data_10013 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure Of The Ring Finger Domain Of The Human Kiaa1045 Protein ; _BMRB_accession_number 10013 _BMRB_flat_file_name bmr10013.str _Entry_type original _Submission_date 2005-11-20 _Accession_date 2005-11-20 _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 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" 437 "13C chemical shifts" 340 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-12-06 original author . stop_ _Original_release_date 2006-12-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the RING Finger Domain of the Human KIAA1045 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 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation 'not known' _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 . loop_ _Keyword 'KIAA1045 protein' 'RING finger domain' 'Structural Genomics' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ring finger domain of KIAA1045 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RING Finger Domain' $RING_Finger_Domain 'ZINC (II) ION, 1' $ZN 'ZINC (II) ION, 2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all other bound' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component diamagnetic 'ZINC (II) ION, 1' diamagnetic 'ZINC (II) ION, 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RING_Finger_Domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RING Finger Domain' _Molecular_mass 9688.757 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; GSSGSSGPREPVVNDEMCDV CEVWTAESLFPCRVCTRVFH DGCLRRMGYIQGDSAAEVTE MAHTETGWSCHYCDNINLLL TEESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 ARG 10 GLU 11 PRO 12 VAL 13 VAL 14 ASN 15 ASP 16 GLU 17 MET 18 CYS 19 ASP 20 VAL 21 CYS 22 GLU 23 VAL 24 TRP 25 THR 26 ALA 27 GLU 28 SER 29 LEU 30 PHE 31 PRO 32 CYS 33 ARG 34 VAL 35 CYS 36 THR 37 ARG 38 VAL 39 PHE 40 HIS 41 ASP 42 GLY 43 CYS 44 LEU 45 ARG 46 ARG 47 MET 48 GLY 49 TYR 50 ILE 51 GLN 52 GLY 53 ASP 54 SER 55 ALA 56 ALA 57 GLU 58 VAL 59 THR 60 GLU 61 MET 62 ALA 63 HIS 64 THR 65 GLU 66 THR 67 GLY 68 TRP 69 SER 70 CYS 71 HIS 72 TYR 73 CYS 74 ASP 75 ASN 76 ILE 77 ASN 78 LEU 79 LEU 80 LEU 81 THR 82 GLU 83 GLU 84 SER 85 GLY 86 PRO 87 SER 88 SER 89 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 1WIL "Solution Structure Of The Ring Finger Domain Of The Human Kiaa1045 Protein" 100.00 89 100.00 100.00 5.24e-58 DBJ BAA82997 "KIAA1045 protein [Homo sapiens]" 85.39 400 100.00 100.00 3.21e-48 DBJ BAE90222 "unnamed protein product [Macaca fascicularis]" 85.39 383 98.68 98.68 1.49e-47 DBJ BAE90573 "unnamed protein product [Macaca fascicularis]" 85.39 400 98.68 98.68 1.58e-47 DBJ BAG09947 "KIAA1045 protein [synthetic construct]" 85.39 400 100.00 100.00 3.21e-48 DBJ BAH11739 "unnamed protein product [Homo sapiens]" 85.39 400 100.00 100.00 3.21e-48 EMBL CAH93249 "hypothetical protein [Pongo abelii]" 85.39 400 97.37 98.68 8.93e-47 EMBL CAI29683 "hypothetical protein [Pongo abelii]" 85.39 409 98.68 98.68 2.78e-47 GB EAW58408 "hCG20484 [Homo sapiens]" 85.39 400 100.00 100.00 3.21e-48 GB EHH24010 "Protein KIAA1045 [Macaca mulatta]" 85.39 400 98.68 98.68 1.52e-47 GB EHH57286 "Protein KIAA1045 [Macaca fascicularis]" 85.39 400 98.68 98.68 1.52e-47 GB ELR52775 "Protein KIAA1045 [Bos mutus]" 85.39 400 97.37 98.68 6.44e-47 REF NP_001127105 "PHD finger protein 24 [Pongo abelii]" 85.39 409 98.68 98.68 2.78e-47 REF NP_001128900 "protein KIAA1045 homolog [Pongo abelii]" 85.39 400 97.37 98.68 8.93e-47 REF NP_001291262 "PHD finger protein 24 [Homo sapiens]" 85.39 400 100.00 100.00 3.21e-48 REF NP_056112 "PHD finger protein 24 [Homo sapiens]" 85.39 400 100.00 100.00 3.21e-48 REF XP_002689719 "PREDICTED: protein KIAA1045 homolog [Bos taurus]" 85.39 400 97.37 98.68 6.44e-47 SP Q5R4R7 "RecName: Full=PHD finger protein 24" 85.39 400 98.68 98.68 1.98e-47 SP Q9UPV7 "RecName: Full=PHD finger protein 24" 85.39 400 100.00 100.00 3.21e-48 TPG DAA26823 "TPA: hypothetical protein BOS_8912 [Bos taurus]" 85.39 400 97.37 98.68 6.44e-47 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 Wed Sep 14 14:34:17 2011 ; 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 $RING_Finger_Domain 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 $RING_Finger_Domain 'cell free synthesis' . . . . plasmid P030609-29 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'RING Finger Domain' 0.4 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . ZnCl2 0.1 mM . