data_11300 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Myb_DNA-binding domain of human Cell division cycle 5-like protein ; _BMRB_accession_number 11300 _BMRB_flat_file_name bmr11300.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yoneyama M. . . 2 Tochio N. . . 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" 390 "13C chemical shifts" 273 "15N chemical shifts" 66 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 Myb_DNA-binding domain of human Cell division cycle 5-like protein ; _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 Yoneyama M. . . 2 Tochio N. . . 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 'Cell division cycle 5-like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Myb_DNA-binding 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 'Myb_DNA-binding domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GSSGSSGKGGVWRNTEDEIL KAAVMKYGKNQWSRIASLLH RKSAKQCKARWYEWLDPSIK KTEWSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 GLY 10 GLY 11 VAL 12 TRP 13 ARG 14 ASN 15 THR 16 GLU 17 ASP 18 GLU 19 ILE 20 LEU 21 LYS 22 ALA 23 ALA 24 VAL 25 MET 26 LYS 27 TYR 28 GLY 29 LYS 30 ASN 31 GLN 32 TRP 33 SER 34 ARG 35 ILE 36 ALA 37 SER 38 LEU 39 LEU 40 HIS 41 ARG 42 LYS 43 SER 44 ALA 45 LYS 46 GLN 47 CYS 48 LYS 49 ALA 50 ARG 51 TRP 52 TYR 53 GLU 54 TRP 55 LEU 56 ASP 57 PRO 58 SER 59 ILE 60 LYS 61 LYS 62 THR 63 GLU 64 TRP 65 SER 66 GLY 67 PRO 68 SER 69 SER 70 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2DIM "Solution Structure Of The Myb_dna-Binding Domain Of Human Cell Division Cycle 5-Like Protein" 100.00 70 100.00 100.00 3.29e-41 DBJ BAA20885 "Cdc5 [Homo sapiens]" 81.43 155 98.25 100.00 2.64e-32 DBJ BAA24862 "KIAA0432 [Homo sapiens]" 82.86 827 100.00 100.00 1.02e-31 DBJ BAD32228 "mKIAA0432 protein [Mus musculus]" 82.86 832 100.00 100.00 5.76e-32 DBJ BAE27510 "unnamed protein product [Mus musculus]" 82.86 802 100.00 100.00 5.48e-32 DBJ BAE29661 "unnamed protein product [Mus musculus]" 82.86 802 100.00 100.00 5.48e-32 EMBL CAG00328 "unnamed protein product [Tetraodon nigroviridis]" 82.86 825 98.28 100.00 2.42e-31 EMBL CAL49404 "CDC5 cell division cycle 5-like [Xenopus (Silurana) tropicalis]" 82.86 253 100.00 100.00 4.59e-33 EMBL CDQ56126 "unnamed protein product [Oncorhynchus mykiss]" 82.86 806 100.00 100.00 5.82e-32 EMBL CDQ59735 "unnamed protein product [Oncorhynchus mykiss]" 82.86 806 100.00 100.00 5.82e-32 GB AAB61210 "pombe Cdc5-related protein [Homo sapiens]" 82.86 802 100.00 100.00 6.35e-32 GB AAD05365 "Cdc5-like protein [Rattus norvegicus]" 82.86 802 100.00 100.00 5.81e-32 GB AAF47383 "cell division cycle 5 ortholog, isoform A [Drosophila melanogaster]" 82.86 814 100.00 100.00 4.17e-32 GB AAH01568 "CDC5 cell division cycle 5-like (S. pombe) [Homo sapiens]" 82.86 802 100.00 100.00 6.35e-32 GB AAH03893 "Cdc5l protein [Mus musculus]" 82.86 415 100.00 100.00 7.05e-33 REF NP_001008202 "cell division cycle 5-like protein [Xenopus (Silurana) tropicalis]" 82.86 804 100.00 100.00 6.77e-32 REF NP_001070010 "cell division cycle 5-like protein [Bos taurus]" 82.86 802 100.00 100.00 7.01e-32 REF NP_001096658 "cell division cycle 5-like [Xenopus laevis]" 82.86 804 100.00 100.00 7.05e-32 REF NP_001131045 "cell division cycle 5-like protein [Xenopus laevis]" 82.86 804 100.00 100.00 6.77e-32 REF NP_001163313 "cell division cycle 5 ortholog, isoform B [Drosophila melanogaster]" 82.86 814 100.00 100.00 4.17e-32 SP A7SD85 "RecName: Full=Cell division cycle 5-related protein; AltName: Full=Cdc5-like protein" 82.86 805 100.00 100.00 3.22e-32 SP O08837 "RecName: Full=Cell division cycle 5-like protein; AltName: Full=Cdc5-like protein; AltName: Full=Pombe Cdc5-related protein" 