data_11313 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RING domain of the Zinc finger protein 183-like 1 ; _BMRB_accession_number 11313 _BMRB_flat_file_name bmr11313.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 Tomizawa T. . . 4 Saito K. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 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" 445 "13C chemical shifts" 330 "15N chemical shifts" 72 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 Zinc finger protein 183-like 1' _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 Tomizawa T. . . 4 Saito K. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 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 'Zinc finger protein 183-like 1' _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 81 _Mol_residue_sequence ; GSSGSSGGSEEEEIPFRCFI CRQAFQNPVVTKCRHYFCES CALEHFRATPRCYICDQPTG GIFNPAKELMAKLQKSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 SER 10 GLU 11 GLU 12 GLU 13 GLU 14 ILE 15 PRO 16 PHE 17 ARG 18 CYS 19 PHE 20 ILE 21 CYS 22 ARG 23 GLN 24 ALA 25 PHE 26 GLN 27 ASN 28 PRO 29 VAL 30 VAL 31 THR 32 LYS 33 CYS 34 ARG 35 HIS 36 TYR 37 PHE 38 CYS 39 GLU 40 SER 41 CYS 42 ALA 43 LEU 44 GLU 45 HIS 46 PHE 47 ARG 48 ALA 49 THR 50 PRO 51 ARG 52 CYS 53 TYR 54 ILE 55 CYS 56 ASP 57 GLN 58 PRO 59 THR 60 GLY 61 GLY 62 ILE 63 PHE 64 ASN 65 PRO 66 ALA 67 LYS 68 GLU 69 LEU 70 MET 71 ALA 72 LYS 73 LEU 74 GLN 75 LYS 76 SER 77 GLY 78 PRO 79 SER 80 SER 81 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 2CSY "Solution Structure Of The Ring Domain Of The Zinc Finger Protein 183-Like 1" 100.00 81 100.00 100.00 2.50e-51 GB EHH58672 "Zinc finger protein 183-like 1 [Macaca fascicularis]" 76.54 291 98.39 98.39 5.16e-36 REF XP_001089736 "PREDICTED: RING finger protein 113B-like [Macaca mulatta]" 76.54 338 98.39 98.39 1.24e-35 REF XP_005586186 "PREDICTED: RING finger protein 113B [Macaca fascicularis]" 76.54 338 98.39 98.39 1.24e-35 REF XP_011732534 "PREDICTED: RING finger protein 113B isoform X1 [Macaca nemestrina]" 76.54 362 98.39 98.39 9.81e-36 REF XP_011732543 "PREDICTED: RING finger protein 113B isoform X2 [Macaca nemestrina]" 76.54 335 98.39 98.39 5.71e-36 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 P041206-06 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.47mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 0.05mM {EDTA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.47 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' EDTA 0.05 mM '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 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 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 '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 6 6 SER HA H 4.511 0.030 1 2 6 6 SER HB2 H 3.910 0.030 1 3 6 6 SER HB3 H 3.910 0.030 1 4 6 6 SER C C 175.117 0.300 1 5 6 6 SER CA C 58.473 0.300 1 6 6 6 SER CB C 63.722 0.300 1 7 7 7 GLY H H 8.458 0.030 1 8 7 7 GLY HA2 H 4.001 0.030 1 9 7 7 GLY HA3 H 4.001 0.030 1 10 7 7 GLY C C 174.663 0.300 1 11 7 7 GLY CA C 45.431 0.300 1 12 7 7 GLY N N 110.894 0.300 1 13 8 8 GLY H H 8.310 0.030 1 14 8 8 GLY HA2 H 4.023 0.030 1 15 8 8 GLY HA3 H 4.023 0.030 1 16 8 8 GLY C C 174.342 0.300 1 17 8 8 GLY CA C 45.212 0.300 1 18 8 8 GLY N N 109.059 0.300 1 19 9 9 SER H H 8.301 0.030 1 20 9 9 SER HA H 4.479 0.030 1 21 9 9 SER HB2 H 3.878 0.030 1 22 9 9 SER HB3 H 3.878 0.030 1 23 9 9 SER C C 174.823 0.300 1 24 9 9 SER CA C 58.331 0.300 1 25 9 9 SER CB C 63.834 0.300 1 26 9 9 SER N N 115.793 0.300 1 27 10 10 GLU H H 8.646 0.030 1 28 10 10 GLU HA H 4.272 0.030 1 29 10 10 GLU HB2 H 2.059 0.030 2 30 10 10 GLU HB3 H 1.914 0.030 2 31 10 10 GLU HG2 H 2.251 0.030 1 32 10 10 GLU HG3 H 2.251 0.030 1 33 10 10 GLU C C 176.645 0.300 1 34 10 10 GLU CA C 56.991 0.300 1 35 10 10 GLU CB C 29.967 0.300 1 36 10 10 GLU CG C 36.329 0.300 1 37 10 10 GLU N N 122.752 0.300 1 38 11 11 GLU H H 8.351 0.030 1 39 11 11 GLU HA H 4.252 0.030 1 40 