 0.751 0.030 1 626 60 60 ILE HG12 H 1.691 0.030 2 627 60 60 ILE HG13 H 1.134 0.030 2 628 60 60 ILE HG2 H 0.857 0.030 1 629 60 60 ILE C C 178.322 0.300 1 630 60 60 ILE CA C 64.456 0.300 1 631 60 60 ILE CB C 38.496 0.300 1 632 60 60 ILE CD1 C 14.057 0.300 1 633 60 60 ILE CG1 C 28.536 0.300 1 634 60 60 ILE CG2 C 17.565 0.300 1 635 60 60 ILE N N 118.851 0.300 1 636 61 61 GLU H H 8.371 0.030 1 637 61 61 GLU HA H 3.854 0.030 1 638 61 61 GLU HB2 H 2.090 0.030 2 639 61 61 GLU HB3 H 1.869 0.030 2 640 61 61 GLU HG2 H 2.461 0.030 2 641 61 61 GLU HG3 H 1.975 0.030 2 642 61 61 GLU C C 178.481 0.300 1 643 61 61 GLU CA C 59.175 0.300 1 644 61 61 GLU CB C 30.223 0.300 1 645 61 61 GLU CG C 37.277 0.300 1 646 61 61 GLU N N 119.547 0.300 1 647 62 62 ILE H H 7.842 0.030 1 648 62 62 ILE HA H 3.921 0.030 1 649 62 62 ILE HB H 1.879 0.030 1 650 62 62 ILE HD1 H 0.808 0.030 1 651 62 62 ILE HG12 H 1.598 0.030 2 652 62 62 ILE HG13 H 1.191 0.030 2 653 62 62 ILE HG2 H 0.899 0.030 1 654 62 62 ILE C C 177.211 0.300 1 655 62 62 ILE CA C 63.172 0.300 1 656 62 62 ILE CB C 38.434 0.300 1 657 62 62 ILE CD1 C 13.448 0.300 1 658 62 62 ILE CG1 C 28.521 0.300 1 659 62 62 ILE CG2 C 17.385 0.300 1 660 62 62 ILE N N 117.542 0.300 1 661 63 63 LEU H H 7.600 0.030 1 662 63 63 LEU HA H 4.290 0.030 1 663 63 63 LEU HB2 H 1.807 0.030 2 664 63 63 LEU HB3 H 1.621 0.030 2 665 63 63 LEU HD1 H 0.926 0.030 1 666 63 63 LEU HD2 H 0.888 0.030 1 667 63 63 LEU HG H 1.750 0.030 1 668 63 63 LEU C C 177.806 0.300 1 669 63 63 LEU CA C 56.150 0.300 1 670 63 63 LEU CB C 42.638 0.300 1 671 63 63 LEU CD1 C 25.086 0.300 2 672 63 63 LEU CD2 C 23.317 0.300 2 673 63 63 LEU CG C 26.854 0.300 1 674 63 63 LEU N N 121.126 0.300 1 675 64 64 THR H H 7.953 0.030 1 676 64 64 THR HA H 4.634 0.030 1 677 64 64 THR HB H 4.155 0.030 1 678 64 64 THR HG2 H 1.237 0.030 1 679 64 64 THR C C 172.301 0.300 1 680 64 64 THR CA C 59.328 0.300 1 681 64 64 THR CB C 69.795 0.300 1 682 64 64 THR CG2 C 21.715 0.300 1 683 64 64 THR N N 114.459 0.300 1 684 65 65 PRO HA H 4.459 0.030 1 685 65 65 PRO HB2 H 2.339 0.030 2 686 65 65 PRO HB3 H 1.922 0.030 2 687 65 65 PRO HD2 H 3.691 0.030 1 688 65 65 PRO HD3 H 3.691 0.030 1 689 65 65 PRO HG2 H 2.028 0.030 1 690 65 65 PRO HG3 H 2.028 0.030 1 691 65 65 PRO C C 177.263 0.300 1 692 65 65 PRO CA C 63.800 0.300 1 693 65 65 PRO CB C 32.244 0.300 1 694 65 65 PRO CD C 50.793 0.300 1 695 65 65 PRO CG C 27.376 0.300 1 696 66 66 GLU H H 8.450 0.030 1 697 66 66 GLU HA H 4.309 0.030 1 698 66 66 GLU HB2 H 1.989 0.030 1 699 66 66 GLU HB3 H 1.989 0.030 1 700 66 66 GLU HG2 H 2.302 0.030 1 701 66 66 GLU HG3 H 2.302 0.030 1 702 66 66 GLU C C 176.429 0.300 1 703 66 66 GLU CA C 56.418 0.300 1 704 66 66 GLU CB C 30.445 0.300 1 705 66 66 GLU CG C 36.431 0.300 1 706 66 66 GLU N N 120.040 0.300 1 707 67 67 VAL H H 8.201 0.030 1 708 67 67 