82.86 802 100.00 100.00 5.81e-32 SP Q2KJC1 "RecName: Full=Cell division cycle 5-like protein; Short=Cdc5-like protein" 82.86 802 100.00 100.00 7.01e-32 SP Q6A068 "RecName: Full=Cell division cycle 5-like protein; AltName: Full=Cdc5-like protein" 82.86 802 100.00 100.00 5.48e-32 SP Q99459 "RecName: Full=Cell division cycle 5-like protein; Short=Cdc5-like protein; AltName: Full=Pombe cdc5-related protein" 82.86 802 100.00 100.00 6.35e-32 TPG DAA16567 "TPA: cell division cycle 5-like protein [Bos taurus]" 82.86 802 100.00 100.00 7.01e-32 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 P050822-18 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.19mM Myb_DNA-binding domain U-15N, {13C;} 20mM d-Tris HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.19 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' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.9736 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 900 _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 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 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 'Myb_DNA-binding 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 3.955 0.030 1 2 7 7 GLY HA3 H 3.955 0.030 1 3 7 7 GLY CA C 45.438 0.300 1 4 8 8 LYS H H 8.273 0.030 1 5 8 8 LYS HA H 4.287 0.030 1 6 8 8 LYS HB2 H 1.849 0.030 2 7 8 8 LYS HB3 H 1.736 0.030 2 8 8 8 LYS HD2 H 1.640 0.030 1 9 8 8 LYS HD3 H 1.640 0.030 1 10 8 8 LYS HE2 H 3.004 0.030 1 11 8 8 LYS HE3 H 3.004 0.030 1 12 8 8 LYS HG2 H 1.433 0.030 2 13 8 8 LYS HG3 H 1.364 0.030 2 14 8 8 LYS CA C 56.641 0.300 1 15 8 8 LYS CB C 32.793 0.300 1 16 8 8 LYS CD C 29.082 0.300 1 17 8 8 LYS CE C 42.250 0.300 1 18 8 8 LYS CG C 24.890 0.300 1 19 8 8 LYS N N 120.842 0.300 1 20 9 9 GLY H H 8.579 0.030 1 21 9 9 GLY HA2 H 3.972 0.030 1 22 9 9 GLY HA3 H 3.972 0.030 1 23 9 9 GLY CA C 45.619 0.300 1 24 9 9 GLY N N 109.674 0.300 1 25 10 10 GLY H H 8.173 0.030 1 26 10 10 GLY HA2 H 3.928 0.030 1 27 10 10 GLY HA3 H 3.928 0.030 1 28 10 10 GLY CA C 44.972 0.300 1 29 10 10 GLY N N 108.646 0.300 1 30 11 11 VAL H H 8.043 0.030 1 31 11 11 VAL HA H 4.093 0.030 1 32 11 11 VAL HB H 1.971 0.030 1 33 11 11 VAL HG1 H 0.818 0.030 1 34 11 11 VAL HG2 H 0.877 0.030 1 35 11 11 VAL CA C 62.581 0.300 1 36 11 11 VAL CB C 32.746 0.300 1 37 11 11 VAL CG1 C 21.050 0.300 2 38 11 11 VAL CG2 C 20.747 0.300 2 39 11 11 VAL N N 120.074 0.300 1 40 12 12 TRP H H 8.645 0.030 1 41 12 12 TRP HA H 4.377 0.030 1 42 12 12 TRP HB2 H 3.154 0.030 2 43 12 12 TRP HB3 H 2.764 0.030 2 44 12 12 TRP HD1 H 7.056 0.030 1 45 12 12 TRP HE1 H 10.005 0.030 1 46 12 12 TRP HE3 H 7.627 0.030 1 47 12 12 TRP HH2 H 7.377 0.030 1 48 12 12 TRP HZ2 H 6.994 0.030 1 49 12 12 TRP HZ3 H 6.983 0.030 1 50 12 12 TRP CA C 57.035 0.300 1 51 12 12 TRP CB C 29.449 0.300 1 52 12 12 TRP CD1 C 125.957 0.300 1 53 12 12 TRP CE3 C 122.982 0.300 1 54 12 12 TRP CH2 C 124.757 0.300 1 55 12 12 TRP CZ2 C 113.212 0.300 1 56 12 12 TRP CZ3 C 121.842 0.300 1 57 12 12 TRP N N 127.244 0.300 1 58 12 12 TRP NE1 N 128.040 0.300 1 59 13 13 ARG H H 9.460 0.030 1 60 13 13 ARG HA H 4.628 0.030 1 61 13 13 ARG HB2 H 2.196 0.030 2 62 13 13 ARG HB3 H 1.709 0.030 2 63 13 13 ARG HD2 H 3.179 0.030 2 64 13 13 ARG HD3 H 3.136 0.030 2 65 13 13 ARG HG2 H 1.723 0.030 1 66 13 13 ARG HG3 H 1.723 0.030 1 67 13 13 ARG CA C 54.782 0.300 1 68 13 13 ARG CB C 31.861 0.300 1 69 13 13 ARG CD C 43.283 0.300 1 70 13 13 ARG CG C 27.679 0.300 1 71 13 13 ARG N N 124.881 0.300 1 72 14 14 ASN HA H 4.530 0.030 1 73 14 14 ASN HB2 H 2.998 0.030 1 74 14 14 ASN HB3 H 2.998 0.030 1 75 14 14 ASN HD21 H 7.853 0.030 2 76 14 14 ASN HD22 H 7.091 0.030 2 77 14 14 ASN CA C 57.635 0.300 1 78 14 14 ASN CB C 37.707 0.300 1 