11 11 GLU HB2 H 2.017 0.030 2 41 11 11 GLU HB3 H 1.886 0.030 2 42 11 11 GLU HG2 H 2.228 0.030 1 43 11 11 GLU HG3 H 2.228 0.030 1 44 11 11 GLU C C 176.397 0.300 1 45 11 11 GLU CA C 56.541 0.300 1 46 11 11 GLU CB C 30.376 0.300 1 47 11 11 GLU CG C 36.326 0.300 1 48 11 11 GLU N N 121.208 0.300 1 49 12 12 GLU H H 8.309 0.030 1 50 12 12 GLU HA H 4.252 0.030 1 51 12 12 GLU HB2 H 2.016 0.030 2 52 12 12 GLU HB3 H 1.918 0.030 2 53 12 12 GLU HG2 H 2.248 0.030 1 54 12 12 GLU HG3 H 2.248 0.030 1 55 12 12 GLU C C 176.204 0.300 1 56 12 12 GLU CA C 56.399 0.300 1 57 12 12 GLU CB C 30.596 0.300 1 58 12 12 GLU CG C 36.329 0.300 1 59 12 12 GLU N N 122.062 0.300 1 60 13 13 GLU H H 8.440 0.030 1 61 13 13 GLU HA H 4.250 0.030 1 62 13 13 GLU HB2 H 1.972 0.030 2 63 13 13 GLU HB3 H 1.935 0.030 2 64 13 13 GLU HG2 H 2.181 0.030 2 65 13 13 GLU HG3 H 2.260 0.030 2 66 13 13 GLU C C 176.124 0.300 1 67 13 13 GLU CA C 56.408 0.300 1 68 13 13 GLU CB C 30.399 0.300 1 69 13 13 GLU CG C 36.324 0.300 1 70 13 13 GLU N N 123.226 0.300 1 71 14 14 ILE H H 8.214 0.030 1 72 14 14 ILE HA H 4.297 0.030 1 73 14 14 ILE HB H 1.655 0.030 1 74 14 14 ILE HD1 H 0.679 0.030 1 75 14 14 ILE HG12 H 1.014 0.030 2 76 14 14 ILE HG13 H 1.381 0.030 2 77 14 14 ILE HG2 H 0.628 0.030 1 78 14 14 ILE C C 174.012 0.300 1 79 14 14 ILE CA C 58.320 0.300 1 80 14 14 ILE CB C 38.485 0.300 1 81 14 14 ILE CD1 C 12.956 0.300 1 82 14 14 ILE CG1 C 26.843 0.300 1 83 14 14 ILE CG2 C 17.324 0.300 1 84 14 14 ILE N N 124.334 0.300 1 85 15 15 PRO HA H 4.489 0.030 1 86 15 15 PRO HB2 H 2.338 0.030 2 87 15 15 PRO HB3 H 1.972 0.030 2 88 15 15 PRO HD2 H 3.769 0.030 2 89 15 15 PRO HD3 H 3.336 0.030 2 90 15 15 PRO HG2 H 2.112 0.030 2 91 15 15 PRO HG3 H 1.921 0.030 2 92 15 15 PRO C C 175.242 0.300 1 93 15 15 PRO CA C 62.772 0.300 1 94 15 15 PRO CB C 32.412 0.300 1 95 15 15 PRO CD C 50.723 0.300 1 96 15 15 PRO CG C 27.366 0.300 1 97 16 16 PHE H H 8.208 0.030 1 98 16 16 PHE HA H 4.821 0.030 1 99 16 16 PHE HB2 H 3.102 0.030 2 100 16 16 PHE HB3 H 3.043 0.030 2 101 16 16 PHE HD1 H 7.245 0.030 1 102 16 16 PHE HD2 H 7.245 0.030 1 103 16 16 PHE HE1 H 7.290 0.030 1 104 16 16 PHE HE2 H 7.290 0.030 1 105 16 16 PHE HZ H 7.229 0.030 1 106 16 16 PHE C C 175.084 0.300 1 107 16 16 PHE CA C 57.035 0.300 1 108 16 16 PHE CB C 40.195 0.300 1 109 16 16 PHE CD1 C 131.887 0.300 1 110 16 16 PHE CD2 C 131.887 0.300 1 111 16 16 PHE CE1 C 131.655 0.300 1 112 16 16 PHE CE2 C 131.655 0.300 1 113 16 16 PHE CZ C 129.790 0.300 1 114 16 16 PHE N N 115.396 0.300 1 115 17 17 ARG H H 7.309 0.030 1 116 17 17 ARG HA H 3.768 0.030 1 117 17 17 ARG HB2 H 1.103 0.030 2 118 17 17 ARG HB3 H 1.037 0.030 2 119 17 17 ARG HD2 H 2.726 0.030 2 120 17 17 ARG HD3 H 2.765 0.030 2 121 17 17 ARG HG2 H 0.942 0.030 2 122 17 17 ARG HG3 H 1.031 0.030 2 123 17 17 ARG C C 173.149 0.300 1 124 17 17 ARG CA C 53.177 0.300 1 125 17 17 ARG CB C 33.113 0.300 1 126 17 17 ARG CD C 43.256 0.300 1 127 17 17 ARG CG C 26.521 0.300 1 128 17 17 ARG N N 118.348 0.300 1 129 18 18 CYS H H 7.536 0.030 1 130 18 18 CYS HA H 4.025 0.030 1 131 18 18 CYS HB2 H 2.843 0.030 2 132 18 18 CYS HB3 H 3.284 0.030 2 133 18 18 CYS C C 178.200 0.300 1 134 18 18 CYS CA C 59.095 0.300 1 135 18 18 CYS CB C 32.561 0.300 1 136 18 18 CYS N N 124.939 0.300 1 137 19 19 PHE H H 9.273 0.030 1 138 19 19 PHE HA H 4.237 0.030 1 139 19 19 PHE HB2 H 3.157 0.030 2 140 19 19 PHE HB3 H 3.397 0.030 2 141 19 19 PHE HD1 H 7.372 0.030 1 142 19 19 PHE HD2 H 7.372 0.030 1 143 19 19 PHE HE1 H 7.453 0.030 1 144 19 19 PHE HE2 H 7.453 0.030 1 145 19 19 PHE HZ H 7.398 0.030 1 146 19 19 PHE C C 176.011 0.300 1 147 19 19 PHE CA C 60.177 0.300 1 148 19 19 PHE CB C 40.078 0.300 1 149 19 19 PHE CD1 C 131.468 0.300 1 150 19 19 PHE CD2 C 131.468 0.300 1 151 19 19 PHE CE1 C 131.481 0.300 1 152 19 19 PHE CE2 C 131.481 0.300 1 153 19 19 PHE CZ C 130.186 0.300 1 154 19 19 PHE N N 130.174 0.300 1 155 20 20 ILE H H 8.825 0.030 1 156 20 20 ILE HA H 3.276 0.030 