data_11315 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RING domain of the Non-SMC element 1 protein ; _BMRB_accession_number 11315 _BMRB_flat_file_name bmr11315.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 Sato M. . . 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" 376 "13C chemical shifts" 280 "15N chemical shifts" 61 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 RING domain of the Non-SMC element 1 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 Miyamoto K. . . 2 Sato M. . . 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 'Non-SMC element 1 homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RING domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $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 'RING domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; GSSGSSGRETYPDAVKICNI CHSLLIQGQSCETCGIRMHL PCVAKYFQSNAEPRCPHCND YWPHEIPKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 GLU 10 THR 11 TYR 12 PRO 13 ASP 14 ALA 15 VAL 16 LYS 17 ILE 18 CYS 19 ASN 20 ILE 21 CYS 22 HIS 23 SER 24 LEU 25 LEU 26 ILE 27 GLN 28 GLY 29 GLN 30 SER 31 CYS 32 GLU 33 THR 34 CYS 35 GLY 36 ILE 37 ARG 38 MET 39 HIS 40 LEU 41 PRO 42 CYS 43 VAL 44 ALA 45 LYS 46 TYR 47 PHE 48 GLN 49 SER 50 ASN 51 ALA 52 GLU 53 PRO 54 ARG 55 CYS 56 PRO 57 HIS 58 CYS 59 ASN 60 ASP 61 TYR 62 TRP 63 PRO 64 HIS 65 GLU 66 ILE 67 PRO 68 LYS 69 SER 70 GLY 71 PRO 72 SER 73 SER 74 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 2CT0 "Solution Structure Of The Ring Domain Of The Non-Smc Element 1 Protein" 100.00 74 100.00 100.00 1.64e-46 PDB 3NW0 "Crystal Structure Of Mageg1 And Nse1 Complex" 82.43 238 100.00 100.00 8.93e-43 DBJ BAG38039 "unnamed protein product [Homo sapiens]" 82.43 256 100.00 100.00 2.30e-42 EMBL CAH91065 "hypothetical protein [Pongo abelii]" 82.43 266 100.00 100.00 3.28e-42 GB AAH18938 "NSMCE1 protein, partial [Homo sapiens]" 82.43 260 100.00 100.00 1.55e-42 GB AIC61504 "NSMCE1, partial [synthetic construct]" 82.43 256 100.00 100.00 2.30e-42 GB EAW55754 "non-SMC element 1 homolog (S. cerevisiae), isoform CRA_a [Homo sapiens]" 81.08 247 100.00 100.00 5.93e-42 GB EAW55756 "non-SMC element 1 homolog (S. cerevisiae), isoform CRA_c [Homo sapiens]" 82.43 266 100.00 100.00 1.72e-42 GB EAW55757 "non-SMC element 1 homolog (S. cerevisiae), isoform CRA_c [Homo sapiens]" 82.43 266 100.00 100.00 1.72e-42 REF NP_001125616 "non-structural maintenance of chromosomes element 1 homolog [Pongo abelii]" 82.43 266 100.00 100.00 3.28e-42 REF NP_659547 "non-structural maintenance of chromosomes element 1 homolog [Homo sapiens]" 82.43 266 100.00 100.00 1.72e-42 REF XP_003807806 "PREDICTED: non-structural maintenance of chromosomes element 1 homolog isoform X1 [Pan paniscus]" 82.43 266 100.00 100.00 2.04e-42 REF XP_003916752 "PREDICTED: non-structural maintenance of chromosomes element 1 homolog isoform X1 [Papio anubis]" 82.43 266 98.36 100.00 1.18e-41 REF XP_004057436 "PREDICTED: non-structural maintenance of chromosomes element 1 homolog isoform 1 [Gorilla gorilla gorilla]" 82.43 266 100.00 100.00 1.80e-42 SP Q5RAZ5 "RecName: Full=Non-structural maintenance of chromosomes element 1 homolog; Short=Non-SMC element 1 homolog" 82.43 266 100.00 100.00 3.28e-42 SP Q8WV22 "RecName: Full=Non-structural maintenance of chromosomes element 1 homolog; Short=Non-SMC element 1 homolog" 82.43 266 100.00 100.00 1.72e-42 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 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 