79 14 14 ASN ND2 N 113.639 0.300 1 80 15 15 THR HA H 4.050 0.030 1 81 15 15 THR HB H 4.185 0.030 1 82 15 15 THR HG2 H 1.357 0.030 1 83 15 15 THR C C 177.383 0.300 1 84 15 15 THR CA C 64.799 0.300 1 85 15 15 THR CB C 68.340 0.300 1 86 15 15 THR CG2 C 22.692 0.300 1 87 16 16 GLU H H 7.049 0.030 1 88 16 16 GLU HA H 4.143 0.030 1 89 16 16 GLU HB2 H 2.840 0.030 2 90 16 16 GLU HB3 H 2.368 0.030 2 91 16 16 GLU HG2 H 2.277 0.030 2 92 16 16 GLU HG3 H 2.132 0.030 2 93 16 16 GLU C C 178.245 0.300 1 94 16 16 GLU CA C 59.351 0.300 1 95 16 16 GLU CB C 31.345 0.300 1 96 16 16 GLU CG C 38.219 0.300 1 97 16 16 GLU N N 120.965 0.300 1 98 17 17 ASP H H 8.046 0.030 1 99 17 17 ASP HA H 4.713 0.030 1 100 17 17 ASP HB2 H 2.985 0.030 2 101 17 17 ASP HB3 H 2.601 0.030 2 102 17 17 ASP C C 179.180 0.300 1 103 17 17 ASP CA C 57.800 0.300 1 104 17 17 ASP CB C 40.668 0.300 1 105 17 17 ASP N N 120.713 0.300 1 106 18 18 GLU H H 8.065 0.030 1 107 18 18 GLU HA H 4.100 0.030 1 108 18 18 GLU HB2 H 2.175 0.030 1 109 18 18 GLU HB3 H 2.175 0.030 1 110 18 18 GLU HG2 H 2.469 0.030 2 111 18 18 GLU HG3 H 2.429 0.030 2 112 18 18 GLU C C 180.284 0.300 1 113 18 18 GLU CA C 59.551 0.300 1 114 18 18 GLU CB C 29.425 0.300 1 115 18 18 GLU CG C 36.200 0.300 1 116 18 18 GLU N N 117.870 0.300 1 117 19 19 ILE H H 7.879 0.030 1 118 19 19 ILE HA H 3.824 0.030 1 119 19 19 ILE HB H 2.125 0.030 1 120 19 19 ILE HD1 H 0.960 0.030 1 121 19 19 ILE HG12 H 1.955 0.030 2 122 19 19 ILE HG13 H 1.182 0.030 2 123 19 19 ILE HG2 H 0.967 0.030 1 124 19 19 ILE C C 178.621 0.300 1 125 19 19 ILE CA C 65.267 0.300 1 126 19 19 ILE CB C 38.580 0.300 1 127 19 19 ILE CD1 C 13.575 0.300 1 128 19 19 ILE CG1 C 29.653 0.300 1 129 19 19 ILE CG2 C 17.497 0.300 1 130 19 19 ILE N N 122.366 0.300 1 131 20 20 LEU H H 8.727 0.030 1 132 20 20 LEU HA H 4.122 0.030 1 133 20 20 LEU HB2 H 2.338 0.030 2 134 20 20 LEU HB3 H 1.916 0.030 2 135 20 20 LEU HD1 H 1.251 0.030 1 136 20 20 LEU HD2 H 1.043 0.030 1 137 20 20 LEU HG H 1.765 0.030 1 138 20 20 LEU C C 177.796 0.300 1 139 20 20 LEU CA C 59.072 0.300 1 140 20 20 LEU CB C 42.147 0.300 1 141 20 20 LEU CD1 C 25.906 0.300 2 142 20 20 LEU CD2 C 27.375 0.300 2 143 20 20 LEU CG C 27.899 0.300 1 144 20 20 LEU N N 121.782 0.300 1 145 21 21 LYS H H 8.832 0.030 1 146 21 21 LYS HA H 4.037 0.030 1 147 21 21 LYS HB2 H 2.057 0.030 1 148 21 21 LYS HB3 H 2.057 0.030 1 149 21 21 LYS HD2 H 1.782 0.030 1 150 21 21 LYS HD3 H 1.782 0.030 1 151 21 21 LYS HE2 H 2.926 0.030 1 152 21 21 LYS HE3 H 2.926 0.030 1 153 21 21 LYS HG2 H 1.833 0.030 2 154 21 21 LYS HG3 H 1.639 0.030 2 155 21 21 LYS C C 178.718 0.300 1 156 21 21 LYS CA C 60.686 0.300 1 157 21 21 LYS CB C 33.020 0.300 1 158 21 21 LYS CD C 29.859 0.300 1 159 21 21 LYS CE C 41.901 0.300 1 160 21 21 LYS CG C 25.882 0.300 1 161 21 21 LYS N N 117.886 0.300 1 162 22 22 ALA H H 7.785 0.030 1 163 22 22 ALA HA H 4.105 0.030 1 164 22 22 ALA HB H 1.517 0.030 1 165 22 22 ALA C C 180.418 0.300 1 166 22 22 ALA CA C 54.701 0.300 1 167 22 22 ALA CB C 18.036 0.300 1 168 22 22 ALA N N 119.657 0.300 1 169 23 23 ALA H H 8.539 0.030 1 170 23 23 ALA HA H 4.193 0.030 1 171 23 23 ALA HB H 1.638 0.030 1 172 23 23 ALA C C 179.422 0.300 1 173 23 23 ALA CA C 54.802 0.300 1 174 23 23 ALA CB C 19.728 0.300 1 175 23 23 ALA N N 122.204 0.300 1 176 24 24 VAL H H 8.554 0.030 1 177 24 24 VAL HA H 3.322 0.030 1 178 24 24 VAL HB H 1.327 0.030 1 179 24 24 VAL HG1 H -0.593 0.030 1 180 24 24 VAL HG2 H 0.440 0.030 1 181 24 24 VAL C C 179.908 0.300 1 182 24 24 VAL CA C 65.609 0.300 1 183 24 24 VAL CB C 31.296 0.300 1 184 24 24 VAL CG1 C 19.984 0.300 2 185 24 24 VAL CG2 C 23.913 0.300 2 186 24 24 VAL N N 121.020 0.300 1 187 25 25 MET H H 7.572 0.030 1 188 25 25 MET