1 157 20 20 ILE HB H 1.661 0.030 1 158 20 20 ILE HD1 H -0.026 0.030 1 159 20 20 ILE HG12 H 1.180 0.030 2 160 20 20 ILE HG13 H -0.970 0.030 2 161 20 20 ILE HG2 H 0.598 0.030 1 162 20 20 ILE C C 176.789 0.300 1 163 20 20 ILE CA C 65.580 0.300 1 164 20 20 ILE CB C 37.885 0.300 1 165 20 20 ILE CD1 C 13.203 0.300 1 166 20 20 ILE CG1 C 27.955 0.300 1 167 20 20 ILE CG2 C 16.149 0.300 1 168 20 20 ILE N N 118.503 0.300 1 169 21 21 CYS H H 7.978 0.030 1 170 21 21 CYS HA H 4.639 0.030 1 171 21 21 CYS HB2 H 3.282 0.030 2 172 21 21 CYS HB3 H 3.059 0.030 2 173 21 21 CYS C C 176.576 0.300 1 174 21 21 CYS CA C 58.890 0.300 1 175 21 21 CYS CB C 31.601 0.300 1 176 21 21 CYS N N 117.565 0.300 1 177 22 22 ARG H H 8.053 0.030 1 178 22 22 ARG HA H 3.848 0.030 1 179 22 22 ARG HB2 H 2.072 0.030 2 180 22 22 ARG HB3 H 1.880 0.030 2 181 22 22 ARG HD2 H 2.996 0.030 2 182 22 22 ARG HD3 H 3.045 0.030 2 183 22 22 ARG HG2 H 1.414 0.030 2 184 22 22 ARG HG3 H 1.298 0.030 2 185 22 22 ARG C C 174.910 0.300 1 186 22 22 ARG CA C 57.582 0.300 1 187 22 22 ARG CB C 26.137 0.300 1 188 22 22 ARG CD C 42.960 0.300 1 189 22 22 ARG CG C 27.482 0.300 1 190 22 22 ARG N N 117.765 0.300 1 191 23 23 GLN H H 8.334 0.030 1 192 23 23 GLN HA H 4.512 0.030 1 193 23 23 GLN HB2 H 2.292 0.030 2 194 23 23 GLN HB3 H 2.174 0.030 2 195 23 23 GLN HE21 H 7.365 0.030 2 196 23 23 GLN HE22 H 6.805 0.030 2 197 23 23 GLN HG2 H 2.338 0.030 2 198 23 23 GLN HG3 H 2.228 0.030 2 199 23 23 GLN C C 174.580 0.300 1 200 23 23 GLN CA C 53.259 0.300 1 201 23 23 GLN CB C 31.588 0.300 1 202 23 23 GLN CG C 33.699 0.300 1 203 23 23 GLN N N 119.369 0.300 1 204 23 23 GLN NE2 N 112.961 0.300 1 205 24 24 ALA H H 8.131 0.030 1 206 24 24 ALA HA H 4.112 0.030 1 207 24 24 ALA HB H 1.330 0.030 1 208 24 24 ALA C C 177.585 0.300 1 209 24 24 ALA CA C 52.656 0.300 1 210 24 24 ALA CB C 18.434 0.300 1 211 24 24 ALA N N 121.426 0.300 1 212 25 25 PHE H H 7.113 0.030 1 213 25 25 PHE HA H 4.636 0.030 1 214 25 25 PHE HB2 H 2.708 0.030 2 215 25 25 PHE HB3 H 2.539 0.030 2 216 25 25 PHE HD1 H 7.126 0.030 1 217 25 25 PHE HD2 H 7.126 0.030 1 218 25 25 PHE HE1 H 6.949 0.030 1 219 25 25 PHE HE2 H 6.949 0.030 1 220 25 25 PHE HZ H 6.792 0.030 1 221 25 25 PHE C C 177.378 0.300 1 222 25 25 PHE CA C 59.534 0.300 1 223 25 25 PHE CB C 41.516 0.300 1 224 25 25 PHE CD1 C 131.268 0.300 1 225 25 25 PHE CD2 C 131.268 0.300 1 226 25 25 PHE CE1 C 130.919 0.300 1 227 25 25 PHE CE2 C 130.919 0.300 1 228 25 25 PHE CZ C 130.800 0.300 1 229 25 25 PHE N N 115.603 0.300 1 230 26 26 GLN H H 8.537 0.030 1 231 26 26 GLN HA H 4.604 0.030 1 232 26 26 GLN HB2 H 2.104 0.030 1 233 26 26 GLN HB3 H 2.104 0.030 1 234 26 26 GLN HE21 H 7.659 0.030 2 235 26 26 GLN HE22 H 6.816 0.030 2 236 26 26 GLN HG2 H 2.336 0.030 2 237 26 26 GLN HG3 H 2.458 0.030 2 238 26 26 GLN C C 176.163 0.300 1 239 26 26 GLN CA C 54.787 0.300 1 240 26 26 GLN CB C 30.021 0.300 1 241 26 26 GLN CG C 33.716 0.300 1 242 26 26 GLN N N 122.752 0.300 1 243 26 26 GLN NE2 N 112.710 0.300 1 244 27 27 ASN H H 9.559 0.030 1 245 27 27 ASN HA H 4.505 0.030 1 246 27 27 ASN HB2 H 2.970 0.030 2 247 27 27 ASN HB3 H 3.086 0.030 2 248 27 27 ASN HD21 H 7.639 0.030 2 249 27 27 ASN HD22 H 6.855 0.030 2 250 27 27 ASN C C 171.194 0.300 1 251 27 27 ASN CA C 53.756 0.300 1 252 27 27 ASN CB C 37.539 0.300 1 253 27 27 ASN N N 122.078 0.300 1 254 27 27 ASN ND2 N 113.417 0.300 1 255 28 28 PRO HA H 4.818 0.030 1 256 28 28 PRO HB2 H 1.396 0.030 2 257 28 28 PRO HB3 H 1.341 0.030 2 258 28 28 PRO HD2 H 3.301 0.030 2 259 28 28 PRO HD3 H 3.866 0.030 2 260 28 28 PRO HG2 H 1.639 0.030 2 261 28 28 PRO HG3 H 1.927 0.030 2 262 28 28 PRO C C 176.874 0.300 1 263 28 28 PRO CA C 62.417 0.300 1 264 28 28 PRO CB C 31.430 0.300 1 265 28 28 PRO CD C 50.373 0.300 1 266 28 28 PRO CG C 27.378 0.300 1 267 29 29 VAL H H 9.538 0.030 1 268 29 29 VAL HA H 5.143 0.030 1 269 29 29 VAL HB H 1.896 0.030 1 270 29 29 VAL HG1 H 0.844 0.030 1 271 29 29 VAL HG2 H 0.781 