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'data analysis' stop_ _Details 'Johnson, B. A.' save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.8996 loop_ _Task 'data analysis' stop_ _Details 'Kobayashi, N.' save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Task refinement 'structure solution' stop_ _Details 'Guntert, P.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.12 0.001 M pH 7.0 0.05 pH pressure 1 0.03 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 (4.784 ppm at 296 K) 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 internal direct . . . 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_assigned_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_13C-separated_NOESY 3D_15N-separated_NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'RING Finger Domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 PRO HA H 4.421 0.030 1 2 8 8 PRO HB2 H 1.919 0.030 2 3 8 8 PRO HB3 H 2.243 0.030 2 4 8 8 PRO HG2 H 2.003 0.030 1 5 8 8 PRO HG3 H 2.003 0.030 1 6 8 8 PRO HD2 H 3.604 0.030 1 7 8 8 PRO HD3 H 3.604 0.030 1 8 8 8 PRO C C 176.979 0.300 1 9 8 8 PRO CA C 63.094 0.300 1 10 8 8 PRO CB C 32.173 0.300 1 11 8 8 PRO CG C 27.317 0.300 1 12 8 8 PRO CD C 49.780 0.300 1 13 9 9 ARG H H 8.445 0.030 1 14 9 9 ARG HA H 4.332 0.030 1 15 9 9 ARG HB2 H 1.764 0.030 2 16 9 9 ARG HB3 H 1.837 0.030 2 17 9 9 ARG HG2 H 1.600 0.030 1 18 9 9 ARG HG3 H 1.600 0.030 1 19 9 9 ARG HD2 H 3.157 0.030 1 20 9 9 ARG HD3 H 3.157 0.030 1 21 9 9 ARG C C 176.071 0.300 1 22 9 9 ARG CA C 55.831 0.300 1 23 9 9 ARG CB C 30.981 0.300 1 24 9 9 ARG CG C 26.746 0.300 1 25 9 9 ARG CD C 43.273 0.300 1 26 9 9 ARG N N 121.373 0.300 1 27 10 10 GLU H H 8.360 0.030 1 28 10 10 GLU HA H 4.550 0.030 1 29 10 10 GLU HB2 H 1.869 0.030 2 30 10 10 GLU HB3 H 2.033 0.030 2 31 10 10 GLU HG2 H 2.276 0.030 1 32 10 10 GLU HG3 H 2.276 0.030 1 33 10 10 GLU C C 174.435 0.300 1 34 10 10 GLU CA C 54.307 0.300 1 35 10 10 GLU CB C 29.629 0.300 1 36 10 10 GLU CG C 35.997 0.300 1 37 10 10 GLU N N 123.505 0.300 1 38 11 11 PRO HA H 4.391 0.030 1 39 11 11 PRO HB2 H 1.839 0.030 2 40 11 11 PRO HB3 H 2.204 0.030 2 41 11 11 PRO HG2 H 1.957 0.030 2 42 11 11 PRO HG3 H 2.007 0.030 2 43 11 11 PRO HD2 H 3.672 0.030 2 44 11 11 PRO HD3 H 3.775 0.030 2 45 11 11 PRO C C 176.592 0.300 1 46 11 11 PRO CA C 63.093 0.300 1 47 11 11 PRO CB C 32.002 0.300 1 48 11 11 PRO CG C 27.322 0.300 1 49 11 11 PRO CD C 50.525 0.300 1 50 12 12 VAL H H 8.208 0.030 1 51 12 12 VAL HA H 4.096 0.030 1 52 12 12 VAL HB H 2.002 0.030 1 53 12 12 VAL HG1 H 0.910 0.030 1 54 12 12 VAL HG2 H 0.875 0.030 1 55 12 12 VAL C C 176.119 0.300 1 56 12 12 VAL CA C 62.068 0.300 1 57 12 12 VAL CB C 32.943 0.300 1 58 12 12 VAL CG1 C 20.519 0.300 2 59 12 12 VAL CG2 C 21.274 0.300 2 60 12 12 VAL N N 120.922 0.300 1 61 13 13 VAL H H 8.242 0.030 1 62 13 13 VAL HA H 4.053 0.030 1 63 13 13 VAL HB H 1.985 0.030 1 64 13 13 VAL HG1 H 0.861 0.030 1 65 13 13 VAL HG2 H 0.856 0.030 1 66 13 13 VAL C C 175.525 0.300 1 67 13 13 VAL CA C 62.157 0.300 1 68 13 13 VAL CB C 32.835 0.300 1 69 13 13 VAL CG1 C 20.541 0.300 2 70 13 13 VAL CG2 C 21.197 0.300 2 71 13 13 VAL N N 124.431 0.300 1 72 14 14 ASN H H 8.419 0.030 1 73 14 14 ASN HA H 4.694 0.030 1 74 14 14 ASN HB2 H 2.667 0.030 2 75 14 14 ASN HB3 H 2.810 0.030 2 76 14 14 ASN HD21 H 6.841 0.030 2 77 14 14 ASN HD22 H 7.579 0.030 2 78 14 14 ASN C C 174.544 0.300 1 79 14 14 ASN CA C 53.226 0.300 1 80 14 