HA H 4.008 0.030 1 189 25 25 MET HB2 H 2.134 0.030 2 190 25 25 MET HB3 H 2.069 0.030 2 191 25 25 MET HE H 2.103 0.030 1 192 25 25 MET HG2 H 2.731 0.030 2 193 25 25 MET HG3 H 2.624 0.030 2 194 25 25 MET C C 177.250 0.300 1 195 25 25 MET CA C 58.216 0.300 1 196 25 25 MET CB C 31.804 0.300 1 197 25 25 MET CE C 17.051 0.300 1 198 25 25 MET CG C 32.039 0.300 1 199 25 25 MET N N 118.840 0.300 1 200 26 26 LYS H H 7.364 0.030 1 201 26 26 LYS HA H 3.923 0.030 1 202 26 26 LYS HB2 H 1.438 0.030 2 203 26 26 LYS HB3 H 1.214 0.030 2 204 26 26 LYS HD2 H 1.330 0.030 2 205 26 26 LYS HD3 H 1.224 0.030 2 206 26 26 LYS HE2 H 2.761 0.030 2 207 26 26 LYS HE3 H 2.695 0.030 2 208 26 26 LYS HG2 H 0.866 0.030 2 209 26 26 LYS HG3 H 0.285 0.030 2 210 26 26 LYS C C 177.881 0.300 1 211 26 26 LYS CA C 58.662 0.300 1 212 26 26 LYS CB C 33.777 0.300 1 213 26 26 LYS CD C 29.328 0.300 1 214 26 26 LYS CE C 42.056 0.300 1 215 26 26 LYS CG C 24.405 0.300 1 216 26 26 LYS N N 118.197 0.300 1 217 27 27 TYR H H 8.794 0.030 1 218 27 27 TYR HA H 4.478 0.030 1 219 27 27 TYR HB2 H 2.933 0.030 2 220 27 27 TYR HB3 H 2.500 0.030 2 221 27 27 TYR HD1 H 7.078 0.030 1 222 27 27 TYR HD2 H 7.078 0.030 1 223 27 27 TYR HE1 H 6.716 0.030 1 224 27 27 TYR HE2 H 6.716 0.030 1 225 27 27 TYR C C 176.691 0.300 1 226 27 27 TYR CA C 58.248 0.300 1 227 27 27 TYR CB C 38.802 0.300 1 228 27 27 TYR CD1 C 132.538 0.300 1 229 27 27 TYR CD2 C 132.538 0.300 1 230 27 27 TYR CE1 C 117.643 0.300 1 231 27 27 TYR CE2 C 117.643 0.300 1 232 27 27 TYR N N 115.016 0.300 1 233 28 28 GLY H H 8.015 0.030 1 234 28 28 GLY HA2 H 4.149 0.030 2 235 28 28 GLY HA3 H 3.691 0.030 2 236 28 28 GLY C C 173.220 0.300 1 237 28 28 GLY CA C 44.340 0.300 1 238 28 28 GLY N N 109.606 0.300 1 239 29 29 LYS H H 7.967 0.030 1 240 29 29 LYS HA H 3.533 0.030 1 241 29 29 LYS HB2 H 2.369 0.030 2 242 29 29 LYS HB3 H 1.520 0.030 2 243 29 29 LYS HD2 H 1.773 0.030 2 244 29 29 LYS HD3 H 1.683 0.030 2 245 29 29 LYS HE2 H 3.004 0.030 2 246 29 29 LYS HE3 H 2.863 0.030 2 247 29 29 LYS HG2 H 1.063 0.030 2 248 29 29 LYS HG3 H 0.961 0.030 2 249 29 29 LYS C C 175.040 0.300 1 250 29 29 LYS CA C 56.597 0.300 1 251 29 29 LYS CB C 32.292 0.300 1 252 29 29 LYS CD C 29.614 0.300 1 253 29 29 LYS CE C 42.320 0.300 1 254 29 29 LYS CG C 26.133 0.300 1 255 29 29 LYS N N 114.747 0.300 1 256 30 30 ASN H H 8.207 0.030 1 257 30 30 ASN HA H 4.994 0.030 1 258 30 30 ASN HB2 H 2.906 0.030 2 259 30 30 ASN HB3 H 2.556 0.030 2 260 30 30 ASN HD21 H 7.625 0.030 2 261 30 30 ASN HD22 H 6.938 0.030 2 262 30 30 ASN C C 175.295 0.300 1 263 30 30 ASN CA C 52.329 0.300 1 264 30 30 ASN CB C 39.667 0.300 1 265 30 30 ASN N N 117.355 0.300 1 266 30 30 ASN ND2 N 113.043 0.300 1 267 31 31 GLN H H 8.249 0.030 1 268 31 31 GLN HA H 4.670 0.030 1 269 31 31 GLN HB2 H 2.121 0.030 2 270 31 31 GLN HB3 H 1.131 0.030 2 271 31 31 GLN HE21 H 7.539 0.030 2 272 31 31 GLN HE22 H 6.940 0.030 2 273 31 31 GLN HG2 H 2.297 0.030 2 274 31 31 GLN HG3 H 2.085 0.030 2 275 31 31 GLN C C 176.254 0.300 1 276 31 31 GLN CA C 54.208 0.300 1 277 31 31 GLN CB C 29.052 0.300 1 278 31 31 GLN CG C 33.306 0.300 1 279 31 31 GLN N N 121.007 0.300 1 280 31 31 GLN NE2 N 112.998 0.300 1 281 32 32 TRP H H 7.225 0.030 1 282 32 32 TRP HA H 4.175 0.030 1 283 32 32 TRP HB2 H 3.609 0.030 2 284 32 32 TRP HB3 H 3.148 0.030 2 285 32 32 TRP HD1 H 7.634 0.030 1 286 32 32 TRP HE1 H 10.143 0.030 1 287 32 32 TRP HE3 H 7.283 0.030 1 288 32 32 TRP HH2 H 6.591 0.030 1 289 32 32 TRP HZ2 H 7.394 0.030 1 290 32 32 TRP HZ3 H 6.668 0.030 1 291 32 32 TRP C C 178.136 0.300 1 292 32 32 TRP CA C 60.019 0.300 1 293 32 32 TRP CB C 29.101 0.300 1 294 32 32 TRP CD1 C 128.745 0.300 1 295 32 32 TRP CE3 C 119.612 0.300 1 296 32 32 TRP CH2 C 