VAL HA H 4.039 0.030 1 709 67 67 VAL HB H 2.049 0.030 1 710 67 67 VAL HG1 H 0.923 0.030 1 711 67 67 VAL HG2 H 0.963 0.030 1 712 67 67 VAL C C 175.816 0.300 1 713 67 67 VAL CA C 62.598 0.300 1 714 67 67 VAL CB C 32.752 0.300 1 715 67 67 VAL CG1 C 21.027 0.300 2 716 67 67 VAL CG2 C 21.027 0.300 2 717 67 67 VAL N N 121.513 0.300 1 718 68 68 ASN H H 8.543 0.030 1 719 68 68 ASN HA H 4.732 0.030 1 720 68 68 ASN HB2 H 2.849 0.030 2 721 68 68 ASN HB3 H 2.759 0.030 2 722 68 68 ASN HD21 H 7.634 0.030 2 723 68 68 ASN HD22 H 6.937 0.030 2 724 68 68 ASN C C 175.177 0.300 1 725 68 68 ASN CA C 53.323 0.300 1 726 68 68 ASN CB C 38.884 0.300 1 727 68 68 ASN N N 122.382 0.300 1 728 68 68 ASN ND2 N 113.040 0.300 1 729 69 69 LYS H H 8.397 0.030 1 730 69 69 LYS HA H 4.307 0.030 1 731 69 69 LYS HB2 H 1.893 0.030 2 732 69 69 LYS HB3 H 1.767 0.030 2 733 69 69 LYS HD2 H 1.684 0.030 1 734 69 69 LYS HD3 H 1.684 0.030 1 735 69 69 LYS HE2 H 2.995 0.030 1 736 69 69 LYS HE3 H 2.995 0.030 1 737 69 69 LYS HG2 H 1.468 0.030 2 738 69 69 LYS HG3 H 1.419 0.030 2 739 69 69 LYS C C 177.122 0.300 1 740 69 69 LYS CA C 56.636 0.300 1 741 69 69 LYS CB C 32.886 0.300 1 742 69 69 LYS CD C 29.069 0.300 1 743 69 69 LYS CE C 42.155 0.300 1 744 69 69 LYS CG C 24.738 0.300 1 745 69 69 LYS N N 122.583 0.300 1 746 70 70 GLY H H 8.439 0.030 1 747 70 70 GLY HA2 H 4.051 0.030 1 748 70 70 GLY HA3 H 4.051 0.030 1 749 70 70 GLY C C 174.173 0.300 1 750 70 70 GLY CA C 45.284 0.300 1 751 70 70 GLY N N 109.923 0.300 1 752 71 71 SER H H 8.254 0.030 1 753 71 71 SER HA H 4.550 0.030 1 754 71 71 SER HB2 H 3.917 0.030 1 755 71 71 SER HB3 H 3.917 0.030 1 756 71 71 SER C C 174.697 0.300 1 757 71 71 SER CA C 58.358 0.300 1 758 71 71 SER CB C 64.221 0.300 1 759 71 71 SER N N 115.507 0.300 1 760 72 72 GLY H H 8.330 0.030 1 761 72 72 GLY HA2 H 4.148 0.030 1 762 72 72 GLY HA3 H 4.148 0.030 1 763 72 72 GLY C C 171.945 0.300 1 764 72 72 GLY CA C 44.680 0.300 1 765 72 72 GLY N N 110.811 0.300 1 766 73 73 PRO HA H 4.488 0.030 1 767 73 73 PRO HB2 H 1.986 0.030 2 768 73 73 PRO HB3 H 1.908 0.030 2 769 73 73 PRO HD2 H 3.648 0.030 1 770 73 73 PRO HD3 H 3.648 0.030 1 771 73 73 PRO HG2 H 2.026 0.030 1 772 73 73 PRO HG3 H 2.026 0.030 1 773 73 73 PRO C C 177.423 0.300 1 774 73 73 PRO CA C 63.317 0.300 1 775 73 73 PRO CB C 32.244 0.300 1 776 73 73 PRO CD C 49.856 0.300 1 777 73 73 PRO CG C 27.272 0.300 1 778 74 74 SER H H 8.528 0.030 1 779 74 74 SER HA H 4.540 0.030 1 780 74 74 SER HB2 H 3.936 0.030 1 781 74 74 SER HB3 H 3.936 0.030 1 782 74 74 SER C C 174.652 0.300 1 783 74 74 SER CA C 58.446 0.300 1 784 74 74 SER CB C 63.999 0.300 1 785 74 74 SER N N 116.408 0.300 1 786 75 75 SER H H 8.326 0.030 1 787 75 75 SER C C 173.867 0.300 1 788 75 75 SER CA C 58.400 0.300 1 789 75 75 SER CB C 64.087 0.300 1 790 75 75 SER N N 117.860 0.300 1 stop_ save_