14 ASN CB C 39.244 0.300 1 81 14 14 ASN N N 122.827 0.300 1 82 14 14 ASN ND2 N 112.889 0.300 1 83 15 15 ASP H H 8.320 0.030 1 84 15 15 ASP HA H 4.548 0.030 1 85 15 15 ASP HB2 H 2.642 0.030 1 86 15 15 ASP HB3 H 2.642 0.030 1 87 15 15 ASP C C 175.683 0.300 1 88 15 15 ASP CA C 54.275 0.300 1 89 15 15 ASP CB C 41.094 0.300 1 90 15 15 ASP N N 121.228 0.300 1 91 16 16 GLU H H 8.178 0.030 1 92 16 16 GLU HA H 4.228 0.030 1 93 16 16 GLU HB2 H 1.865 0.030 2 94 16 16 GLU HB3 H 2.004 0.030 2 95 16 16 GLU HG2 H 2.196 0.030 2 96 16 16 GLU HG3 H 2.274 0.030 2 97 16 16 GLU C C 174.945 0.300 1 98 16 16 GLU CA C 56.407 0.300 1 99 16 16 GLU CB C 30.741 0.300 1 100 16 16 GLU CG C 36.466 0.300 1 101 16 16 GLU N N 119.468 0.300 1 102 17 17 MET H H 7.857 0.030 1 103 17 17 MET HA H 4.484 0.030 1 104 17 17 MET HB2 H 1.637 0.030 1 105 17 17 MET HB3 H 1.637 0.030 1 106 17 17 MET HG2 H 2.248 0.030 2 107 17 17 MET HG3 H 2.320 0.030 2 108 17 17 MET HE H 1.967 0.030 1 109 17 17 MET C C 173.636 0.300 1 110 17 17 MET CA C 53.272 0.300 1 111 17 17 MET CB C 35.985 0.300 1 112 17 17 MET CG C 32.005 0.300 1 113 17 17 MET CE C 17.440 0.300 1 114 17 17 MET N N 118.642 0.300 1 115 18 18 CYS H H 8.561 0.030 1 116 18 18 CYS HA H 3.855 0.030 1 117 18 18 CYS HB2 H 1.607 0.030 1 118 18 18 CYS HB3 H 1.607 0.030 1 119 18 18 CYS C C 177.076 0.300 1 120 18 18 CYS CA C 58.523 0.300 1 121 18 18 CYS CB C 31.186 0.300 1 122 18 18 CYS N N 124.566 0.300 1 123 19 19 ASP H H 8.368 0.030 1 124 19 19 ASP HA H 4.285 0.030 1 125 19 19 ASP HB2 H 2.394 0.030 2 126 19 19 ASP HB3 H 2.464 0.030 2 127 19 19 ASP C C 175.974 0.300 1 128 19 19 ASP CA C 57.165 0.300 1 129 19 19 ASP CB C 44.600 0.300 1 130 19 19 ASP N N 127.836 0.300 1 131 20 20 VAL H H 8.947 0.030 1 132 20 20 VAL HA H 4.098 0.030 1 133 20 20 VAL HB H 2.314 0.030 1 134 20 20 VAL HG1 H 1.453 0.030 1 135 20 20 VAL HG2 H 1.126 0.030 1 136 20 20 VAL C C 177.367 0.300 1 137 20 20 VAL CA C 64.955 0.300 1 138 20 20 VAL CB C 33.177 0.300 1 139 20 20 VAL CG1 C 21.999 0.300 2 140 20 20 VAL CG2 C 21.456 0.300 2 141 20 20 VAL N N 116.432 0.300 1 142 21 21 CYS H H 8.011 0.030 1 143 21 21 CYS HA H 4.827 0.030 1 144 21 21 CYS HB2 H 3.077 0.030 2 145 21 21 CYS HB3 H 3.130 0.030 2 146 21 21 CYS C C 175.344 0.300 1 147 21 21 CYS CA C 58.843 0.300 1 148 21 21 CYS CB C 31.269 0.300 1 149 21 21 CYS N N 116.965 0.300 1 150 22 22 GLU H H 7.964 0.030 1 151 22 22 GLU HA H 3.830 0.030 1 152 22 22 GLU HB2 H 2.183 0.030 2 153 22 22 GLU HB3 H 2.252 0.030 2 154 22 22 GLU HG2 H 2.031 0.030 2 155 22 22 GLU HG3 H 2.149 0.030 2 156 22 22 GLU C C 174.326 0.300 1 157 22 22 GLU CA C 57.976 0.300 1 158 22 22 GLU CB C 28.119 0.300 1 159 22 22 GLU CG C 37.159 0.300 1 160 22 22 GLU N N 118.055 0.300 1 161 23 23 VAL H H 8.116 0.030 1 162 23 23 VAL HA H 4.610 0.030 1 163 23 23 VAL HB H 2.258 0.030 1 164 23 23 VAL HG1 H 0.957 0.030 1 165 23 23 VAL HG2 H 0.978 0.030 1 166 23 23 VAL C C 175.829 0.300 1 167 23 23 VAL CA C 60.951 0.300 1 168 23 23 VAL CB C 35.791 0.300 1 169 23 23 VAL CG1 C 20.692 0.300 2 170 23 23 VAL CG2 C 21.691 0.300 2 171 23 23 VAL N N 116.219 0.300 1 172 24 24 TRP H H 8.828 0.030 1 173 24 24 TRP HA H 4.620 0.030 1 174 24 24 TRP HB2 H 3.195 0.030 2 175 24 24 TRP HB3 H 3.308 0.030 2 176 24 24 TRP HD1 H 7.349 0.030 1 177 24 24 TRP HE1 H 10.088 0.030 1 178 24 24 TRP HE3 H 7.512 0.030 1 179 24 24 TRP HZ2 H 7.440 0.030 1 180 24 24 TRP HZ3 H 7.104 0.030 1 181 24 24 TRP HH2 H 7.188 0.030 1 182 24 24 TRP C C 176.471 0.300 1 183 24 24 TRP CA C 58.737 0.300 1 184 24 24 TRP CB C 29.341 0.300 1 185 24 24 TRP CD1 C 127.470 0.300 1 186 24 24 TRP CE3 C 120.668 0.300 1 187 24 24 TRP CZ2 C 114.612 0.300 1 188 24 24 TRP CZ3 C 122.004 0.300 1 189 24 24 TRP CH2 C 124.368 0.300 1 190 24 24 TRP N N 126.080 0.300 1 191 24 24 TRP NE1 N 129.786 0.300 1 192 25 25 THR H H 7.597 0.030 1 193 25 25 THR HA H 4.283 0.030 1 194 25 25 THR HB H 4.209 0.030 1 195 25 25 THR HG2 H 0.983 0.030 1 196 25 25 