124.908 0.300 1 297 32 32 TRP CZ2 C 114.884 0.300 1 298 32 32 TRP CZ3 C 121.882 0.300 1 299 32 32 TRP N N 119.236 0.300 1 300 32 32 TRP NE1 N 131.080 0.300 1 301 33 33 SER H H 8.648 0.030 1 302 33 33 SER HA H 4.275 0.030 1 303 33 33 SER HB2 H 3.941 0.030 2 304 33 33 SER HB3 H 3.918 0.030 2 305 33 33 SER C C 176.606 0.300 1 306 33 33 SER CA C 62.312 0.300 1 307 33 33 SER CB C 62.091 0.300 1 308 33 33 SER N N 113.857 0.300 1 309 34 34 ARG H H 7.656 0.030 1 310 34 34 ARG HA H 4.002 0.030 1 311 34 34 ARG HB2 H 1.689 0.030 2 312 34 34 ARG HB3 H 1.526 0.030 2 313 34 34 ARG HD2 H 2.582 0.030 2 314 34 34 ARG HD3 H 2.475 0.030 2 315 34 34 ARG HG2 H 1.255 0.030 2 316 34 34 ARG HG3 H 1.023 0.030 2 317 34 34 ARG C C 179.362 0.300 1 318 34 34 ARG CA C 58.590 0.300 1 319 34 34 ARG CB C 29.838 0.300 1 320 34 34 ARG CD C 43.128 0.300 1 321 34 34 ARG CG C 26.177 0.300 1 322 34 34 ARG N N 124.107 0.300 1 323 35 35 ILE H H 7.847 0.030 1 324 35 35 ILE HA H 3.442 0.030 1 325 35 35 ILE HB H 1.900 0.030 1 326 35 35 ILE HD1 H 0.449 0.030 1 327 35 35 ILE HG12 H 1.574 0.030 2 328 35 35 ILE HG13 H 0.814 0.030 2 329 35 35 ILE HG2 H 1.024 0.030 1 330 35 35 ILE C C 177.238 0.300 1 331 35 35 ILE CA C 65.967 0.300 1 332 35 35 ILE CB C 37.558 0.300 1 333 35 35 ILE CD1 C 13.699 0.300 1 334 35 35 ILE CG1 C 29.597 0.300 1 335 35 35 ILE CG2 C 17.041 0.300 1 336 35 35 ILE N N 120.220 0.300 1 337 36 36 ALA H H 8.440 0.030 1 338 36 36 ALA HA H 4.118 0.030 1 339 36 36 ALA HB H 1.522 0.030 1 340 36 36 ALA C C 180.102 0.300 1 341 36 36 ALA CA C 55.376 0.300 1 342 36 36 ALA CB C 17.750 0.300 1 343 36 36 ALA N N 120.151 0.300 1 344 37 37 SER H H 7.386 0.030 1 345 37 37 SER HA H 4.324 0.030 1 346 37 37 SER HB2 H 4.005 0.030 1 347 37 37 SER HB3 H 4.005 0.030 1 348 37 37 SER C C 175.271 0.300 1 349 37 37 SER CA C 61.072 0.300 1 350 37 37 SER CB C 63.275 0.300 1 351 37 37 SER N N 112.176 0.300 1 352 38 38 LEU H H 7.865 0.030 1 353 38 38 LEU HA H 4.317 0.030 1 354 38 38 LEU HB2 H 2.063 0.030 2 355 38 38 LEU HB3 H 1.600 0.030 2 356 38 38 LEU HD1 H 1.012 0.030 1 357 38 38 LEU HD2 H 0.897 0.030 1 358 38 38 LEU HG H 1.852 0.030 1 359 38 38 LEU C C 176.922 0.300 1 360 38 38 LEU CA C 55.382 0.300 1 361 38 38 LEU CB C 42.139 0.300 1 362 38 38 LEU CD1 C 26.231 0.300 2 363 38 38 LEU CD2 C 22.159 0.300 2 364 38 38 LEU CG C 26.612 0.300 1 365 38 38 LEU N N 120.825 0.300 1 366 39 39 LEU H H 7.519 0.030 1 367 39 39 LEU HA H 4.616 0.030 1 368 39 39 LEU HB2 H 1.725 0.030 2 369 39 39 LEU HB3 H 1.508 0.030 2 370 39 39 LEU HD1 H 1.200 0.030 1 371 39 39 LEU HD2 H 1.152 0.030 1 372 39 39 LEU HG H 1.687 0.030 1 373 39 39 LEU C C 175.744 0.300 1 374 39 39 LEU CA C 53.450 0.300 1 375 39 39 LEU CB C 44.218 0.300 1 376 39 39 LEU CD1 C 27.624 0.300 2 377 39 39 LEU CD2 C 25.655 0.300 2 378 39 39 LEU CG C 27.948 0.300 1 379 39 39 LEU N N 121.521 0.300 1 380 40 40 HIS H H 8.613 0.030 1 381 40 40 HIS HA H 4.541 0.030 1 382 40 40 HIS HB2 H 3.077 0.030 2 383 40 40 HIS HB3 H 3.008 0.030 2 384 40 40 HIS HD2 H 6.971 0.030 1 385 40 40 HIS HE1 H 7.755 0.030 1 386 40 40 HIS C C 175.805 0.300 1 387 40 40 HIS CA C 57.751 0.300 1 388 40 40 HIS CB C 30.809 0.300 1 389 40 40 HIS CD2 C 119.911 0.300 1 390 40 40 HIS CE1 C 138.527 0.300 1 391 40 40 HIS N N 121.459 0.300 1 392 41 41 ARG H H 8.846 0.030 1 393 41 41 ARG HA H 3.946 0.030 1 394 41 41 ARG HB2 H 1.851 0.030 2 395 41 41 ARG HB3 H 1.521 0.030 2 396 41 41 ARG HD2 H 3.030 0.030 1 397 41 41 ARG HD3 H 3.030 0.030 1 398 41 41 ARG HG2 H 1.223 0.030 2 399 41 41 ARG HG3 H 1.036 0.030 2 400 41 41 ARG C C 175.259 0.300 1 401 41 41 ARG CA C 56.495 0.300 1 402 41 41 ARG CB C 29.098 0.300 1 403 41 41 ARG CD C 43.378 0.300 1 404 41 41 ARG CG C 27.153 0.300 1 405 