P041101-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.27mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 0.1mM {NTA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.27 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 0.05 mM 'natural abundance' NTA 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 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 0.925 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_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 'RING 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 8 8 ARG H H 8.140 0.030 1 2 8 8 ARG HA H 4.308 0.030 1 3 8 8 ARG HB2 H 1.830 0.030 2 4 8 8 ARG HB3 H 1.714 0.030 2 5 8 8 ARG HD2 H 3.150 0.030 1 6 8 8 ARG HD3 H 3.150 0.030 1 7 8 8 ARG HG2 H 1.576 0.030 1 8 8 8 ARG HG3 H 1.576 0.030 1 9 8 8 ARG C C 176.336 0.300 1 10 8 8 ARG CA C 56.064 0.300 1 11 8 8 ARG CB C 30.867 0.300 1 12 8 8 ARG CD C 43.367 0.300 1 13 8 8 ARG CG C 26.955 0.300 1 14 8 8 ARG N N 120.312 0.300 1 15 9 9 GLU H H 8.576 0.030 1 16 9 9 GLU HA H 4.261 0.030 1 17 9 9 GLU HB2 H 1.888 0.030 2 18 9 9 GLU HB3 H 1.932 0.030 2 19 9 9 GLU HG2 H 2.213 0.030 1 20 9 9 GLU HG3 H 2.213 0.030 1 21 9 9 GLU C C 176.300 0.300 1 22 9 9 GLU CA C 56.810 0.300 1 23 9 9 GLU CB C 30.165 0.300 1 24 9 9 GLU CG C 36.212 0.300 1 25 9 9 GLU N N 121.995 0.300 1 26 10 10 THR H H 8.078 0.030 1 27 10 10 THR HA H 4.223 0.030 1 28 10 10 THR HB H 4.034 0.030 1 29 10 10 THR HG2 H 1.050 0.030 1 30 10 10 THR C C 173.719 0.300 1 31 10 10 THR CA C 61.651 0.300 1 32 10 10 THR CB C 70.068 0.300 1 33 10 10 THR CG2 C 21.574 0.300 1 34 10 10 THR N N 115.079 0.300 1 35 11 11 TYR H H 8.248 0.030 1 36 11 11 TYR HA H 4.843 0.030 1 37 11 11 TYR HB2 H 3.081 0.030 2 38 11 11 TYR HB3 H 2.832 0.030 2 39 11 11 TYR HD1 H 7.123 0.030 1 40 11 11 TYR HD2 H 7.123 0.030 1 41 11 11 TYR HE1 H 6.778 0.030 1 42 11 11 TYR HE2 H 6.778 0.030 1 43 11 11 TYR C C 174.180 0.300 1 44 11 11 TYR CA C 55.732 0.300 1 45 11 11 TYR CB C 38.351 0.300 1 46 11 11 TYR CD1 C 133.375 0.300 1 47 11 11 TYR CD2 C 133.375 0.300 1 48 11 11 TYR CE1 C 118.255 0.300 1 49 11 11 TYR CE2 C 118.255 0.300 1 50 11 11 TYR N N 122.997 0.300 1 51 12 12 PRO HA H 4.392 0.030 1 52 12 12 PRO HB2 H 2.259 0.030 2 53 12 12 PRO HB3 H 1.916 0.030 2 54 12 12 PRO HD2 H 3.601 0.030 2 55 12 12 PRO HD3 H 3.751 0.030 2 56 12 12 PRO HG2 H 1.984 0.030 1 57 12 12 PRO HG3 H 1.984 0.030 1 58 12 12 PRO C C 176.724 0.300 1 59 12 12 PRO CA C 63.593 0.300 1 60 12 12 PRO CB C 32.005 0.300 1 61 12 12 PRO CD C 50.604 0.300 1 62 12 12 PRO CG C 27.413 0.300 1 63 13 13 ASP H H 8.290 0.030 1 64 13 13 ASP HA H 4.519 0.030 1 65 13 13 ASP HB2 H 2.686 0.030 2 66 13 13 ASP HB3 H 2.584 0.030 2 67 13 13 ASP C C 176.021 0.300 1 68 13 13 ASP CA C 54.509 0.300 1 69 13 13 ASP CB C 41.018 0.300 1 70 13 13 ASP N N 119.247 0.300 1 71 14 14 ALA H H 7.997 0.030 1 72 14 14 ALA HA H 4.234 0.030 1 73 14 14 ALA HB H 1.361 0.030 1 74 14 14 ALA C C 177.778 0.300 1 75 14 14 ALA CA C 52.846 0.300 1 76 14 14 ALA CB C 19.368 0.300 1 77 14 14 ALA N N 123.209 0.300 1 78 15 15 VAL H H 7.977 0.030 1 79 15 15 VAL HA H 4.016 0.030 1 80 15 15 VAL HB H 2.031 0.030 1 81 15 15 VAL HG1 H 0.926 0.030 1 82 15 15 VAL HG2 H 0.903 0.030 1 83 15 15 VAL C C 175.888 0.300 1 84 15 15 VAL CA C 62.605 0.300 1 85 15 15 VAL CB C 32.511 0.300 1 86 15 15 VAL CG1 C 20.718 0.300 2 87 15 15 VAL CG2 C 21.510 0.300 2 88 15 15 VAL N N 118.340 0.300 1 89 16 16 LYS H H 8.383 0.030 1 90 16 16 LYS HA H 4.466 0.030 1 91 16 16 LYS HB2 H 1.862 0.030 2 92 16 16 LYS HB3 H 1.671 0.030 2 93 16 16 LYS HD2 H 1.528 0.030 2 94 16 16 LYS HD3 H 