THR C C 172.606 0.300 1 197 25 25 THR CA C 59.532 0.300 1 198 25 25 THR CB C 71.530 0.300 1 199 25 25 THR CG2 C 21.731 0.300 1 200 25 25 THR N N 117.676 0.300 1 201 26 26 ALA H H 7.909 0.030 1 202 26 26 ALA HA H 4.031 0.030 1 203 26 26 ALA HB H 1.381 0.030 1 204 26 26 ALA C C 177.488 0.300 1 205 26 26 ALA CA C 52.407 0.300 1 206 26 26 ALA CB C 18.319 0.300 1 207 26 26 ALA N N 119.562 0.300 1 208 27 27 GLU H H 7.690 0.030 1 209 27 27 GLU HA H 4.196 0.030 1 210 27 27 GLU HB2 H 1.961 0.030 2 211 27 27 GLU HB3 H 1.619 0.030 2 212 27 27 GLU HG2 H 2.241 0.030 2 213 27 27 GLU HG3 H 2.371 0.030 2 214 27 27 GLU C C 176.216 0.300 1 215 27 27 GLU CA C 56.208 0.300 1 216 27 27 GLU CB C 31.022 0.300 1 217 27 27 GLU CG C 36.695 0.300 1 218 27 27 GLU N N 119.658 0.300 1 219 28 28 SER H H 8.578 0.030 1 220 28 28 SER HA H 4.232 0.030 1 221 28 28 SER HB2 H 3.731 0.030 2 222 28 28 SER HB3 H 3.764 0.030 2 223 28 28 SER C C 173.200 0.300 1 224 28 28 SER CA C 59.765 0.300 1 225 28 28 SER CB C 63.911 0.300 1 226 28 28 SER N N 118.296 0.300 1 227 29 29 LEU H H 8.241 0.030 1 228 29 29 LEU HA H 4.610 0.030 1 229 29 29 LEU HB2 H 0.965 0.030 2 230 29 29 LEU HB3 H 1.574 0.030 2 231 29 29 LEU HG H 1.472 0.030 1 232 29 29 LEU HD1 H 0.248 0.030 1 233 29 29 LEU HD2 H 0.724 0.030 1 234 29 29 LEU C C 176.568 0.300 1 235 29 29 LEU CA C 53.219 0.300 1 236 29 29 LEU CB C 45.105 0.300 1 237 29 29 LEU CG C 26.150 0.300 1 238 29 29 LEU CD1 C 23.616 0.300 2 239 29 29 LEU CD2 C 25.912 0.300 2 240 29 29 LEU N N 122.860 0.300 1 241 30 30 PHE H H 9.175 0.030 1 242 30 30 PHE HA H 4.979 0.030 1 243 30 30 PHE HB2 H 2.785 0.030 2 244 30 30 PHE HB3 H 2.838 0.030 2 245 30 30 PHE HD1 H 7.063 0.030 1 246 30 30 PHE HD2 H 7.063 0.030 1 247 30 30 PHE HE1 H 7.087 0.030 1 248 30 30 PHE HE2 H 7.087 0.030 1 249 30 30 PHE HZ H 7.105 0.030 1 250 30 30 PHE C C 174.169 0.300 1 251 30 30 PHE CA C 54.906 0.300 1 252 30 30 PHE CB C 40.369 0.300 1 253 30 30 PHE CD1 C 131.906 0.300 1 254 30 30 PHE CD2 C 131.906 0.300 1 255 30 30 PHE CE1 C 131.130 0.300 1 256 30 30 PHE CE2 C 131.130 0.300 1 257 30 30 PHE CZ C 129.370 0.300 1 258 30 30 PHE N N 122.374 0.300 1 259 31 31 PRO HA H 4.724 0.030 1 260 31 31 PRO HB2 H 2.356 0.030 2 261 31 31 PRO HB3 H 2.046 0.030 2 262 31 31 PRO HG2 H 1.832 0.030 2 263 31 31 PRO HG3 H 1.922 0.030 2 264 31 31 PRO HD2 H 3.577 0.030 2 265 31 31 PRO HD3 H 3.474 0.030 2 266 31 31 PRO C C 176.524 0.300 1 267 31 31 PRO CA C 62.379 0.300 1 268 31 31 PRO CB C 34.325 0.300 1 269 31 31 PRO CG C 24.840 0.300 1 270 31 31 PRO CD C 50.161 0.300 1 271 32 32 CYS H H 8.430 0.030 1 272 32 32 CYS HA H 4.964 0.030 1 273 32 32 CYS HB2 H 2.725 0.030 2 274 32 32 CYS HB3 H 3.184 0.030 2 275 32 32 CYS C C 176.540 0.300 1 276 32 32 CYS CA C 63.092 0.300 1 277 32 32 CYS CB C 30.997 0.300 1 278 32 32 CYS N N 122.134 0.300 1 279 33 33 ARG H H 7.389 0.030 1 280 33 33 ARG HA H 4.675 0.030 1 281 33 33 ARG HB2 H 1.744 0.030 2 282 33 33 ARG HB3 H 1.840 0.030 2 283 33 33 ARG HG2 H 1.637 0.030 2 284 33 33 ARG HG3 H 1.697 0.030 2 285 33 33 ARG HD2 H 3.132 0.030 2 286 33 33 ARG HD3 H 3.216 0.030 2 287 33 33 ARG C C 174.944 0.300 1 288 33 33 ARG CA C 55.682 0.300 1 289 33 33 ARG CB C 31.068 0.300 1 290 33 33 ARG CG C 27.088 0.300 1 291 33 33 ARG CD C 43.355 0.300 1 292 34 34 VAL H H 8.387 0.030 1 293 34 34 VAL HA H 4.030 0.030 1 294 34 34 VAL HB H 2.773 0.030 1 295 34 34 VAL HG1 H 0.952 0.030 1 296 34 34 VAL HG2 H 0.900 0.030 1 297 34 34 VAL C C 176.191 0.300 1 298 34 34 VAL CA C 65.275 0.300 1 299 34 34 VAL CB C 32.480 0.300 1 300 34 34 VAL CG1 C 22.042 0.300 2 301 34 34 VAL CG2 C 21.882 0.300 2 302 34 34 VAL N N 121.234 0.300 1 303 35 35 CYS H H 8.443 0.030 1 304 35 35 CYS HB2 H 2.773 0.030 2 305 35 35 CYS HB3 H 3.386 0.030 2 306 35 35 CYS CB C 31.652 0.300 1 307 36 36 THR H H 7.398 0.030 1 308 36 36 THR HA H 4.411 0.030 1 309 36 36 THR HB H 4.579 0.030 1 310 36 36 THR HG2 H 1.160 0.030 1 311 36 36 THR C C 174.727 0.300 