41 41 ARG N N 119.298 0.300 1 406 42 42 LYS H H 7.594 0.030 1 407 42 42 LYS HA H 4.943 0.030 1 408 42 42 LYS HB2 H 1.636 0.030 2 409 42 42 LYS HB3 H 1.489 0.030 2 410 42 42 LYS HD2 H 1.324 0.030 2 411 42 42 LYS HD3 H 0.584 0.030 2 412 42 42 LYS HE2 H 1.185 0.030 2 413 42 42 LYS HE3 H 0.776 0.030 2 414 42 42 LYS HG2 H 0.891 0.030 2 415 42 42 LYS HG3 H 0.365 0.030 2 416 42 42 LYS C C 175.501 0.300 1 417 42 42 LYS CA C 52.712 0.300 1 418 42 42 LYS CB C 36.288 0.300 1 419 42 42 LYS CD C 28.833 0.300 1 420 42 42 LYS CE C 40.985 0.300 1 421 42 42 LYS CG C 23.928 0.300 1 422 42 42 LYS N N 116.889 0.300 1 423 43 43 SER H H 8.953 0.030 1 424 43 43 SER HA H 4.725 0.030 1 425 43 43 SER HB2 H 4.437 0.030 2 426 43 43 SER HB3 H 3.940 0.030 2 427 43 43 SER C C 176.194 0.300 1 428 43 43 SER CA C 56.153 0.300 1 429 43 43 SER CB C 66.573 0.300 1 430 43 43 SER N N 117.286 0.300 1 431 44 44 ALA H H 9.281 0.030 1 432 44 44 ALA HA H 4.054 0.030 1 433 44 44 ALA HB H 1.455 0.030 1 434 44 44 ALA C C 179.495 0.300 1 435 44 44 ALA CA C 56.668 0.300 1 436 44 44 ALA CB C 18.122 0.300 1 437 44 44 ALA N N 125.351 0.300 1 438 45 45 LYS H H 8.325 0.030 1 439 45 45 LYS HA H 3.870 0.030 1 440 45 45 LYS HB2 H 1.855 0.030 2 441 45 45 LYS HB3 H 1.742 0.030 2 442 45 45 LYS HD2 H 1.679 0.030 1 443 45 45 LYS HD3 H 1.679 0.030 1 444 45 45 LYS HE2 H 2.992 0.030 1 445 45 45 LYS HE3 H 2.992 0.030 1 446 45 45 LYS HG2 H 1.523 0.030 2 447 45 45 LYS HG3 H 1.402 0.030 2 448 45 45 LYS C C 179.738 0.300 1 449 45 45 LYS CA C 59.831 0.300 1 450 45 45 LYS CB C 32.755 0.300 1 451 45 45 LYS CD C 29.555 0.300 1 452 45 45 LYS CE C 42.129 0.300 1 453 45 45 LYS CG C 25.264 0.300 1 454 45 45 LYS N N 117.200 0.300 1 455 46 46 GLN H H 7.915 0.030 1 456 46 46 GLN HA H 4.242 0.030 1 457 46 46 GLN HB2 H 2.655 0.030 2 458 46 46 GLN HB3 H 2.252 0.030 2 459 46 46 GLN HE21 H 7.551 0.030 2 460 46 46 GLN HE22 H 6.891 0.030 2 461 46 46 GLN HG2 H 2.549 0.030 2 462 46 46 GLN HG3 H 2.516 0.030 2 463 46 46 GLN C C 179.872 0.300 1 464 46 46 GLN CA C 58.976 0.300 1 465 46 46 GLN CB C 29.555 0.300 1 466 46 46 GLN CG C 35.238 0.300 1 467 46 46 GLN N N 118.899 0.300 1 468 46 46 GLN NE2 N 111.300 0.300 1 469 47 47 CYS H H 8.554 0.030 1 470 47 47 CYS HA H 4.347 0.030 1 471 47 47 CYS HB2 H 3.576 0.030 2 472 47 47 CYS HB3 H 2.863 0.030 2 473 47 47 CYS C C 174.312 0.300 1 474 47 47 CYS CA C 64.554 0.300 1 475 47 47 CYS CB C 27.378 0.300 1 476 47 47 CYS N N 119.570 0.300 1 477 48 48 LYS H H 7.686 0.030 1 478 48 48 LYS HA H 1.890 0.030 1 479 48 48 LYS HB2 H 1.313 0.030 2 480 48 48 LYS HB3 H 0.362 0.030 2 481 48 48 LYS HD2 H 1.408 0.030 1 482 48 48 LYS HD3 H 1.408 0.030 1 483 48 48 LYS HE2 H 3.003 0.030 2 484 48 48 LYS HE3 H 2.813 0.030 2 485 48 48 LYS HG2 H 1.044 0.030 2 486 48 48 LYS HG3 H 0.667 0.030 2 487 48 48 LYS C C 177.444 0.300 1 488 48 48 LYS CA C 59.092 0.300 1 489 48 48 LYS CB C 32.782 0.300 1 490 48 48 LYS CD C 30.274 0.300 1 491 48 48 LYS CE C 42.258 0.300 1 492 48 48 LYS CG C 25.273 0.300 1 493 48 48 LYS N N 120.560 0.300 1 494 49 49 ALA H H 7.526 0.030 1 495 49 49 ALA HA H 4.112 0.030 1 496 49 49 ALA HB H 1.385 0.030 1 497 49 49 ALA C C 179.131 0.300 1 498 49 49 ALA CA C 54.849 0.300 1 499 49 49 ALA CB C 18.242 0.300 1 500 49 49 ALA N N 118.191 0.300 1 501 50 50 ARG H H 7.883 0.030 1 502 50 50 ARG HA H 3.778 0.030 1 503 50 50 ARG HB2 H 1.405 0.030 2 504 50 50 ARG HB3 H 1.024 0.030 2 505 50 50 ARG HD2 H 2.590 0.030 2 506 50 50 ARG HD3 H 0.899 0.030 2 507 50 50 ARG HE H 8.407 0.030 1 508 50 50 ARG HG2 H 0.700 0.030 2 509 50 50 ARG HG3 H -0.530 0.030 2 510 50 50 ARG C C 178.767 0.300 1 511 50 50 ARG CA C 57.240 0.300 1 512 50 50 ARG CB C 30.434 0.300 1 513 50 50 ARG CD C 42.988 0.300 1 