1.593 0.030 2 95 16 16 LYS HE2 H 2.933 0.030 1 96 16 16 LYS HE3 H 2.933 0.030 1 97 16 16 LYS HG2 H 1.304 0.030 2 98 16 16 LYS HG3 H 1.405 0.030 2 99 16 16 LYS C C 174.798 0.300 1 100 16 16 LYS CA C 55.340 0.300 1 101 16 16 LYS CB C 33.612 0.300 1 102 16 16 LYS CD C 28.976 0.300 1 103 16 16 LYS CE C 42.216 0.300 1 104 16 16 LYS CG C 24.781 0.300 1 105 16 16 LYS N N 124.787 0.300 1 106 17 17 ILE H H 7.776 0.030 1 107 17 17 ILE HA H 4.392 0.030 1 108 17 17 ILE HB H 1.483 0.030 1 109 17 17 ILE HD1 H 0.660 0.030 1 110 17 17 ILE HG12 H 1.180 0.030 2 111 17 17 ILE HG13 H 0.981 0.030 2 112 17 17 ILE HG2 H 0.646 0.030 1 113 17 17 ILE C C 174.446 0.300 1 114 17 17 ILE CA C 58.551 0.300 1 115 17 17 ILE CB C 41.480 0.300 1 116 17 17 ILE CD1 C 12.545 0.300 1 117 17 17 ILE CG1 C 26.433 0.300 1 118 17 17 ILE CG2 C 17.271 0.300 1 119 17 17 ILE N N 117.988 0.300 1 120 18 18 CYS H H 7.999 0.030 1 121 18 18 CYS HA H 4.228 0.030 1 122 18 18 CYS HB2 H 3.234 0.030 2 123 18 18 CYS HB3 H 1.901 0.030 2 124 18 18 CYS C C 176.966 0.300 1 125 18 18 CYS CA C 57.686 0.300 1 126 18 18 CYS CB C 32.176 0.300 1 127 18 18 CYS N N 125.272 0.300 1 128 19 19 ASN H H 9.065 0.030 1 129 19 19 ASN HA H 4.342 0.030 1 130 19 19 ASN HB2 H 2.874 0.030 2 131 19 19 ASN HB3 H 2.227 0.030 2 132 19 19 ASN HD21 H 7.488 0.030 2 133 19 19 ASN HD22 H 6.904 0.030 2 134 19 19 ASN C C 173.719 0.300 1 135 19 19 ASN CA C 56.864 0.300 1 136 19 19 ASN CB C 41.946 0.300 1 137 19 19 ASN N N 127.627 0.300 1 138 19 19 ASN ND2 N 109.889 0.300 1 139 20 20 ILE H H 8.558 0.030 1 140 20 20 ILE HA H 3.964 0.030 1 141 20 20 ILE HB H 1.948 0.030 1 142 20 20 ILE HD1 H 0.166 0.030 1 143 20 20 ILE HG12 H 1.098 0.030 2 144 20 20 ILE HG13 H 1.204 0.030 2 145 20 20 ILE HG2 H 0.848 0.030 1 146 20 20 ILE C C 176.457 0.300 1 147 20 20 ILE CA C 60.590 0.300 1 148 20 20 ILE CB C 37.184 0.300 1 149 20 20 ILE CD1 C 9.315 0.300 1 150 20 20 ILE CG1 C 27.478 0.300 1 151 20 20 ILE CG2 C 16.781 0.300 1 152 20 20 ILE N N 116.440 0.300 1 153 21 21 CYS H H 7.805 0.030 1 154 21 21 CYS HA H 4.751 0.030 1 155 21 21 CYS HB2 H 2.823 0.030 2 156 21 21 CYS HB3 H 3.285 0.030 2 157 21 21 CYS C C 176.154 0.300 1 158 21 21 CYS CA C 58.587 0.300 1 159 21 21 CYS CB C 31.104 0.300 1 160 21 21 CYS N N 116.557 0.300 1 161 22 22 HIS H H 7.715 0.030 1 162 22 22 HIS HA H 4.420 0.030 1 163 22 22 HIS HB2 H 3.342 0.030 2 164 22 22 HIS HB3 H 3.466 0.030 2 165 22 22 HIS HD2 H 6.951 0.030 1 166 22 22 HIS C C 173.646 0.300 1 167 22 22 HIS CA C 57.293 0.300 1 168 22 22 HIS CB C 27.044 0.300 1 169 22 22 HIS CD2 C 118.947 0.300 1 170 22 22 HIS N N 116.853 0.300 1 171 23 23 SER H H 8.014 0.030 1 172 23 23 SER HA H 4.982 0.030 1 173 23 23 SER HB2 H 4.064 0.030 2 174 23 23 SER HB3 H 4.117 0.030 2 175 23 23 SER C C 173.416 0.300 1 176 23 23 SER CA C 57.495 0.300 1 177 23 23 SER CB C 65.489 0.300 1 178 23 23 SER N N 114.560 0.300 1 179 24 24 LEU H H 8.298 0.030 1 180 24 24 LEU HA H 4.318 0.030 1 181 24 24 LEU HB2 H 1.674 0.030 2 182 24 24 LEU HB3 H 1.567 0.030 2 183 24 24 LEU HD1 H 0.865 0.030 1 184 24 24 LEU HD2 H 0.951 0.030 1 185 24 24 LEU HG H 1.609 0.030 1 186 24 24 LEU C C 176.227 0.300 1 187 24 24 LEU CA C 56.746 0.300 1 188 24 24 LEU CB C 42.725 0.300 1 189 24 24 LEU CD1 C 24.650 0.300 2 190 24 24 LEU CD2 C 24.658 0.300 2 191 24 24 LEU CG C 27.185 0.300 1 192 24 24 LEU N N 122.265 0.300 1 193 25 25 LEU H H 8.476 0.030 1 194 25 25 LEU HA H 4.546 0.030 1 195 25 25 LEU HB2 H 0.896 0.030 2 196 25 25 LEU HB3 H 0.957 0.030 2 197 25 25 LEU HD1 H 0.225 0.030 1 198 25 25 LEU HD2 H 0.183 