1 312 36 36 THR CA C 61.543 0.300 1 313 36 36 THR CB C 69.285 0.300 1 314 36 36 THR CG2 C 21.807 0.300 1 315 37 37 ARG H H 8.957 0.030 1 316 37 37 ARG HA H 4.086 0.030 1 317 37 37 ARG HB2 H 1.216 0.030 2 318 37 37 ARG HB3 H 1.812 0.030 2 319 37 37 ARG HG2 H 1.460 0.030 2 320 37 37 ARG HG3 H 1.928 0.030 2 321 37 37 ARG HD2 H 2.831 0.030 2 322 37 37 ARG HD3 H 3.163 0.030 2 323 37 37 ARG C C 175.445 0.300 1 324 37 37 ARG CB C 32.474 0.300 1 325 37 37 ARG CG C 30.001 0.300 1 326 37 37 ARG CD C 44.697 0.300 1 327 37 37 ARG N N 124.330 0.300 1 328 38 38 VAL H H 8.243 0.030 1 329 38 38 VAL HA H 5.239 0.030 1 330 38 38 VAL HB H 1.674 0.030 1 331 38 38 VAL HG1 H 0.733 0.030 1 332 38 38 VAL HG2 H 0.426 0.030 1 333 38 38 VAL C C 174.896 0.300 1 334 38 38 VAL CA C 58.634 0.300 1 335 38 38 VAL CB C 35.305 0.300 1 336 38 38 VAL CG1 C 21.628 0.300 2 337 38 38 VAL CG2 C 19.483 0.300 2 338 38 38 VAL N N 111.480 0.300 1 339 39 39 PHE H H 8.383 0.030 1 340 39 39 PHE HA H 5.417 0.030 1 341 39 39 PHE HB2 H 2.683 0.030 2 342 39 39 PHE HB3 H 3.032 0.030 2 343 39 39 PHE HD1 H 7.515 0.030 1 344 39 39 PHE HD2 H 7.515 0.030 1 345 39 39 PHE HE1 H 7.465 0.030 1 346 39 39 PHE HE2 H 7.465 0.030 1 347 39 39 PHE HZ H 7.516 0.030 1 348 39 39 PHE C C 176.628 0.300 1 349 39 39 PHE CA C 56.755 0.300 1 350 39 39 PHE CB C 45.062 0.300 1 351 39 39 PHE CD1 C 132.976 0.300 1 352 39 39 PHE CD2 C 132.976 0.300 1 353 39 39 PHE CE1 C 131.734 0.300 1 354 39 39 PHE CE2 C 131.734 0.300 1 355 39 39 PHE CZ C 129.750 0.300 1 356 39 39 PHE N N 114.246 0.300 1 357 40 40 HIS H H 9.277 0.030 1 358 40 40 HIS HA H 5.250 0.030 1 359 40 40 HIS HB2 H 3.577 0.030 2 360 40 40 HIS HB3 H 3.618 0.030 2 361 40 40 HIS HD2 H 7.003 0.030 1 362 40 40 HIS HE1 H 7.885 0.030 1 363 40 40 HIS C C 177.306 0.300 1 364 40 40 HIS CA C 56.652 0.300 1 365 40 40 HIS CB C 32.490 0.300 1 366 40 40 HIS CD2 C 119.012 0.300 1 367 40 40 HIS CE1 C 139.052 0.300 1 368 40 40 HIS N N 122.624 0.300 1 369 41 41 ASP H H 9.581 0.030 1 370 41 41 ASP HA H 4.146 0.030 1 371 41 41 ASP HB2 H 2.578 0.030 2 372 41 41 ASP HB3 H 2.633 0.030 2 373 41 41 ASP C C 178.603 0.300 1 374 41 41 ASP CA C 58.314 0.300 1 375 41 41 ASP CB C 41.958 0.300 1 376 41 41 ASP N N 125.344 0.300 1 377 42 42 GLY H H 9.219 0.030 1 378 42 42 GLY HA2 H 3.732 0.030 2 379 42 42 GLY HA3 H 4.120 0.030 2 380 42 42 GLY C C 177.367 0.300 1 381 42 42 GLY CA C 47.222 0.300 1 382 42 42 GLY N N 104.862 0.300 1 383 43 43 CYS H H 6.829 0.030 1 384 43 43 CYS HA H 4.172 0.030 1 385 43 43 CYS HB2 H 2.999 0.030 2 386 43 43 CYS HB3 H 3.130 0.030 2 387 43 43 CYS C C 177.294 0.300 1 388 43 43 CYS CA C 63.799 0.300 1 389 43 43 CYS CB C 29.064 0.300 1 390 43 43 CYS N N 121.075 0.300 1 391 44 44 LEU H H 7.857 0.030 1 392 44 44 LEU HA H 4.095 0.030 1 393 44 44 LEU HB2 H 2.050 0.030 2 394 44 44 LEU HB3 H 1.263 0.030 2 395 44 44 LEU HG H 1.862 0.030 1 396 44 44 LEU HD1 H 0.430 0.030 1 397 44 44 LEU HD2 H 0.662 0.030 1 398 44 44 LEU C C 179.693 0.300 1 399 44 44 LEU CA C 58.021 0.300 1 400 44 44 LEU CB C 41.919 0.300 1 401 44 44 LEU CG C 26.854 0.300 1 402 44 44 LEU CD1 C 26.145 0.300 2 403 44 44 LEU CD2 C 23.800 0.300 2 404 44 44 LEU N N 118.611 0.300 1 405 45 45 ARG H H 8.161 0.030 1 406 45 45 ARG HA H 4.133 0.030 1 407 45 45 ARG HB2 H 1.807 0.030 2 408 45 45 ARG HB3 H 1.856 0.030 2 409 45 45 ARG HG2 H 1.505 0.030 2 410 45 45 ARG HG3 H 1.709 0.030 2 411 45 45 ARG HD2 H 3.018 0.030 2 412 45 45 ARG HD3 H 3.203 0.030 2 413 45 45 ARG C C 179.935 0.300 1 414 45 45 ARG CA C 59.276 0.300 1 415 45 45 ARG CB C 30.061 0.300 1 416 45 45 ARG CG C 28.715 0.300 1 417 45 45 ARG CD C 43.108 0.300 1 418 45 45 ARG N N 118.390 0.300 1 419 46 46 ARG H H 8.108 0.030 1 420 46 46 ARG HA H 4.080 0.030 1 421 46 46 ARG HB2 H 1.885 0.030 2 422 46 46 ARG HB3 H 1.986 0.030 2 423 46 46 ARG HG2 H 1.630 0.030 2 424 46 46 ARG HG3 H 1.743 0.030 2 425 46 46 ARG HD2 H 3.143 0.030 2 426 46 46 ARG HD3 H 3.224 0.030 2 427 46 46 