0.030 1 272 29 29 VAL C C 173.026 0.300 1 273 29 29 VAL CA C 58.320 0.300 1 274 29 29 VAL CB C 36.233 0.300 1 275 29 29 VAL CG1 C 21.097 0.300 2 276 29 29 VAL CG2 C 18.108 0.300 2 277 29 29 VAL N N 116.418 0.300 1 278 30 30 VAL H H 9.329 0.030 1 279 30 30 VAL HA H 5.368 0.030 1 280 30 30 VAL HB H 1.547 0.030 1 281 30 30 VAL HG1 H 0.802 0.030 1 282 30 30 VAL HG2 H 0.371 0.030 1 283 30 30 VAL C C 175.519 0.300 1 284 30 30 VAL CA C 57.568 0.300 1 285 30 30 VAL CB C 36.363 0.300 1 286 30 30 VAL CG1 C 18.440 0.300 2 287 30 30 VAL CG2 C 21.099 0.300 2 288 30 30 VAL N N 118.662 0.300 1 289 31 31 THR H H 8.668 0.030 1 290 31 31 THR HA H 4.770 0.030 1 291 31 31 THR HB H 4.991 0.030 1 292 31 31 THR HG2 H 1.707 0.030 1 293 31 31 THR C C 179.049 0.300 1 294 31 31 THR CA C 60.913 0.300 1 295 31 31 THR CB C 71.056 0.300 1 296 31 31 THR CG2 C 23.079 0.300 1 297 31 31 THR N N 117.946 0.300 1 298 32 32 LYS H H 10.474 0.030 1 299 32 32 LYS HA H 4.007 0.030 1 300 32 32 LYS HB2 H 1.927 0.030 2 301 32 32 LYS HB3 H 1.810 0.030 2 302 32 32 LYS HD2 H 1.613 0.030 1 303 32 32 LYS HD3 H 1.613 0.030 1 304 32 32 LYS HE2 H 2.888 0.030 1 305 32 32 LYS HE3 H 2.888 0.030 1 306 32 32 LYS HG2 H 1.537 0.030 2 307 32 32 LYS HG3 H 1.464 0.030 2 308 32 32 LYS C C 176.959 0.300 1 309 32 32 LYS CA C 59.310 0.300 1 310 32 32 LYS CB C 31.740 0.300 1 311 32 32 LYS CD C 29.331 0.300 1 312 32 32 LYS CE C 41.637 0.300 1 313 32 32 LYS CG C 24.814 0.300 1 314 32 32 LYS N N 123.906 0.300 1 315 33 33 CYS H H 7.499 0.030 1 316 33 33 CYS HA H 4.347 0.030 1 317 33 33 CYS HB2 H 2.581 0.030 2 318 33 33 CYS HB3 H 3.200 0.030 2 319 33 33 CYS C C 172.013 0.300 1 320 33 33 CYS CA C 55.469 0.300 1 321 33 33 CYS CB C 28.404 0.300 1 322 33 33 CYS N N 113.438 0.300 1 323 34 34 ARG H H 7.689 0.030 1 324 34 34 ARG HA H 3.106 0.030 1 325 34 34 ARG HB2 H 1.796 0.030 2 326 34 34 ARG HB3 H 1.646 0.030 2 327 34 34 ARG HD2 H 3.060 0.030 1 328 34 34 ARG HD3 H 3.060 0.030 1 329 34 34 ARG HG2 H 1.366 0.030 1 330 34 34 ARG HG3 H 1.366 0.030 1 331 34 34 ARG C C 172.458 0.300 1 332 34 34 ARG CA C 56.080 0.300 1 333 34 34 ARG CB C 25.681 0.300 1 334 34 34 ARG CD C 42.939 0.300 1 335 34 34 ARG CG C 27.377 0.300 1 336 34 34 ARG N N 116.281 0.300 1 337 35 35 HIS H H 7.597 0.030 1 338 35 35 HIS HA H 4.801 0.030 1 339 35 35 HIS HB2 H 3.002 0.030 2 340 35 35 HIS HB3 H 2.816 0.030 2 341 35 35 HIS HD2 H 7.329 0.030 1 342 35 35 HIS HE1 H 7.799 0.030 1 343 35 35 HIS C C 172.313 0.300 1 344 35 35 HIS CA C 56.581 0.300 1 345 35 35 HIS CB C 33.496 0.300 1 346 35 35 HIS CD2 C 119.598 0.300 1 347 35 35 HIS CE1 C 138.676 0.300 1 348 35 35 HIS N N 117.631 0.300 1 349 36 36 TYR H H 8.126 0.030 1 350 36 36 TYR HA H 5.411 0.030 1 351 36 36 TYR HB2 H 2.144 0.030 2 352 36 36 TYR HB3 H 2.495 0.030 2 353 36 36 TYR HD1 H 6.748 0.030 1 354 36 36 TYR HD2 H 6.748 0.030 1 355 36 36 TYR HE1 H 6.550 0.030 1 356 36 36 TYR HE2 H 6.550 0.030 1 357 36 36 TYR C C 174.373 0.300 1 358 36 36 TYR CA C 56.606 0.300 1 359 36 36 TYR CB C 41.953 0.300 1 360 36 36 TYR CD1 C 133.182 0.300 1 361 36 36 TYR CD2 C 133.182 0.300 1 362 36 36 TYR CE1 C 117.722 0.300 1 363 36 36 TYR CE2 C 117.722 0.300 1 364 36 36 TYR N N 119.655 0.300 1 365 37 37 PHE H H 8.496 0.030 1 366 37 37 PHE HA H 5.824 0.030 1 367 37 37 PHE HB2 H 3.394 0.030 2 368 37 37 PHE HB3 H 2.295 0.030 2 369 37 37 PHE HD1 H 7.274 0.030 1 370 37 37 PHE HD2 H 7.274 0.030 1 371 37 37 PHE HE1 H 7.392 0.030 1 372 37 37 PHE HE2 H 7.392 0.030 1 373 37 37 PHE HZ H 7.288 0.030 1 374 37 37 PHE C C 175.313 0.300 1 375 37 37 PHE CA C 55.538 0.300 1 376 37 37 PHE CB C 46.419 0.300 1 377 37 37 PHE CD1 C 133.536 0.300 1 378 37 37 PHE CD2 C 133.536 0.300 1 379 37 37 PHE CE1 C 131.574 0.300 1 380 37 37 PHE CE2 C 131.574 0.300 1 381 37 37 PHE CZ C 130.630 0.300 1 382 37 37 PHE N N 115.153 0.300 1 383 38 38 CYS H H 9.250 0.030 1 384 38 38 CYS HA H 4.201 0.030 1 385 38 38 CYS HB2 H 3.757 0.030 2 386 38 38 CYS HB3 H 3.376 