0.030 1 199 25 25 LEU HG H 1.178 0.030 1 200 25 25 LEU C C 173.913 0.300 1 201 25 25 LEU CA C 54.606 0.300 1 202 25 25 LEU CB C 44.945 0.300 1 203 25 25 LEU CD1 C 25.499 0.300 2 204 25 25 LEU CD2 C 26.955 0.300 2 205 25 25 LEU CG C 26.724 0.300 1 206 25 25 LEU N N 127.504 0.300 1 207 26 26 ILE HA H 4.189 0.030 1 208 26 26 ILE HB H 1.966 0.030 1 209 26 26 ILE HD1 H 0.856 0.030 1 210 26 26 ILE HG12 H 1.202 0.030 2 211 26 26 ILE HG13 H 1.478 0.030 2 212 26 26 ILE HG2 H 0.942 0.030 1 213 26 26 ILE CA C 62.465 0.300 1 214 26 26 ILE CB C 38.482 0.300 1 215 26 26 ILE CD1 C 12.335 0.300 1 216 26 26 ILE CG1 C 27.428 0.300 1 217 26 26 ILE CG2 C 17.751 0.300 1 218 28 28 GLY HA2 H 4.055 0.030 1 219 28 28 GLY HA3 H 4.055 0.030 1 220 28 28 GLY C C 172.144 0.300 1 221 28 28 GLY CA C 46.008 0.300 1 222 29 29 GLN H H 8.586 0.030 1 223 29 29 GLN HA H 4.510 0.030 1 224 29 29 GLN HB2 H 1.851 0.030 2 225 29 29 GLN HB3 H 2.031 0.030 2 226 29 29 GLN HE21 H 7.250 0.030 2 227 29 29 GLN HE22 H 6.887 0.030 2 228 29 29 GLN HG2 H 2.315 0.030 2 229 29 29 GLN HG3 H 2.112 0.030 2 230 29 29 GLN C C 175.537 0.300 1 231 29 29 GLN CA C 54.894 0.300 1 232 29 29 GLN CB C 33.078 0.300 1 233 29 29 GLN CG C 33.711 0.300 1 234 29 29 GLN N N 119.916 0.300 1 235 29 29 GLN NE2 N 107.365 0.300 1 236 30 30 SER H H 8.274 0.030 1 237 30 30 SER HA H 5.657 0.030 1 238 30 30 SER HB2 H 3.562 0.030 1 239 30 30 SER HB3 H 3.562 0.030 1 240 30 30 SER C C 173.404 0.300 1 241 30 30 SER CA C 56.219 0.300 1 242 30 30 SER CB C 65.895 0.300 1 243 30 30 SER N N 115.312 0.300 1 244 31 31 CYS H H 8.869 0.030 1 245 31 31 CYS HA H 4.027 0.030 1 246 31 31 CYS HB2 H 3.238 0.030 2 247 31 31 CYS HB3 H 3.339 0.030 2 248 31 31 CYS C C 178.432 0.300 1 249 31 31 CYS CA C 59.077 0.300 1 250 31 31 CYS CB C 31.642 0.300 1 251 31 31 CYS N N 125.552 0.300 1 252 32 32 GLU H H 8.821 0.030 1 253 32 32 GLU HA H 4.089 0.030 1 254 32 32 GLU HB2 H 2.128 0.030 2 255 32 32 GLU HB3 H 1.929 0.030 2 256 32 32 GLU HG2 H 2.220 0.030 2 257 32 32 GLU HG3 H 2.295 0.030 2 258 32 32 GLU C C 176.639 0.300 1 259 32 32 GLU CA C 58.255 0.300 1 260 32 32 GLU CB C 29.548 0.300 1 261 32 32 GLU CG C 36.624 0.300 1 262 32 32 GLU N N 130.985 0.300 1 263 33 33 THR H H 9.202 0.030 1 264 33 33 THR HA H 4.169 0.030 1 265 33 33 THR HB H 4.613 0.030 1 266 33 33 THR HG2 H 1.210 0.030 1 267 33 33 THR C C 175.670 0.300 1 268 33 33 THR CA C 65.748 0.300 1 269 33 33 THR CB C 68.619 0.300 1 270 33 33 THR CG2 C 23.035 0.300 1 271 33 33 THR N N 120.479 0.300 1 272 34 34 CYS H H 8.942 0.030 1 273 34 34 CYS HA H 5.046 0.030 1 274 34 34 CYS HB2 H 3.310 0.030 2 275 34 34 CYS HB3 H 2.684 0.030 2 276 34 34 CYS C C 177.342 0.300 1 277 34 34 CYS CA C 59.221 0.300 1 278 34 34 CYS CB C 32.915 0.300 1 279 34 34 CYS N N 122.147 0.300 1 280 35 35 GLY H H 7.772 0.030 1 281 35 35 GLY HA2 H 4.171 0.030 2 282 35 35 GLY HA3 H 3.897 0.030 2 283 35 35 GLY C C 175.331 0.300 1 284 35 35 GLY CA C 46.157 0.300 1 285 35 35 GLY N N 112.388 0.300 1 286 36 36 ILE H H 8.117 0.030 1 287 36 36 ILE HA H 4.203 0.030 1 288 36 36 ILE HB H 1.987 0.030 1 289 36 36 ILE HD1 H 0.926 0.030 1 290 36 36 ILE HG12 H 1.617 0.030 2 291 36 36 ILE HG13 H 1.310 0.030 2 292 36 36 ILE HG2 H 0.948 0.030 1 293 36 36 ILE C C 174.374 0.300 1 294 36 36 ILE CA C 62.707 0.300 1 295 36 36 ILE CB C 39.866 0.300 1 296 36 36 ILE CD1 C 16.282 0.300 1 297 36 36 ILE CG1 C 28.107 0.300 1 298 36 36 ILE CG2 C 20.729 0.300 1 299 36 36 ILE N N 118.018 0.300 1 300 37 37 ARG H H 8.718 0.030 1 301 37 37 ARG HA H 5.470 0.030 1 302 37 37 ARG HB2 H 1.513 0.030 