ARG C C 178.070 0.300 1 428 46 46 ARG CA C 59.060 0.300 1 429 46 46 ARG CB C 30.200 0.300 1 430 46 46 ARG CG C 27.815 0.300 1 431 46 46 ARG CD C 43.438 0.300 1 432 46 46 ARG N N 120.653 0.300 1 433 47 47 MET H H 7.405 0.030 1 434 47 47 MET HA H 4.445 0.030 1 435 47 47 MET HB2 H 1.753 0.030 1 436 47 47 MET HB3 H 1.753 0.030 1 437 47 47 MET HG2 H 2.635 0.030 1 438 47 47 MET HG3 H 2.635 0.030 1 439 47 47 MET HE H 2.010 0.030 1 440 47 47 MET C C 176.446 0.300 1 441 47 47 MET CA C 54.537 0.300 1 442 47 47 MET CB C 31.994 0.300 1 443 47 47 MET CG C 32.539 0.300 1 444 47 47 MET CE C 16.650 0.300 1 445 47 47 MET N N 114.331 0.300 1 446 48 48 GLY H H 7.633 0.030 1 447 48 48 GLY HA2 H 3.759 0.030 2 448 48 48 GLY HA3 H 3.992 0.030 2 449 48 48 GLY C C 174.593 0.300 1 450 48 48 GLY CA C 45.579 0.300 1 451 48 48 GLY N N 105.917 0.300 1 452 49 49 TYR H H 7.854 0.030 1 453 49 49 TYR HA H 4.544 0.030 1 454 49 49 TYR HB2 H 2.705 0.030 2 455 49 49 TYR HB3 H 3.153 0.030 2 456 49 49 TYR HD1 H 6.858 0.030 1 457 49 49 TYR HD2 H 6.858 0.030 1 458 49 49 TYR HE1 H 6.544 0.030 1 459 49 49 TYR HE2 H 6.544 0.030 1 460 49 49 TYR C C 175.986 0.300 1 461 49 49 TYR CA C 57.890 0.300 1 462 49 49 TYR CB C 38.299 0.300 1 463 49 49 TYR CD1 C 131.810 0.300 1 464 49 49 TYR CD2 C 131.810 0.300 1 465 49 49 TYR CE1 C 117.979 0.300 1 466 49 49 TYR CE2 C 117.979 0.300 1 467 49 49 TYR N N 118.683 0.300 1 468 50 50 ILE H H 7.432 0.030 1 469 50 50 ILE HA H 4.300 0.030 1 470 50 50 ILE HB H 1.663 0.030 1 471 50 50 ILE HG12 H 0.915 0.030 2 472 50 50 ILE HG13 H 1.274 0.030 2 473 50 50 ILE HG2 H 0.793 0.030 1 474 50 50 ILE HD1 H 0.682 0.030 1 475 50 50 ILE C C 175.113 0.300 1 476 50 50 ILE CA C 60.247 0.300 1 477 50 50 ILE CB C 39.943 0.300 1 478 50 50 ILE CG1 C 26.801 0.300 1 479 50 50 ILE CG2 C 17.455 0.300 1 480 50 50 ILE CD1 C 13.133 0.300 1 481 50 50 ILE N N 117.229 0.300 1 482 51 51 GLN H H 8.559 0.030 1 483 51 51 GLN HA H 4.339 0.030 1 484 51 51 GLN HB2 H 1.941 0.030 2 485 51 51 GLN HB3 H 2.066 0.030 2 486 51 51 GLN HG2 H 2.283 0.030 1 487 51 51 GLN HG3 H 2.283 0.030 1 488 51 51 GLN HE21 H 6.747 0.030 2 489 51 51 GLN HE22 H 7.504 0.030 2 490 51 51 GLN C C 176.083 0.300 1 491 51 51 GLN CA C 55.647 0.300 1 492 51 51 GLN CB C 30.046 0.300 1 493 51 51 GLN CG C 33.735 0.300 1 494 51 51 GLN N N 123.546 0.300 1 495 51 51 GLN NE2 N 112.425 0.300 1 496 52 52 GLY H H 8.432 0.030 1 497 52 52 GLY HA2 H 3.914 0.030 2 498 52 52 GLY HA3 H 3.986 0.030 2 499 52 52 GLY C C 173.927 0.300 1 500 52 52 GLY CA C 45.410 0.300 1 501 52 52 GLY N N 109.873 0.300 1 502 53 53 ASP H H 8.357 0.030 1 503 53 53 ASP HA H 4.602 0.030 1 504 53 53 ASP HB2 H 2.697 0.030 2 505 53 53 ASP HB3 H 2.636 0.030 2 506 53 53 ASP C C 176.689 0.300 1 507 53 53 ASP CA C 54.275 0.300 1 508 53 53 ASP CB C 41.259 0.300 1 509 53 53 ASP N N 120.437 0.300 1 510 54 54 SER H H 8.252 0.030 1 511 54 54 SER HA H 4.397 0.030 1 512 54 54 SER HB2 H 3.856 0.030 2 513 54 54 SER HB3 H 3.912 0.030 2 514 54 54 SER C C 174.520 0.300 1 515 54 54 SER CA C 58.648 0.300 1 516 54 54 SER CB C 63.788 0.300 1 517 54 54 SER N N 116.070 0.300 1 518 55 55 ALA H H 8.307 0.030 1 519 55 55 ALA HA H 4.229 0.030 1 520 55 55 ALA HB H 1.332 0.030 1 521 55 55 ALA C C 177.633 0.300 1 522 55 55 ALA CA C 52.875 0.300 1 523 55 55 ALA CB C 18.953 0.300 1 524 55 55 ALA N N 125.547 0.300 1 525 56 56 ALA H H 8.020 0.030 1 526 56 56 ALA HA H 4.229 0.030 1 527 56 56 ALA HB H 1.348 0.030 1 528 56 56 ALA C C 177.851 0.300 1 529 56 56 ALA CA C 52.908 0.300 1 530 56 56 ALA CB C 19.100 0.300 1 531 56 56 ALA N N 122.123 0.300 1 532 57 57 GLU H H 8.187 0.030 1 533 57 57 GLU HA H 4.213 0.030 1 534 57 57 GLU HB2 H 1.966 0.030 2 535 57 57 GLU HB3 H 2.051 0.030 2 536 57 57 GLU HG2 H 2.271 0.030 2 537 57 57 GLU HG3 H 2.198 0.030 2 538 57 57 GLU C C 176.991 0.300 1 539 57 57 GLU CA C 57.093 0.300 1 540 57 57 GLU CB C 30.035 0.300 1 541 57 57 GLU CG C 36.459 0.300 1 542 57 57 GLU N N 118.833 