0.030 2 387 38 38 CYS C C 177.668 0.300 1 388 38 38 CYS CA C 62.022 0.300 1 389 38 38 CYS CB C 31.842 0.300 1 390 38 38 CYS N N 124.239 0.300 1 391 39 39 GLU H H 8.324 0.030 1 392 39 39 GLU HA H 3.702 0.030 1 393 39 39 GLU HB2 H 2.134 0.030 2 394 39 39 GLU HB3 H 2.709 0.030 2 395 39 39 GLU HG2 H 2.060 0.030 1 396 39 39 GLU HG3 H 2.060 0.030 1 397 39 39 GLU C C 178.143 0.300 1 398 39 39 GLU CA C 61.544 0.300 1 399 39 39 GLU CB C 29.876 0.300 1 400 39 39 GLU CG C 36.672 0.300 1 401 39 39 GLU N N 124.832 0.300 1 402 40 40 SER H H 9.129 0.030 1 403 40 40 SER HA H 4.063 0.030 1 404 40 40 SER HB2 H 3.932 0.030 1 405 40 40 SER HB3 H 3.932 0.030 1 406 40 40 SER C C 177.644 0.300 1 407 40 40 SER CA C 61.575 0.300 1 408 40 40 SER CB C 62.129 0.300 1 409 40 40 SER N N 111.494 0.300 1 410 41 41 CYS H H 6.912 0.030 1 411 41 41 CYS HA H 3.893 0.030 1 412 41 41 CYS HB2 H 2.903 0.030 2 413 41 41 CYS HB3 H 2.806 0.030 2 414 41 41 CYS C C 177.606 0.300 1 415 41 41 CYS CA C 63.425 0.300 1 416 41 41 CYS CB C 29.550 0.300 1 417 41 41 CYS N N 122.064 0.300 1 418 42 42 ALA H H 8.431 0.030 1 419 42 42 ALA HA H 3.332 0.030 1 420 42 42 ALA HB H 0.697 0.030 1 421 42 42 ALA C C 180.354 0.300 1 422 42 42 ALA CA C 54.693 0.300 1 423 42 42 ALA CB C 17.172 0.300 1 424 42 42 ALA N N 121.200 0.300 1 425 43 43 LEU H H 8.229 0.030 1 426 43 43 LEU HA H 3.873 0.030 1 427 43 43 LEU HB2 H 1.433 0.030 2 428 43 43 LEU HB3 H 1.792 0.030 2 429 43 43 LEU HD1 H 0.816 0.030 1 430 43 43 LEU HD2 H 0.731 0.030 1 431 43 43 LEU HG H 1.694 0.030 1 432 43 43 LEU C C 179.711 0.300 1 433 43 43 LEU CA C 57.715 0.300 1 434 43 43 LEU CB C 41.010 0.300 1 435 43 43 LEU CD1 C 25.180 0.300 2 436 43 43 LEU CD2 C 22.447 0.300 2 437 43 43 LEU CG C 26.870 0.300 1 438 43 43 LEU N N 118.321 0.300 1 439 44 44 GLU H H 8.069 0.030 1 440 44 44 GLU HA H 4.058 0.030 1 441 44 44 GLU HB2 H 2.134 0.030 2 442 44 44 GLU HB3 H 2.068 0.030 2 443 44 44 GLU HG2 H 2.286 0.030 2 444 44 44 GLU HG3 H 2.255 0.030 2 445 44 44 GLU C C 179.680 0.300 1 446 44 44 GLU CA C 59.093 0.300 1 447 44 44 GLU CB C 29.042 0.300 1 448 44 44 GLU CG C 35.822 0.300 1 449 44 44 GLU N N 120.289 0.300 1 450 45 45 HIS H H 8.051 0.030 1 451 45 45 HIS HA H 4.400 0.030 1 452 45 45 HIS HB2 H 2.902 0.030 2 453 45 45 HIS HB3 H 3.255 0.030 2 454 45 45 HIS HD2 H 7.263 0.030 1 455 45 45 HIS HE1 H 7.952 0.030 1 456 45 45 HIS C C 176.648 0.300 1 457 45 45 HIS CA C 60.365 0.300 1 458 45 45 HIS CB C 29.920 0.300 1 459 45 45 HIS CD2 C 119.504 0.300 1 460 45 45 HIS CE1 C 138.493 0.300 1 461 45 45 HIS N N 121.012 0.300 1 462 46 46 PHE H H 8.038 0.030 1 463 46 46 PHE HA H 4.820 0.030 1 464 46 46 PHE HB2 H 3.093 0.030 2 465 46 46 PHE HB3 H 3.354 0.030 2 466 46 46 PHE HD1 H 7.430 0.030 1 467 46 46 PHE HD2 H 7.430 0.030 1 468 46 46 PHE HE1 H 7.247 0.030 1 469 46 46 PHE HE2 H 7.247 0.030 1 470 46 46 PHE HZ H 7.196 0.030 1 471 46 46 PHE C C 175.894 0.300 1 472 46 46 PHE CA C 58.819 0.300 1 473 46 46 PHE CB C 39.604 0.300 1 474 46 46 PHE CD1 C 132.141 0.300 1 475 46 46 PHE CD2 C 132.141 0.300 1 476 46 46 PHE CE1 C 130.961 0.300 1 477 46 46 PHE CE2 C 130.961 0.300 1 478 46 46 PHE CZ C 129.874 0.300 1 479 46 46 PHE N N 117.767 0.300 1 480 47 47 ARG H H 7.355 0.030 1 481 47 47 ARG HA H 3.799 0.030 1 482 47 47 ARG HB2 H 1.830 0.030 2 483 47 47 ARG HB3 H 1.873 0.030 2 484 47 47 ARG HD2 H 3.213 0.030 1 485 47 47 ARG HD3 H 3.213 0.030 1 486 47 47 ARG HG2 H 1.616 0.030 2 487 47 47 ARG HG3 H 1.953 0.030 2 488 47 47 ARG C C 177.660 0.300 1 489 47 47 ARG CA C 58.763 0.300 1 490 47 47 ARG CB C 30.210 0.300 1 491 47 47 ARG CD C 43.716 0.300 1 492 47 47 ARG CG C 28.082 0.300 1 493 47 47 ARG N N 115.842 0.300 1 494 48 48 ALA H H 7.362 0.030 1 495 48 48 ALA HA H 4.232 0.030 1 496 48 48 ALA HB H 1.370 0.030 1 497 48 48 ALA C C 177.731 0.300 1 498 48 48 ALA CA C 53.141 0.300 1 499 48 48 ALA CB C 19.628 0.300 1 500 48 48 ALA N N 120.065 0.300 1 501 49 49 THR H H 8.057 0.030 1 502 49 49 