1 303 37 37 ARG HB3 H 1.513 0.030 1 304 37 37 ARG HD2 H 2.948 0.030 1 305 37 37 ARG HD3 H 2.948 0.030 1 306 37 37 ARG HG2 H 1.504 0.030 2 307 37 37 ARG HG3 H 1.689 0.030 2 308 37 37 ARG C C 175.609 0.300 1 309 37 37 ARG CA C 54.208 0.300 1 310 37 37 ARG CB C 35.008 0.300 1 311 37 37 ARG CD C 44.025 0.300 1 312 37 37 ARG CG C 27.413 0.300 1 313 37 37 ARG N N 118.766 0.300 1 314 38 38 MET H H 8.792 0.030 1 315 38 38 MET HA H 5.678 0.030 1 316 38 38 MET HB2 H 1.790 0.030 2 317 38 38 MET HB3 H 1.867 0.030 2 318 38 38 MET HE H 1.189 0.030 1 319 38 38 MET HG2 H 2.221 0.030 2 320 38 38 MET HG3 H 2.383 0.030 2 321 38 38 MET C C 176.021 0.300 1 322 38 38 MET CA C 54.230 0.300 1 323 38 38 MET CB C 39.770 0.300 1 324 38 38 MET CE C 17.894 0.300 1 325 38 38 MET CG C 33.663 0.300 1 326 38 38 MET N N 117.263 0.300 1 327 39 39 HIS H H 8.491 0.030 1 328 39 39 HIS HA H 4.687 0.030 1 329 39 39 HIS HB2 H 3.814 0.030 2 330 39 39 HIS HB3 H 3.559 0.030 2 331 39 39 HIS HD2 H 7.734 0.030 1 332 39 39 HIS HE1 H 7.401 0.030 1 333 39 39 HIS C C 176.882 0.300 1 334 39 39 HIS CA C 58.245 0.300 1 335 39 39 HIS CB C 32.306 0.300 1 336 39 39 HIS CD2 C 119.711 0.300 1 337 39 39 HIS CE1 C 139.261 0.300 1 338 39 39 HIS N N 121.434 0.300 1 339 40 40 LEU H H 9.843 0.030 1 340 40 40 LEU HA H 4.264 0.030 1 341 40 40 LEU HB2 H 1.752 0.030 2 342 40 40 LEU HB3 H 1.995 0.030 2 343 40 40 LEU HD1 H 0.991 0.030 1 344 40 40 LEU HD2 H 1.055 0.030 1 345 40 40 LEU HG H 1.829 0.030 1 346 40 40 LEU C C 176.869 0.300 1 347 40 40 LEU CA C 60.588 0.300 1 348 40 40 LEU CB C 38.482 0.300 1 349 40 40 LEU CD1 C 23.673 0.300 2 350 40 40 LEU CD2 C 24.714 0.300 2 351 40 40 LEU CG C 28.811 0.300 1 352 40 40 LEU N N 124.703 0.300 1 353 41 41 PRO HA H 4.442 0.030 1 354 41 41 PRO HB2 H 2.330 0.030 2 355 41 41 PRO HB3 H 1.943 0.030 2 356 41 41 PRO HD2 H 3.778 0.030 2 357 41 41 PRO HD3 H 3.917 0.030 2 358 41 41 PRO HG2 H 2.023 0.030 1 359 41 41 PRO HG3 H 2.023 0.030 1 360 41 41 PRO C C 179.511 0.300 1 361 41 41 PRO CA C 65.180 0.300 1 362 41 41 PRO CB C 30.693 0.300 1 363 41 41 PRO CD C 50.275 0.300 1 364 41 41 PRO CG C 28.400 0.300 1 365 42 42 CYS H H 6.718 0.030 1 366 42 42 CYS HA H 4.107 0.030 1 367 42 42 CYS HB2 H 2.794 0.030 2 368 42 42 CYS HB3 H 3.185 0.030 2 369 42 42 CYS C C 176.703 0.300 1 370 42 42 CYS CA C 63.757 0.300 1 371 42 42 CYS CB C 28.358 0.300 1 372 42 42 CYS N N 117.960 0.300 1 373 43 43 VAL H H 8.392 0.030 1 374 43 43 VAL HA H 3.559 0.030 1 375 43 43 VAL HB H 2.452 0.030 1 376 43 43 VAL HG1 H 1.255 0.030 1 377 43 43 VAL HG2 H 1.162 0.030 1 378 43 43 VAL C C 177.615 0.300 1 379 43 43 VAL CA C 66.431 0.300 1 380 43 43 VAL CB C 32.491 0.300 1 381 43 43 VAL CG1 C 22.603 0.300 2 382 43 43 VAL CG2 C 23.798 0.300 2 383 43 43 VAL N N 121.851 0.300 1 384 44 44 ALA H H 7.601 0.030 1 385 44 44 ALA HA H 3.952 0.030 1 386 44 44 ALA HB H 1.398 0.030 1 387 44 44 ALA C C 179.656 0.300 1 388 44 44 ALA CA C 54.933 0.300 1 389 44 44 ALA CB C 18.630 0.300 1 390 44 44 ALA N N 119.008 0.300 1 391 45 45 LYS H H 7.443 0.030 1 392 45 45 LYS HA H 4.063 0.030 1 393 45 45 LYS HB2 H 1.883 0.030 1 394 45 45 LYS HB3 H 1.883 0.030 1 395 45 45 LYS HD2 H 1.662 0.030 1 396 45 45 LYS HD3 H 1.662 0.030 1 397 45 45 LYS HE2 H 2.941 0.030 1 398 45 45 LYS HE3 H 2.941 0.030 1 399 45 45 LYS HG2 H 1.415 0.030 2 400 45 45 LYS HG3 H 1.482 0.030 2 401 45 45 LYS C C 178.590 0.300 1 402 45 45 LYS CA C 58.459 0.300 1 403 45 45 LYS CB C 33.038 0.300 1 404 45 45 LYS CD C 29.304 0.300 1 405 45 45 LYS CE C 42.133 0.300 1 406 45 45 LYS CG C 24.946 0.300 1 