0.300 1 543 58 58 VAL H H 8.016 0.030 1 544 58 58 VAL HA H 3.844 0.030 1 545 58 58 VAL HB H 1.850 0.030 1 546 58 58 VAL HG1 H 0.616 0.030 1 547 58 58 VAL HG2 H 0.682 0.030 1 548 58 58 VAL C C 176.519 0.300 1 549 58 58 VAL CA C 63.416 0.300 1 550 58 58 VAL CB C 32.240 0.300 1 551 58 58 VAL CG1 C 20.826 0.300 2 552 58 58 VAL CG2 C 20.775 0.300 2 553 58 58 VAL N N 120.303 0.300 1 554 59 59 THR H H 7.902 0.030 1 555 59 59 THR HA H 4.023 0.030 1 556 59 59 THR HB H 4.138 0.030 1 557 59 59 THR HG2 H 1.082 0.030 1 558 59 59 THR C C 175.198 0.300 1 559 59 59 THR CA C 62.973 0.300 1 560 59 59 THR CB C 69.309 0.300 1 561 59 59 THR CG2 C 21.731 0.300 1 562 59 59 THR N N 115.358 0.300 1 563 60 60 GLU H H 8.112 0.030 1 564 60 60 GLU HA H 4.252 0.030 1 565 60 60 GLU HB2 H 1.965 0.030 2 566 60 60 GLU HB3 H 2.050 0.030 2 567 60 60 GLU HG2 H 2.219 0.030 1 568 60 60 GLU HG3 H 2.219 0.030 1 569 60 60 GLU C C 177.052 0.300 1 570 60 60 GLU CA C 57.163 0.300 1 571 60 60 GLU CB C 30.035 0.300 1 572 60 60 GLU CG C 36.284 0.300 1 573 60 60 GLU N N 121.627 0.300 1 574 61 61 MET H H 8.097 0.030 1 575 61 61 MET HA H 4.426 0.030 1 576 61 61 MET HB2 H 1.930 0.030 2 577 61 61 MET HB3 H 1.989 0.030 2 578 61 61 MET HG2 H 2.450 0.030 2 579 61 61 MET HG3 H 2.563 0.030 2 580 61 61 MET HE H 1.999 0.030 1 581 61 61 MET C C 177.040 0.300 1 582 61 61 MET CA C 55.716 0.300 1 583 61 61 MET CB C 32.913 0.300 1 584 61 61 MET CG C 32.240 0.300 1 585 61 61 MET CE C 16.900 0.300 1 586 61 61 MET N N 119.157 0.300 1 587 62 62 ALA H H 8.247 0.030 1 588 62 62 ALA HA H 4.245 0.030 1 589 62 62 ALA HB H 1.377 0.030 1 590 62 62 ALA C C 177.888 0.300 1 591 62 62 ALA CA C 53.665 0.300 1 592 62 62 ALA CB C 19.112 0.300 1 593 62 62 ALA N N 123.485 0.300 1 594 63 63 HIS H H 8.208 0.030 1 595 63 63 HIS HA H 4.521 0.030 1 596 63 63 HIS HB2 H 2.896 0.030 2 597 63 63 HIS HB3 H 3.007 0.030 2 598 63 63 HIS HD2 H 6.822 0.030 1 599 63 63 HIS HE1 H 7.215 0.030 1 600 63 63 HIS C C 175.186 0.300 1 601 63 63 HIS CA C 56.071 0.300 1 602 63 63 HIS CB C 29.624 0.300 1 603 63 63 HIS CD2 C 119.250 0.300 1 604 63 63 HIS CE1 C 137.327 0.300 1 605 63 63 HIS N N 116.282 0.300 1 606 64 64 THR HA H 4.399 0.030 1 607 64 64 THR HB H 4.361 0.030 1 608 64 64 THR HG2 H 1.127 0.030 1 609 64 64 THR C C 174.920 0.300 1 610 64 64 THR CA C 61.640 0.300 1 611 64 64 THR CB C 70.575 0.300 1 612 64 64 THR CG2 C 21.446 0.300 1 613 65 65 GLU H H 8.571 0.030 1 614 65 65 GLU HA H 4.318 0.030 1 615 65 65 GLU HB2 H 1.942 0.030 2 616 65 65 GLU HB3 H 2.068 0.030 2 617 65 65 GLU HG2 H 2.267 0.030 1 618 65 65 GLU HG3 H 2.267 0.030 1 619 65 65 GLU C C 177.318 0.300 1 620 65 65 GLU CA C 57.498 0.300 1 621 65 65 GLU CB C 30.130 0.300 1 622 65 65 GLU CG C 36.202 0.300 1 623 65 65 GLU N N 121.941 0.300 1 624 66 66 THR H H 8.110 0.030 1 625 66 66 THR HA H 4.255 0.030 1 626 66 66 THR HB H 4.236 0.030 1 627 66 66 THR HG2 H 1.251 0.030 1 628 66 66 THR C C 175.392 0.300 1 629 66 66 THR CA C 63.099 0.300 1 630 66 66 THR CB C 69.747 0.300 1 631 66 66 THR CG2 C 21.825 0.300 1 632 66 66 THR N N 113.605 0.300 1 633 67 67 GLY H H 8.150 0.030 1 634 67 67 GLY HA2 H 4.014 0.030 1 635 67 67 GLY HA3 H 4.014 0.030 1 636 67 67 GLY C C 172.424 0.300 1 637 67 67 GLY CA C 45.380 0.300 1 638 67 67 GLY N N 110.376 0.300 1 639 68 68 TRP H H 8.531 0.030 1 640 68 68 TRP HA H 4.544 0.030 1 641 68 68 TRP HB2 H 3.206 0.030 2 642 68 68 TRP HB3 H 3.135 0.030 2 643 68 68 TRP HD1 H 7.194 0.030 1 644 68 68 TRP HE1 H 9.809 0.030 1 645 68 68 TRP HE3 H 7.594 0.030 1 646 68 68 TRP HZ2 H 7.083 0.030 1 647 68 68 TRP HZ3 H 6.779 0.030 1 648 68 68 TRP HH2 H 6.197 0.030 1 649 68 68 TRP C C 174.132 0.300 1 650 68 68 TRP CA C 58.268 0.300 1 651 68 68 TRP CB C 30.407 0.300 1 652 68 68 TRP CD1 C 126.797 0.300 1 653 68 68 TRP CE3 C 121.171 0.300 1 654 68 68 TRP CZ2 C 113.866 0.300 1 655 68 68 TRP CZ3 C 120.624 0.300 1 656 68 68 TRP CH2 C 123.965 0.300 1 657 68 68 TRP N N 123.249 0.300 1 658 68 68 