THR HA H 4.759 0.030 1 503 49 49 THR HB H 4.128 0.030 1 504 49 49 THR HG2 H 0.759 0.030 1 505 49 49 THR C C 170.716 0.300 1 506 49 49 THR CA C 56.872 0.300 1 507 49 49 THR CB C 69.219 0.300 1 508 49 49 THR CG2 C 19.768 0.300 1 509 49 49 THR N N 115.508 0.300 1 510 50 50 PRO HA H 4.823 0.030 1 511 50 50 PRO HB2 H 2.170 0.030 2 512 50 50 PRO HB3 H 2.313 0.030 2 513 50 50 PRO HD2 H 3.520 0.030 2 514 50 50 PRO HD3 H 3.819 0.030 2 515 50 50 PRO HG2 H 1.775 0.030 2 516 50 50 PRO HG3 H 1.971 0.030 2 517 50 50 PRO C C 177.637 0.300 1 518 50 50 PRO CA C 63.160 0.300 1 519 50 50 PRO CB C 31.996 0.300 1 520 50 50 PRO CD C 51.002 0.300 1 521 50 50 PRO CG C 26.761 0.300 1 522 51 51 ARG H H 7.782 0.030 1 523 51 51 ARG HA H 4.386 0.030 1 524 51 51 ARG HB2 H 1.638 0.030 2 525 51 51 ARG HB3 H 1.492 0.030 2 526 51 51 ARG HD2 H 3.168 0.030 2 527 51 51 ARG HD3 H 3.084 0.030 2 528 51 51 ARG HG2 H 1.188 0.030 2 529 51 51 ARG HG3 H 1.496 0.030 2 530 51 51 ARG C C 176.209 0.300 1 531 51 51 ARG CA C 56.247 0.300 1 532 51 51 ARG CB C 31.790 0.300 1 533 51 51 ARG CD C 42.582 0.300 1 534 51 51 ARG CG C 28.972 0.300 1 535 51 51 ARG N N 122.726 0.300 1 536 52 52 CYS H H 9.032 0.030 1 537 52 52 CYS HA H 4.359 0.030 1 538 52 52 CYS HB2 H 3.064 0.030 2 539 52 52 CYS HB3 H 3.282 0.030 2 540 52 52 CYS C C 177.804 0.300 1 541 52 52 CYS CA C 59.748 0.300 1 542 52 52 CYS CB C 31.762 0.300 1 543 52 52 CYS N N 126.049 0.300 1 544 53 53 TYR H H 9.287 0.030 1 545 53 53 TYR HA H 3.745 0.030 1 546 53 53 TYR HB2 H 2.133 0.030 2 547 53 53 TYR HB3 H 2.425 0.030 2 548 53 53 TYR HD1 H 6.317 0.030 1 549 53 53 TYR HD2 H 6.317 0.030 1 550 53 53 TYR HE1 H 6.765 0.030 1 551 53 53 TYR HE2 H 6.765 0.030 1 552 53 53 TYR C C 176.410 0.300 1 553 53 53 TYR CA C 61.727 0.300 1 554 53 53 TYR CB C 40.533 0.300 1 555 53 53 TYR CD1 C 133.086 0.300 1 556 53 53 TYR CD2 C 133.086 0.300 1 557 53 53 TYR CE1 C 118.430 0.300 1 558 53 53 TYR CE2 C 118.430 0.300 1 559 53 53 TYR N N 131.541 0.300 1 560 54 54 ILE H H 9.082 0.030 1 561 54 54 ILE HA H 3.770 0.030 1 562 54 54 ILE HB H 1.096 0.030 1 563 54 54 ILE HD1 H 0.629 0.030 1 564 54 54 ILE HG12 H 0.775 0.030 2 565 54 54 ILE HG13 H 1.706 0.030 2 566 54 54 ILE HG2 H 0.178 0.030 1 567 54 54 ILE C C 177.115 0.300 1 568 54 54 ILE CA C 63.787 0.300 1 569 54 54 ILE CB C 39.383 0.300 1 570 54 54 ILE CD1 C 13.075 0.300 1 571 54 54 ILE CG1 C 29.313 0.300 1 572 54 54 ILE CG2 C 15.302 0.300 1 573 54 54 ILE N N 117.151 0.300 1 574 55 55 CYS H H 7.856 0.030 1 575 55 55 CYS HA H 4.970 0.030 1 576 55 55 CYS HB2 H 2.551 0.030 2 577 55 55 CYS HB3 H 3.432 0.030 2 578 55 55 CYS C C 176.243 0.300 1 579 55 55 CYS CA C 58.727 0.300 1 580 55 55 CYS CB C 33.066 0.300 1 581 55 55 CYS N N 117.300 0.300 1 582 56 56 ASP H H 8.362 0.030 1 583 56 56 ASP HA H 4.618 0.030 1 584 56 56 ASP HB2 H 2.558 0.030 2 585 56 56 ASP HB3 H 3.026 0.030 2 586 56 56 ASP C C 175.154 0.300 1 587 56 56 ASP CA C 56.466 0.300 1 588 56 56 ASP CB C 42.240 0.300 1 589 56 56 ASP N N 121.865 0.300 1 590 57 57 GLN H H 8.241 0.030 1 591 57 57 GLN HA H 4.590 0.030 1 592 57 57 GLN HB2 H 2.184 0.030 2 593 57 57 GLN HB3 H 2.053 0.030 2 594 57 57 GLN HE21 H 7.022 0.030 2 595 57 57 GLN HE22 H 7.800 0.030 2 596 57 57 GLN HG2 H 2.565 0.030 1 597 57 57 GLN HG3 H 2.565 0.030 1 598 57 57 GLN C C 175.131 0.300 1 599 57 57 GLN CA C 55.022 0.300 1 600 57 57 GLN CB C 28.408 0.300 1 601 57 57 GLN CG C 35.311 0.300 1 602 57 57 GLN N N 119.805 0.300 1 603 57 57 GLN NE2 N 114.661 0.300 1 604 58 58 PRO HA H 4.311 0.030 1 605 58 58 PRO HB2 H 1.957 0.030 2 606 58 58 PRO HB3 H 2.400 0.030 2 607 58 58 PRO HD2 H 3.687 0.030 2 608 58 58 PRO HD3 H 3.875 0.030 2 609 58 58 PRO HG2 H 2.232 0.030 2 610 58 58 PRO HG3 H 1.936 0.030 2 611 58 58 PRO C C 178.907 0.300 1 612 58 58 PRO CA C 64.026 0.300 1 613 58 58 PRO CB C 31.785 0.300 1 614 58 58 PRO CD C 50.502 0.300 1 615 58 58 PRO CG C 28.071 0.300 1 616 59 59 THR H H 8.916 0.030 1 617 59 59 THR HA H 