407 45 45 LYS N N 115.485 0.300 1 408 46 46 TYR H H 8.453 0.030 1 409 46 46 TYR HA H 3.960 0.030 1 410 46 46 TYR HB2 H 2.832 0.030 2 411 46 46 TYR HB3 H 2.217 0.030 2 412 46 46 TYR HD1 H 5.830 0.030 1 413 46 46 TYR HD2 H 5.830 0.030 1 414 46 46 TYR HE1 H 6.479 0.030 1 415 46 46 TYR HE2 H 6.479 0.030 1 416 46 46 TYR C C 177.875 0.300 1 417 46 46 TYR CA C 61.707 0.300 1 418 46 46 TYR CB C 39.031 0.300 1 419 46 46 TYR CD1 C 132.830 0.300 1 420 46 46 TYR CD2 C 132.830 0.300 1 421 46 46 TYR CE1 C 117.527 0.300 1 422 46 46 TYR CE2 C 117.527 0.300 1 423 46 46 TYR N N 120.541 0.300 1 424 47 47 PHE H H 7.948 0.030 1 425 47 47 PHE HA H 4.596 0.030 1 426 47 47 PHE HB2 H 3.412 0.030 2 427 47 47 PHE HB3 H 2.811 0.030 2 428 47 47 PHE HD1 H 7.222 0.030 1 429 47 47 PHE HD2 H 7.222 0.030 1 430 47 47 PHE HE1 H 6.673 0.030 1 431 47 47 PHE HE2 H 6.673 0.030 1 432 47 47 PHE HZ H 6.226 0.030 1 433 47 47 PHE C C 175.767 0.300 1 434 47 47 PHE CA C 57.865 0.300 1 435 47 47 PHE CB C 38.538 0.300 1 436 47 47 PHE CD1 C 131.471 0.300 1 437 47 47 PHE CD2 C 131.471 0.300 1 438 47 47 PHE CE1 C 131.277 0.300 1 439 47 47 PHE CE2 C 131.277 0.300 1 440 47 47 PHE CZ C 128.855 0.300 1 441 47 47 PHE N N 113.980 0.300 1 442 48 48 GLN H H 7.287 0.030 1 443 48 48 GLN HA H 4.119 0.030 1 444 48 48 GLN HB2 H 2.126 0.030 2 445 48 48 GLN HB3 H 2.269 0.030 2 446 48 48 GLN HE21 H 7.545 0.030 2 447 48 48 GLN HE22 H 6.868 0.030 2 448 48 48 GLN HG2 H 2.404 0.030 1 449 48 48 GLN HG3 H 2.404 0.030 1 450 48 48 GLN C C 176.591 0.300 1 451 48 48 GLN CA C 57.981 0.300 1 452 48 48 GLN CB C 28.563 0.300 1 453 48 48 GLN CG C 33.581 0.300 1 454 48 48 GLN N N 119.975 0.300 1 455 48 48 GLN NE2 N 112.125 0.300 1 456 49 49 SER H H 8.498 0.030 1 457 49 49 SER HA H 4.358 0.030 1 458 49 49 SER HB2 H 3.945 0.030 1 459 49 49 SER HB3 H 3.945 0.030 1 460 49 49 SER C C 173.319 0.300 1 461 49 49 SER CA C 58.546 0.300 1 462 49 49 SER CB C 63.061 0.300 1 463 49 49 SER N N 115.270 0.300 1 464 50 50 ASN H H 7.874 0.030 1 465 50 50 ASN HA H 4.666 0.030 1 466 50 50 ASN HB2 H 2.632 0.030 2 467 50 50 ASN HB3 H 2.842 0.030 2 468 50 50 ASN HD21 H 6.979 0.030 2 469 50 50 ASN HD22 H 7.488 0.030 2 470 50 50 ASN C C 174.664 0.300 1 471 50 50 ASN CA C 52.818 0.300 1 472 50 50 ASN CB C 39.223 0.300 1 473 50 50 ASN N N 119.466 0.300 1 474 50 50 ASN ND2 N 111.908 0.300 1 475 51 51 ALA H H 8.517 0.030 1 476 51 51 ALA HA H 4.295 0.030 1 477 51 51 ALA HB H 1.437 0.030 1 478 51 51 ALA C C 177.596 0.300 1 479 51 51 ALA CA C 52.999 0.300 1 480 51 51 ALA CB C 19.532 0.300 1 481 51 51 ALA N N 125.766 0.300 1 482 52 52 GLU H H 8.424 0.030 1 483 52 52 GLU HA H 4.616 0.030 1 484 52 52 GLU HB2 H 1.906 0.030 2 485 52 52 GLU HB3 H 2.085 0.030 2 486 52 52 GLU HG2 H 2.225 0.030 2 487 52 52 GLU HG3 H 2.290 0.030 2 488 52 52 GLU C C 172.798 0.300 1 489 52 52 GLU CA C 53.937 0.300 1 490 52 52 GLU CB C 30.874 0.300 1 491 52 52 GLU CG C 36.868 0.300 1 492 52 52 GLU N N 119.347 0.300 1 493 53 53 PRO HA H 4.100 0.030 1 494 53 53 PRO HB2 H 1.101 0.030 2 495 53 53 PRO HB3 H 1.352 0.030 2 496 53 53 PRO HD2 H 3.517 0.030 2 497 53 53 PRO HD3 H 3.583 0.030 2 498 53 53 PRO HG2 H 1.754 0.030 2 499 53 53 PRO HG3 H 2.108 0.030 2 500 53 53 PRO CA C 63.848 0.300 1 501 53 53 PRO CB C 31.346 0.300 1 502 53 53 PRO CD C 50.302 0.300 1 503 53 53 PRO CG C 27.658 0.300 1 504 54 54 ARG H H 8.137 0.030 1 505 54 54 ARG HA H 4.974 0.030 1 506 54 54 ARG HB2 H 1.440 0.030 2 507 54 54 ARG HB3 H 1.546 0.030 2 508 54 54 ARG HD2 H 3.025 0.030 2 509 54 54 ARG HD3 H 3.086 0.030 2 510 54 54 ARG HG2 H 1.231 