514 50 50 ARG CG C 23.664 0.300 1 515 50 50 ARG N N 118.006 0.300 1 516 50 50 ARG NE N 85.469 0.300 1 517 51 51 TRP H H 7.930 0.030 1 518 51 51 TRP HA H 4.145 0.030 1 519 51 51 TRP HB2 H 3.159 0.030 1 520 51 51 TRP HB3 H 3.159 0.030 1 521 51 51 TRP HD1 H 5.257 0.030 1 522 51 51 TRP HE1 H 10.033 0.030 1 523 51 51 TRP HE3 H 7.204 0.030 1 524 51 51 TRP HH2 H 7.175 0.030 1 525 51 51 TRP HZ2 H 7.390 0.030 1 526 51 51 TRP HZ3 H 6.890 0.030 1 527 51 51 TRP CA C 61.091 0.300 1 528 51 51 TRP CB C 29.780 0.300 1 529 51 51 TRP CD1 C 127.092 0.300 1 530 51 51 TRP CE3 C 120.413 0.300 1 531 51 51 TRP CH2 C 124.757 0.300 1 532 51 51 TRP CZ2 C 114.496 0.300 1 533 51 51 TRP CZ3 C 121.461 0.300 1 534 51 51 TRP N N 117.423 0.300 1 535 51 51 TRP NE1 N 128.994 0.300 1 536 52 52 TYR H H 8.156 0.030 1 537 52 52 TYR HA H 3.924 0.030 1 538 52 52 TYR HB2 H 3.101 0.030 2 539 52 52 TYR HB3 H 2.806 0.030 2 540 52 52 TYR HD1 H 7.466 0.030 1 541 52 52 TYR HD2 H 7.466 0.030 1 542 52 52 TYR HE1 H 7.129 0.030 1 543 52 52 TYR HE2 H 7.129 0.030 1 544 52 52 TYR C C 177.905 0.300 1 545 52 52 TYR CA C 63.129 0.300 1 546 52 52 TYR CB C 38.159 0.300 1 547 52 52 TYR CD1 C 133.952 0.300 1 548 52 52 TYR CD2 C 133.952 0.300 1 549 52 52 TYR CE1 C 117.952 0.300 1 550 52 52 TYR CE2 C 117.952 0.300 1 551 52 52 TYR N N 113.060 0.300 1 552 53 53 GLU H H 8.696 0.030 1 553 53 53 GLU HA H 4.223 0.030 1 554 53 53 GLU HB2 H 2.080 0.030 2 555 53 53 GLU HB3 H 1.894 0.030 2 556 53 53 GLU HG2 H 2.392 0.030 2 557 53 53 GLU HG3 H 2.129 0.030 2 558 53 53 GLU C C 176.946 0.300 1 559 53 53 GLU CA C 56.994 0.300 1 560 53 53 GLU CB C 30.066 0.300 1 561 53 53 GLU CG C 36.700 0.300 1 562 53 53 GLU N N 114.324 0.300 1 563 54 54 TRP H H 7.262 0.030 1 564 54 54 TRP HA H 4.713 0.030 1 565 54 54 TRP HB2 H 2.988 0.030 1 566 54 54 TRP HB3 H 2.988 0.030 1 567 54 54 TRP HD1 H 6.733 0.030 1 568 54 54 TRP HE1 H 9.937 0.030 1 569 54 54 TRP HE3 H 7.608 0.030 1 570 54 54 TRP HH2 H 7.195 0.030 1 571 54 54 TRP HZ2 H 7.421 0.030 1 572 54 54 TRP C C 175.113 0.300 1 573 54 54 TRP CA C 58.789 0.300 1 574 54 54 TRP CB C 32.868 0.300 1 575 54 54 TRP CD1 C 126.555 0.300 1 576 54 54 TRP CE3 C 120.945 0.300 1 577 54 54 TRP CH2 C 124.466 0.300 1 578 54 54 TRP CZ2 C 114.493 0.300 1 579 54 54 TRP N N 116.789 0.300 1 580 54 54 TRP NE1 N 128.259 0.300 1 581 55 55 LEU H H 7.620 0.030 1 582 55 55 LEU HA H 3.906 0.030 1 583 55 55 LEU HB2 H 1.443 0.030 2 584 55 55 LEU HB3 H 1.191 0.030 2 585 55 55 LEU HD1 H 0.996 0.030 1 586 55 55 LEU HD2 H 0.791 0.030 1 587 55 55 LEU HG H 1.532 0.030 1 588 55 55 LEU C C 176.303 0.300 1 589 55 55 LEU CA C 55.881 0.300 1 590 55 55 LEU CB C 44.117 0.300 1 591 55 55 LEU CD1 C 26.822 0.300 2 592 55 55 LEU CD2 C 22.692 0.300 2 593 55 55 LEU CG C 26.836 0.300 1 594 55 55 LEU N N 117.707 0.300 1 595 56 56 ASP H H 7.587 0.030 1 596 56 56 ASP HA H 3.261 0.030 1 597 56 56 ASP HB2 H 2.184 0.030 2 598 56 56 ASP HB3 H 1.326 0.030 2 599 56 56 ASP C C 175.805 0.300 1 600 56 56 ASP CA C 52.316 0.300 1 601 56 56 ASP CB C 41.068 0.300 1 602 56 56 ASP N N 121.412 0.300 1 603 57 57 PRO HA H 4.234 0.030 1 604 57 57 PRO HB2 H 2.230 0.030 2 605 57 57 PRO HB3 H 1.928 0.030 2 606 57 57 PRO HD2 H 3.723 0.030 1 607 57 57 PRO HD3 H 3.723 0.030 1 608 57 57 PRO HG2 H 1.977 0.030 1 609 57 57 PRO HG3 H 1.977 0.030 1 610 57 57 PRO C C 177.674 0.300 1 611 57 57 PRO CA C 64.109 0.300 1 612 57 57 PRO CB C 31.934 0.300 1 613 57 57 PRO CD C 51.481 0.300 1 614 57 57 PRO CG C 27.115 0.300 1 615 58 58 SER H H 8.497 0.030 1 616 58 58 SER HA H 4.202 0.030 1 617 58 58 SER HB2 H 3.864 0.030 1 618 58 58 SER HB3 H 3.864 0.030 1 619 58 58 SER C C 175.028 0.300 1 620 58 58 SER CA C 59.923 0.300 1 621 58 58 SER CB C 63.593 0.300 