4.424 0.030 1 618 59 59 THR HB H 4.147 0.030 1 619 59 59 THR HG2 H 1.542 0.030 1 620 59 59 THR C C 178.636 0.300 1 621 59 59 THR CA C 63.209 0.300 1 622 59 59 THR CB C 71.854 0.300 1 623 59 59 THR CG2 C 20.533 0.300 1 624 59 59 THR N N 114.899 0.300 1 625 60 60 GLY H H 9.090 0.030 1 626 60 60 GLY HA2 H 3.886 0.030 2 627 60 60 GLY HA3 H 3.982 0.030 2 628 60 60 GLY C C 174.232 0.300 1 629 60 60 GLY CA C 45.988 0.300 1 630 60 60 GLY N N 112.810 0.300 1 631 61 61 GLY H H 7.863 0.030 1 632 61 61 GLY HA2 H 2.347 0.030 2 633 61 61 GLY HA3 H 3.276 0.030 2 634 61 61 GLY C C 172.433 0.300 1 635 61 61 GLY CA C 46.090 0.300 1 636 61 61 GLY N N 105.659 0.300 1 637 62 62 ILE H H 6.227 0.030 1 638 62 62 ILE HA H 3.742 0.030 1 639 62 62 ILE HB H 1.699 0.030 1 640 62 62 ILE HD1 H 0.694 0.030 1 641 62 62 ILE HG12 H 1.031 0.030 2 642 62 62 ILE HG13 H 1.269 0.030 2 643 62 62 ILE HG2 H 0.721 0.030 1 644 62 62 ILE C C 173.498 0.300 1 645 62 62 ILE CA C 59.358 0.300 1 646 62 62 ILE CB C 37.102 0.300 1 647 62 62 ILE CD1 C 11.540 0.300 1 648 62 62 ILE CG1 C 26.535 0.300 1 649 62 62 ILE CG2 C 16.963 0.300 1 650 62 62 ILE N N 118.444 0.300 1 651 63 63 PHE H H 8.435 0.030 1 652 63 63 PHE HA H 4.799 0.030 1 653 63 63 PHE HB2 H 2.817 0.030 2 654 63 63 PHE HB3 H 2.626 0.030 2 655 63 63 PHE HD1 H 6.831 0.030 1 656 63 63 PHE HD2 H 6.831 0.030 1 657 63 63 PHE HE1 H 6.644 0.030 1 658 63 63 PHE HE2 H 6.644 0.030 1 659 63 63 PHE HZ H 7.095 0.030 1 660 63 63 PHE C C 174.520 0.300 1 661 63 63 PHE CA C 55.072 0.300 1 662 63 63 PHE CB C 39.205 0.300 1 663 63 63 PHE CD1 C 132.425 0.300 1 664 63 63 PHE CD2 C 132.425 0.300 1 665 63 63 PHE CE1 C 129.712 0.300 1 666 63 63 PHE CE2 C 129.712 0.300 1 667 63 63 PHE CZ C 129.678 0.300 1 668 63 63 PHE N N 128.076 0.300 1 669 64 64 ASN H H 8.188 0.030 1 670 64 64 ASN HA H 5.169 0.030 1 671 64 64 ASN HB2 H 2.511 0.030 2 672 64 64 ASN HB3 H 2.707 0.030 2 673 64 64 ASN HD21 H 6.790 0.030 2 674 64 64 ASN HD22 H 7.592 0.030 2 675 64 64 ASN C C 172.860 0.300 1 676 64 64 ASN CA C 51.229 0.300 1 677 64 64 ASN CB C 39.240 0.300 1 678 64 64 ASN N N 122.127 0.300 1 679 64 64 ASN ND2 N 113.515 0.300 1 680 65 65 PRO HA H 4.450 0.030 1 681 65 65 PRO HB2 H 1.881 0.030 2 682 65 65 PRO HB3 H 2.393 0.030 2 683 65 65 PRO HD2 H 4.028 0.030 2 684 65 65 PRO HD3 H 3.724 0.030 2 685 65 65 PRO HG2 H 2.195 0.030 2 686 65 65 PRO HG3 H 2.101 0.030 2 687 65 65 PRO C C 177.425 0.300 1 688 65 65 PRO CA C 64.080 0.300 1 689 65 65 PRO CB C 32.179 0.300 1 690 65 65 PRO CD C 50.435 0.300 1 691 65 65 PRO CG C 28.071 0.300 1 692 66 66 ALA H H 8.502 0.030 1 693 66 66 ALA HA H 4.729 0.030 1 694 66 66 ALA HB H 1.161 0.030 1 695 66 66 ALA C C 176.787 0.300 1 696 66 66 ALA CA C 50.506 0.300 1 697 66 66 ALA CB C 17.717 0.300 1 698 66 66 ALA N N 128.826 0.300 1 699 67 67 LYS H H 7.882 0.030 1 700 67 67 LYS HA H 3.890 0.030 1 701 67 67 LYS HB2 H 1.821 0.030 1 702 67 67 LYS HB3 H 1.821 0.030 1 703 67 67 LYS HD2 H 1.697 0.030 1 704 67 67 LYS HD3 H 1.697 0.030 1 705 67 67 LYS HE2 H 2.979 0.030 1 706 67 67 LYS HE3 H 2.979 0.030 1 707 67 67 LYS HG2 H 1.466 0.030 2 708 67 67 LYS HG3 H 1.383 0.030 2 709 67 67 LYS C C 178.837 0.300 1 710 67 67 LYS CA C 59.861 0.300 1 711 67 67 LYS CB C 32.599 0.300 1 712 67 67 LYS CD C 29.182 0.300 1 713 67 67 LYS CE C 42.025 0.300 1 714 67 67 LYS CG C 25.079 0.300 1 715 67 67 LYS N N 122.031 0.300 1 716 68 68 GLU H H 9.098 0.030 1 717 68 68 GLU HA H 4.117 0.030 1 718 68 68 GLU HB2 H 2.002 0.030 1 719 68 68 GLU HB3 H 2.002 0.030 1 720 68 68 GLU HG2 H 2.287 0.030 2 721 68 68 GLU HG3 H 2.222 0.030 2 722 68 68 GLU C C 178.389 0.300 1 723 68 68 GLU CA C 58.960 0.300 1 724 68 68 GLU CB C 28.612 0.300 1 725 68 68 GLU CG C 36.511 0.300 1 726 68 68 GLU N N 119.510 0.300 1 727 69 69 LEU H H 7.537 0.030 1 728 69 69 LEU HA H 3.966 0.030 1 729 69 69 LEU HB2 H 1.260 0.030 2 730 69 69 LEU HB3 H 1.516 0.030 2 731 69 69 LEU HD1 H 0.426 0.030 1 732 69 69 LEU HD2 H 0.167 