0.030 2 511 54 54 ARG HG3 H 1.639 0.030 2 512 54 54 ARG C C 175.149 0.300 1 513 54 54 ARG CA C 53.942 0.300 1 514 54 54 ARG CB C 34.332 0.300 1 515 54 54 ARG CD C 42.863 0.300 1 516 54 54 ARG CG C 28.350 0.300 1 517 54 54 ARG N N 124.184 0.300 1 518 55 55 CYS H H 9.581 0.030 1 519 55 55 CYS HA H 4.711 0.030 1 520 55 55 CYS HB2 H 3.394 0.030 2 521 55 55 CYS HB3 H 3.456 0.030 2 522 55 55 CYS C C 176.700 0.300 1 523 55 55 CYS CA C 57.183 0.300 1 524 55 55 CYS CB C 32.265 0.300 1 525 55 55 CYS N N 125.468 0.300 1 526 56 56 PRO HA H 4.437 0.030 1 527 56 56 PRO HB2 H 2.081 0.030 2 528 56 56 PRO HB3 H 1.841 0.030 2 529 56 56 PRO HD2 H 3.320 0.030 2 530 56 56 PRO HD3 H 4.132 0.030 2 531 56 56 PRO HG2 H 1.234 0.030 2 532 56 56 PRO HG3 H 1.610 0.030 2 533 56 56 PRO C C 176.336 0.300 1 534 56 56 PRO CA C 64.087 0.300 1 535 56 56 PRO CB C 31.772 0.300 1 536 56 56 PRO CD C 51.393 0.300 1 537 56 56 PRO CG C 26.591 0.300 1 538 57 57 HIS H H 9.627 0.030 1 539 57 57 HIS HA H 4.793 0.030 1 540 57 57 HIS HB2 H 3.749 0.030 2 541 57 57 HIS HB3 H 2.874 0.030 2 542 57 57 HIS HD2 H 7.224 0.030 1 543 57 57 HIS C C 176.227 0.300 1 544 57 57 HIS CA C 58.557 0.300 1 545 57 57 HIS CB C 32.367 0.300 1 546 57 57 HIS CD2 C 121.311 0.300 1 547 57 57 HIS N N 122.790 0.300 1 548 58 58 CYS H H 8.921 0.030 1 549 58 58 CYS HA H 4.729 0.030 1 550 58 58 CYS HB2 H 3.300 0.030 2 551 58 58 CYS HB3 H 2.558 0.030 2 552 58 58 CYS C C 177.015 0.300 1 553 58 58 CYS CA C 59.265 0.300 1 554 58 58 CYS CB C 32.923 0.300 1 555 58 58 CYS N N 120.094 0.300 1 556 59 59 ASN H H 7.974 0.030 1 557 59 59 ASN HA H 4.677 0.030 1 558 59 59 ASN HB2 H 3.257 0.030 2 559 59 59 ASN HB3 H 2.621 0.030 2 560 59 59 ASN HD21 H 7.616 0.030 2 561 59 59 ASN HD22 H 6.851 0.030 2 562 59 59 ASN C C 175.195 0.300 1 563 59 59 ASN CA C 55.380 0.300 1 564 59 59 ASN CB C 40.262 0.300 1 565 59 59 ASN N N 119.692 0.300 1 566 59 59 ASN ND2 N 112.283 0.300 1 567 60 60 ASP H H 9.104 0.030 1 568 60 60 ASP HA H 4.757 0.030 1 569 60 60 ASP HB2 H 3.142 0.030 2 570 60 60 ASP HB3 H 2.555 0.030 2 571 60 60 ASP C C 175.173 0.300 1 572 60 60 ASP CA C 54.189 0.300 1 573 60 60 ASP CB C 41.163 0.300 1 574 60 60 ASP N N 122.757 0.300 1 575 61 61 TYR H H 8.400 0.030 1 576 61 61 TYR HA H 4.300 0.030 1 577 61 61 TYR HB2 H 2.778 0.030 2 578 61 61 TYR HB3 H 2.893 0.030 2 579 61 61 TYR HD1 H 7.053 0.030 1 580 61 61 TYR HD2 H 7.053 0.030 1 581 61 61 TYR HE1 H 6.756 0.030 1 582 61 61 TYR HE2 H 6.756 0.030 1 583 61 61 TYR C C 174.495 0.300 1 584 61 61 TYR CA C 59.645 0.300 1 585 61 61 TYR CB C 38.351 0.300 1 586 61 61 TYR CD1 C 132.940 0.300 1 587 61 61 TYR CD2 C 132.940 0.300 1 588 61 61 TYR CE1 C 118.205 0.300 1 589 61 61 TYR CE2 C 118.205 0.300 1 590 61 61 TYR N N 121.782 0.300 1 591 62 62 TRP H H 8.308 0.030 1 592 62 62 TRP HA H 4.900 0.030 1 593 62 62 TRP HB2 H 2.830 0.030 2 594 62 62 TRP HB3 H 2.520 0.030 2 595 62 62 TRP HD1 H 6.871 0.030 1 596 62 62 TRP HE1 H 10.585 0.030 1 597 62 62 TRP HE3 H 7.587 0.030 1 598 62 62 TRP HH2 H 6.924 0.030 1 599 62 62 TRP HZ2 H 7.480 0.030 1 600 62 62 TRP HZ3 H 7.435 0.030 1 601 62 62 TRP C C 180.165 0.300 1 602 62 62 TRP CA C 53.867 0.300 1 603 62 62 TRP CB C 30.184 0.300 1 604 62 62 TRP CD1 C 125.839 0.300 1 605 62 62 TRP CE3 C 119.947 0.300 1 606 62 62 TRP CH2 C 124.418 0.300 1 607 62 62 TRP CZ2 C 114.856 0.300 1 608 62 62 TRP CZ3 C 122.109 0.300 1 609 62 62 TRP N N 129.639 0.300 1 610 62 62 TRP NE1 N 129.169 0.300 1 611 63 63 PRO HA H 4.318 0.030 1 612 63 63 PRO HB2 H 1.801 0.030 2 613 63 63 PRO HB3 H 1.592 0.030 2 614 63 63 