1 622 58 58 SER N N 114.622 0.300 1 623 59 59 ILE H H 7.447 0.030 1 624 59 59 ILE HA H 3.886 0.030 1 625 59 59 ILE HB H 1.654 0.030 1 626 59 59 ILE HD1 H 0.613 0.030 1 627 59 59 ILE HG12 H 1.295 0.030 2 628 59 59 ILE HG13 H 1.039 0.030 2 629 59 59 ILE HG2 H 0.728 0.030 1 630 59 59 ILE C C 176.352 0.300 1 631 59 59 ILE CA C 61.867 0.300 1 632 59 59 ILE CB C 38.225 0.300 1 633 59 59 ILE CD1 C 13.203 0.300 1 634 59 59 ILE CG1 C 27.740 0.300 1 635 59 59 ILE CG2 C 17.389 0.300 1 636 59 59 ILE N N 121.993 0.300 1 637 60 60 LYS H H 8.079 0.030 1 638 60 60 LYS HA H 4.198 0.030 1 639 60 60 LYS HB2 H 1.734 0.030 2 640 60 60 LYS HB3 H 1.678 0.030 2 641 60 60 LYS HD2 H 1.579 0.030 1 642 60 60 LYS HD3 H 1.579 0.030 1 643 60 60 LYS HE2 H 2.892 0.030 1 644 60 60 LYS HE3 H 2.892 0.030 1 645 60 60 LYS HG2 H 1.374 0.030 2 646 60 60 LYS HG3 H 1.302 0.030 2 647 60 60 LYS C C 176.352 0.300 1 648 60 60 LYS CA C 56.155 0.300 1 649 60 60 LYS CB C 32.450 0.300 1 650 60 60 LYS CD C 28.790 0.300 1 651 60 60 LYS CE C 42.139 0.300 1 652 60 60 LYS CG C 24.670 0.300 1 653 60 60 LYS N N 124.995 0.300 1 654 61 61 LYS H H 8.224 0.030 1 655 61 61 LYS HA H 4.276 0.030 1 656 61 61 LYS HB2 H 1.727 0.030 2 657 61 61 LYS HB3 H 1.622 0.030 2 658 61 61 LYS HD2 H 1.441 0.030 1 659 61 61 LYS HD3 H 1.441 0.030 1 660 61 61 LYS HE2 H 2.679 0.030 1 661 61 61 LYS HE3 H 2.679 0.030 1 662 61 61 LYS HG2 H 1.276 0.030 2 663 61 61 LYS HG3 H 1.174 0.030 2 664 61 61 LYS C C 176.715 0.300 1 665 61 61 LYS CA C 56.178 0.300 1 666 61 61 LYS CB C 33.001 0.300 1 667 61 61 LYS CD C 28.836 0.300 1 668 61 61 LYS CE C 42.139 0.300 1 669 61 61 LYS CG C 24.620 0.300 1 670 61 61 LYS N N 123.339 0.300 1 671 62 62 THR H H 8.120 0.030 1 672 62 62 THR HA H 4.257 0.030 1 673 62 62 THR HB H 4.107 0.030 1 674 62 62 THR HG2 H 1.107 0.030 1 675 62 62 THR C C 174.543 0.300 1 676 62 62 THR CA C 61.917 0.300 1 677 62 62 THR CB C 69.867 0.300 1 678 62 62 THR CG2 C 21.619 0.300 1 679 62 62 THR N N 114.886 0.300 1 680 63 63 GLU H H 8.394 0.030 1 681 63 63 GLU HA H 4.282 0.030 1 682 63 63 GLU HB2 H 1.970 0.030 2 683 63 63 GLU HB3 H 1.857 0.030 2 684 63 63 GLU HG2 H 2.174 0.030 2 685 63 63 GLU HG3 H 2.128 0.030 2 686 63 63 GLU C C 175.975 0.300 1 687 63 63 GLU CA C 56.418 0.300 1 688 63 63 GLU CB C 30.258 0.300 1 689 63 63 GLU CG C 36.190 0.300 1 690 63 63 GLU N N 122.787 0.300 1 691 64 64 TRP H H 8.253 0.030 1 692 64 64 TRP HA H 4.680 0.030 1 693 64 64 TRP HB2 H 3.258 0.030 2 694 64 64 TRP HB3 H 3.211 0.030 2 695 64 64 TRP HD1 H 7.225 0.030 1 696 64 64 TRP HE1 H 10.089 0.030 1 697 64 64 TRP HE3 H 7.601 0.030 1 698 64 64 TRP HH2 H 7.189 0.030 1 699 64 64 TRP HZ2 H 7.448 0.030 1 700 64 64 TRP C C 176.096 0.300 1 701 64 64 TRP CA C 57.435 0.300 1 702 64 64 TRP CB C 29.779 0.300 1 703 64 64 TRP CD1 C 127.321 0.300 1 704 64 64 TRP CE3 C 120.993 0.300 1 705 64 64 TRP CH2 C 124.614 0.300 1 706 64 64 TRP CZ2 C 114.590 0.300 1 707 64 64 TRP N N 122.641 0.300 1 708 64 64 TRP NE1 N 129.600 0.300 1 709 65 65 SER H H 8.067 0.030 1 710 65 65 SER CA C 57.886 0.300 1 711 65 65 SER CB C 64.140 0.300 1 712 65 65 SER N N 118.887 0.300 1 713 66 66 GLY H H 7.314 0.030 1 714 66 66 GLY HA2 H 3.867 0.030 2 715 66 66 GLY HA3 H 3.743 0.030 2 716 66 66 GLY CA C 44.503 0.300 1 717 67 67 PRO HA H 4.458 0.030 1 718 67 67 PRO HB2 H 2.296 0.030 2 719 67 67 PRO HB3 H 1.972 0.030 2 720 67 67 PRO HD2 H 3.593 0.030 2 721 67 67 PRO HD3 H 3.548 0.030 2 722 67 67 PRO HG2 H 2.017 0.030 1 723 67 67 PRO HG3 H 2.017 0.030 1 724 67 67 PRO CA C 63.233 0.300 1 725 67 67 PRO CB C 32.232 0.300 1 726 67 67 PRO CD C 49.737 0.300 1 727 67 67 PRO CG C 27.186 0.300 1 728 68 68 SER H H 8.522 0.030 1 729 68 68 SER N N 116.504 0.300 1 stop_ save_