0.030 1 733 69 69 LEU HG H 1.210 0.030 1 734 69 69 LEU C C 178.339 0.300 1 735 69 69 LEU CA C 57.135 0.300 1 736 69 69 LEU CB C 41.925 0.300 1 737 69 69 LEU CD1 C 23.867 0.300 2 738 69 69 LEU CD2 C 24.604 0.300 2 739 69 69 LEU CG C 26.971 0.300 1 740 69 69 LEU N N 121.302 0.300 1 741 70 70 MET H H 7.954 0.030 1 742 70 70 MET HA H 4.006 0.030 1 743 70 70 MET HB2 H 1.972 0.030 2 744 70 70 MET HB3 H 2.064 0.030 2 745 70 70 MET HE H 1.889 0.030 1 746 70 70 MET HG2 H 2.567 0.030 2 747 70 70 MET HG3 H 2.408 0.030 2 748 70 70 MET C C 177.886 0.300 1 749 70 70 MET CA C 58.081 0.300 1 750 70 70 MET CB C 32.471 0.300 1 751 70 70 MET CE C 17.067 0.300 1 752 70 70 MET CG C 32.472 0.300 1 753 70 70 MET N N 116.458 0.300 1 754 71 71 ALA H H 7.703 0.030 1 755 71 71 ALA HA H 4.156 0.030 1 756 71 71 ALA HB H 1.419 0.030 1 757 71 71 ALA C C 179.543 0.300 1 758 71 71 ALA CA C 54.253 0.300 1 759 71 71 ALA CB C 18.255 0.300 1 760 71 71 ALA N N 120.876 0.300 1 761 72 72 LYS H H 7.700 0.030 1 762 72 72 LYS HA H 4.129 0.030 1 763 72 72 LYS HB2 H 1.864 0.030 1 764 72 72 LYS HB3 H 1.864 0.030 1 765 72 72 LYS HD2 H 1.607 0.030 1 766 72 72 LYS HD3 H 1.607 0.030 1 767 72 72 LYS HE2 H 2.908 0.030 1 768 72 72 LYS HE3 H 2.908 0.030 1 769 72 72 LYS HG2 H 1.527 0.030 2 770 72 72 LYS HG3 H 1.400 0.030 2 771 72 72 LYS C C 178.295 0.300 1 772 72 72 LYS CA C 57.943 0.300 1 773 72 72 LYS CB C 32.750 0.300 1 774 72 72 LYS CD C 29.296 0.300 1 775 72 72 LYS CE C 42.139 0.300 1 776 72 72 LYS CG C 25.209 0.300 1 777 72 72 LYS N N 118.206 0.300 1 778 73 73 LEU H H 7.989 0.030 1 779 73 73 LEU HA H 4.174 0.030 1 780 73 73 LEU HB2 H 1.742 0.030 2 781 73 73 LEU HB3 H 1.540 0.030 2 782 73 73 LEU HD1 H 0.874 0.030 1 783 73 73 LEU HD2 H 0.826 0.030 1 784 73 73 LEU HG H 1.699 0.030 1 785 73 73 LEU C C 178.310 0.300 1 786 73 73 LEU CA C 56.115 0.300 1 787 73 73 LEU CB C 42.102 0.300 1 788 73 73 LEU CD1 C 25.498 0.300 2 789 73 73 LEU CD2 C 22.865 0.300 2 790 73 73 LEU CG C 26.870 0.300 1 791 73 73 LEU N N 119.938 0.300 1 792 74 74 GLN H H 7.895 0.030 1 793 74 74 GLN HA H 4.214 0.030 1 794 74 74 GLN HB2 H 2.040 0.030 2 795 74 74 GLN HB3 H 2.104 0.030 2 796 74 74 GLN HE21 H 6.824 0.030 2 797 74 74 GLN HE22 H 7.445 0.030 2 798 74 74 GLN HG2 H 2.370 0.030 2 799 74 74 GLN HG3 H 2.412 0.030 2 800 74 74 GLN C C 176.330 0.300 1 801 74 74 GLN CA C 56.463 0.300 1 802 74 74 GLN CB C 29.013 0.300 1 803 74 74 GLN CG C 33.845 0.300 1 804 74 74 GLN N N 118.787 0.300 1 805 74 74 GLN NE2 N 112.021 0.300 1 806 75 75 LYS H H 7.992 0.030 1 807 75 75 LYS HA H 4.321 0.030 1 808 75 75 LYS HB2 H 1.884 0.030 2 809 75 75 LYS HB3 H 1.796 0.030 2 810 75 75 LYS HD2 H 1.660 0.030 1 811 75 75 LYS HD3 H 1.660 0.030 1 812 75 75 LYS HE2 H 2.908 0.030 1 813 75 75 LYS HE3 H 2.908 0.030 1 814 75 75 LYS HG2 H 1.469 0.030 2 815 75 75 LYS HG3 H 1.433 0.030 2 816 75 75 LYS C C 176.720 0.300 1 817 75 75 LYS CA C 56.564 0.300 1 818 75 75 LYS CB C 32.776 0.300 1 819 75 75 LYS CD C 29.047 0.300 1 820 75 75 LYS CE C 42.140 0.300 1 821 75 75 LYS CG C 24.790 0.300 1 822 75 75 LYS N N 121.079 0.300 1 823 76 76 SER H H 8.199 0.030 1 824 76 76 SER HA H 4.497 0.030 1 825 76 76 SER HB2 H 3.897 0.030 1 826 76 76 SER HB3 H 3.897 0.030 1 827 76 76 SER C C 174.548 0.300 1 828 76 76 SER CA C 58.369 0.300 1 829 76 76 SER CB C 64.038 0.300 1 830 76 76 SER N N 116.248 0.300 1 831 77 77 GLY H H 8.187 0.030 1 832 77 77 GLY HA2 H 4.060 0.030 2 833 77 77 GLY HA3 H 4.135 0.030 2 834 77 77 GLY C C 171.811 0.300 1 835 77 77 GLY CA C 44.716 0.300 1 836 77 77 GLY N N 110.520 0.300 1 837 78 78 PRO HA H 4.441 0.030 1 838 78 78 PRO HB2 H 1.943 0.030 2 839 78 78 PRO HB3 H 2.253 0.030 2 840 78 78 PRO HD2 H 3.588 0.030 1 841 78 78 PRO HD3 H 3.588 0.030 1 842 78 78 PRO HG2 H 1.977 0.030 1 843 78 78 PRO HG3 H 1.977 0.030 1 844 78 78 PRO CA C 63.293 0.300 1 845 78 78 PRO CB C 32.382 0.300 1 846 78 78 PRO CD C 49.770 0.300 1 847 78 78 PRO CG C 27.066 0.300 1 stop_ save_