PRO HD2 H 3.824 0.030 2 615 63 63 PRO HD3 H 2.285 0.030 2 616 63 63 PRO HG2 H 0.519 0.030 1 617 63 63 PRO HG3 H 0.519 0.030 1 618 63 63 PRO C C 175.488 0.300 1 619 63 63 PRO CA C 63.727 0.300 1 620 63 63 PRO CB C 31.595 0.300 1 621 63 63 PRO CD C 50.248 0.300 1 622 63 63 PRO CG C 25.686 0.300 1 623 64 64 HIS H H 5.818 0.030 1 624 64 64 HIS HA H 4.540 0.030 1 625 64 64 HIS HB2 H 3.153 0.030 2 626 64 64 HIS HB3 H 2.713 0.030 2 627 64 64 HIS HD2 H 5.438 0.030 1 628 64 64 HIS HE1 H 7.750 0.030 1 629 64 64 HIS C C 174.907 0.300 1 630 64 64 HIS CA C 54.341 0.300 1 631 64 64 HIS CB C 32.237 0.300 1 632 64 64 HIS CD2 C 117.717 0.300 1 633 64 64 HIS CE1 C 139.735 0.300 1 634 64 64 HIS N N 118.117 0.300 1 635 65 65 GLU H H 8.732 0.030 1 636 65 65 GLU HA H 4.171 0.030 1 637 65 65 GLU HB2 H 1.925 0.030 1 638 65 65 GLU HB3 H 1.925 0.030 1 639 65 65 GLU HG2 H 2.136 0.030 2 640 65 65 GLU HG3 H 2.284 0.030 2 641 65 65 GLU C C 176.470 0.300 1 642 65 65 GLU CA C 56.743 0.300 1 643 65 65 GLU CB C 30.041 0.300 1 644 65 65 GLU CG C 36.177 0.300 1 645 65 65 GLU N N 121.789 0.300 1 646 66 66 ILE H H 8.745 0.030 1 647 66 66 ILE HA H 4.416 0.030 1 648 66 66 ILE HB H 1.964 0.030 1 649 66 66 ILE HD1 H 0.628 0.030 1 650 66 66 ILE HG12 H 1.374 0.030 2 651 66 66 ILE HG13 H 1.567 0.030 2 652 66 66 ILE HG2 H 1.002 0.030 1 653 66 66 ILE C C 174.882 0.300 1 654 66 66 ILE CA C 57.702 0.300 1 655 66 66 ILE CB C 37.727 0.300 1 656 66 66 ILE CD1 C 11.838 0.300 1 657 66 66 ILE CG1 C 27.167 0.300 1 658 66 66 ILE CG2 C 17.516 0.300 1 659 66 66 ILE N N 128.555 0.300 1 660 67 67 PRO HA H 4.448 0.030 1 661 67 67 PRO HB2 H 2.368 0.030 2 662 67 67 PRO HB3 H 1.857 0.030 2 663 67 67 PRO HD2 H 4.227 0.030 2 664 67 67 PRO HD3 H 3.446 0.030 2 665 67 67 PRO HG2 H 2.102 0.030 2 666 67 67 PRO HG3 H 2.011 0.030 2 667 67 67 PRO C C 175.949 0.300 1 668 67 67 PRO CA C 62.988 0.300 1 669 67 67 PRO CB C 32.087 0.300 1 670 67 67 PRO CD C 51.507 0.300 1 671 67 67 PRO CG C 27.877 0.300 1 672 68 68 LYS H H 8.409 0.030 1 673 68 68 LYS HA H 4.360 0.030 1 674 68 68 LYS HB2 H 1.873 0.030 2 675 68 68 LYS HB3 H 1.746 0.030 2 676 68 68 LYS HD2 H 1.692 0.030 1 677 68 68 LYS HD3 H 1.692 0.030 1 678 68 68 LYS HE2 H 3.001 0.030 1 679 68 68 LYS HE3 H 3.001 0.030 1 680 68 68 LYS HG2 H 1.478 0.030 2 681 68 68 LYS HG3 H 1.533 0.030 2 682 68 68 LYS C C 176.930 0.300 1 683 68 68 LYS CA C 55.822 0.300 1 684 68 68 LYS CB C 33.366 0.300 1 685 68 68 LYS CD C 28.976 0.300 1 686 68 68 LYS CE C 42.380 0.300 1 687 68 68 LYS CG C 24.880 0.300 1 688 68 68 LYS N N 121.181 0.300 1 689 69 69 SER H H 8.394 0.030 1 690 69 69 SER HA H 4.455 0.030 1 691 69 69 SER HB2 H 3.854 0.030 1 692 69 69 SER HB3 H 3.854 0.030 1 693 69 69 SER C C 174.507 0.300 1 694 69 69 SER CA C 58.164 0.300 1 695 69 69 SER CB C 64.050 0.300 1 696 69 69 SER N N 117.043 0.300 1 697 70 70 GLY H H 8.299 0.030 1 698 70 70 GLY HA2 H 4.080 0.030 2 699 70 70 GLY HA3 H 4.159 0.030 2 700 70 70 GLY C C 171.781 0.300 1 701 70 70 GLY CA C 44.648 0.300 1 702 70 70 GLY N N 110.732 0.300 1 703 71 71 PRO HA H 4.462 0.030 1 704 71 71 PRO HB2 H 2.280 0.030 2 705 71 71 PRO HB3 H 1.967 0.030 2 706 71 71 PRO HD2 H 3.614 0.030 1 707 71 71 PRO HD3 H 3.614 0.030 1 708 71 71 PRO HG2 H 2.002 0.030 1 709 71 71 PRO HG3 H 2.002 0.030 1 710 71 71 PRO C C 177.451 0.300 1 711 71 71 PRO CA C 63.265 0.300 1 712 71 71 PRO CB C 32.251 0.300 1 713 71 71 PRO CD C 49.751 0.300 1 714 71 71 PRO CG C 27.084 0.300 1 715 72 72 SER H H 8.556 0.030 1 716 72 72 SER C C 174.592 0.300 1 717 72 72 SER N N 116.362 0.300 1 stop_ save_