TRP NE1 N 129.831 0.300 1 659 69 69 SER H H 7.331 0.030 1 660 69 69 SER HA H 5.175 0.030 1 661 69 69 SER HB2 H 3.388 0.030 2 662 69 69 SER HB3 H 3.442 0.030 2 663 69 69 SER C C 172.225 0.300 1 664 69 69 SER CA C 55.426 0.300 1 665 69 69 SER CB C 65.292 0.300 1 666 69 69 SER N N 121.113 0.300 1 667 70 70 CYS H H 9.087 0.030 1 668 70 70 CYS HA H 3.505 0.030 1 669 70 70 CYS HB2 H 2.335 0.030 2 670 70 70 CYS HB3 H 2.723 0.030 2 671 70 70 CYS CA C 57.709 0.300 1 672 70 70 CYS CB C 34.341 0.300 1 673 70 70 CYS N N 126.786 0.300 1 674 71 71 HIS H H 7.564 0.030 1 675 71 71 HIS HA H 4.179 0.030 1 676 71 71 HIS HB2 H 2.706 0.030 2 677 71 71 HIS HB3 H 2.863 0.030 2 678 71 71 HIS HD2 H 6.246 0.030 1 679 71 71 HIS HE1 H 7.952 0.030 1 680 71 71 HIS C C 177.254 0.300 1 681 71 71 HIS CA C 57.497 0.300 1 682 71 71 HIS CB C 28.807 0.300 1 683 71 71 HIS CD2 C 118.016 0.300 1 684 71 71 HIS CE1 C 137.709 0.300 1 685 71 71 HIS N N 113.912 0.300 1 686 72 72 TYR H H 8.641 0.030 1 687 72 72 TYR HA H 4.236 0.030 1 688 72 72 TYR HB2 H 2.897 0.030 2 689 72 72 TYR HB3 H 3.059 0.030 2 690 72 72 TYR HD1 H 7.297 0.030 1 691 72 72 TYR HD2 H 7.297 0.030 1 692 72 72 TYR HE1 H 6.884 0.030 1 693 72 72 TYR HE2 H 6.884 0.030 1 694 72 72 TYR C C 178.592 0.300 1 695 72 72 TYR CA C 61.074 0.300 1 696 72 72 TYR CB C 37.876 0.300 1 697 72 72 TYR CD1 C 133.246 0.300 1 698 72 72 TYR CD2 C 133.246 0.300 1 699 72 72 TYR CE1 C 117.885 0.300 1 700 72 72 TYR CE2 C 117.885 0.300 1 701 72 72 TYR N N 122.710 0.300 1 702 73 73 CYS H H 7.738 0.030 1 703 73 73 CYS HA H 3.984 0.030 1 704 73 73 CYS HB2 H 2.608 0.030 2 705 73 73 CYS HB3 H 2.815 0.030 2 706 73 73 CYS C C 176.535 0.300 1 707 73 73 CYS CA C 62.715 0.300 1 708 73 73 CYS CB C 30.015 0.300 1 709 73 73 CYS N N 123.066 0.300 1 710 74 74 ASP H H 7.952 0.030 1 711 74 74 ASP HA H 4.390 0.030 1 712 74 74 ASP HB2 H 2.461 0.030 1 713 74 74 ASP HB3 H 2.461 0.030 1 714 74 74 ASP C C 176.263 0.300 1 715 74 74 ASP CA C 55.031 0.300 1 716 74 74 ASP CB C 40.835 0.300 1 717 74 74 ASP N N 119.885 0.300 1 718 75 75 ASN H H 7.932 0.030 1 719 75 75 ASN HA H 4.638 0.030 1 720 75 75 ASN HB2 H 2.733 0.030 2 721 75 75 ASN HB3 H 2.822 0.030 2 722 75 75 ASN HD21 H 7.594 0.030 2 723 75 75 ASN HD22 H 6.851 0.030 2 724 75 75 ASN C C 175.544 0.300 1 725 75 75 ASN CA C 53.551 0.300 1 726 75 75 ASN CB C 38.804 0.300 1 727 75 75 ASN N N 118.204 0.300 1 728 75 75 ASN ND2 N 112.874 0.300 1 729 76 76 ILE H H 7.887 0.030 1 730 76 76 ILE HA H 4.047 0.030 1 731 76 76 ILE HB H 1.872 0.030 1 732 76 76 ILE HG12 H 1.455 0.030 2 733 76 76 ILE HG13 H 1.178 0.030 2 734 76 76 ILE HG2 H 0.870 0.030 1 735 76 76 ILE HD1 H 0.858 0.030 1 736 76 76 ILE C C 176.216 0.300 1 737 76 76 ILE CA C 62.178 0.300 1 738 76 76 ILE CB C 38.445 0.300 1 739 76 76 ILE CG1 C 27.630 0.300 1 740 76 76 ILE CG2 C 17.435 0.300 1 741 76 76 ILE CD1 C 13.175 0.300 1 742 76 76 ILE N N 120.440 0.300 1 743 77 77 ASN H H 8.380 0.030 1 744 77 77 ASN HA H 4.641 0.030 1 745 77 77 ASN HB2 H 2.733 0.030 1 746 77 77 ASN HB3 H 2.733 0.030 1 747 77 77 ASN C C 175.356 0.300 1 748 77 77 ASN CA C 53.512 0.300 1 749 77 77 ASN CB C 39.272 0.300 1 750 78 78 LEU H H 8.062 0.030 1 751 78 78 LEU HA H 4.264 0.030 1 752 78 78 LEU HB2 H 1.595 0.030 2 753 78 78 LEU HB3 H 1.677 0.030 2 754 78 78 LEU HG H 1.595 0.030 1 755 78 78 LEU HD1 H 0.894 0.030 1 756 78 78 LEU HD2 H 0.837 0.030 1 757 78 78 LEU C C 177.343 0.300 1 758 78 78 LEU CA C 55.621 0.300 1 759 78 78 LEU CB C 42.163 0.300 1 760 78 78 LEU CG C 27.075 0.300 1 761 78 78 LEU CD1 C 24.973 0.300 2 762 78 78 LEU CD2 C 23.566 0.300 2 763 78 78 LEU N N 122.477 0.300 1 764 79 79 LEU H H 8.066 0.030 1 765 79 79 LEU HA H 4.339 0.030 1 766 79 79 LEU HB2 H 1.592 0.030 2 767 79 79 LEU HB3 H 1.672 0.030 2 768 79 79 LEU HG H 1.608 0.030 1 769 79 79 LEU HD1 H 0.839 0.030 1 770 79 79 LEU HD2 H 0.923 0.030 1 771 79 79 LEU C C 177.246 0.300 1 772 79 79 LEU CA C 55.260 0.300 1 773 79 79 LEU CB C 42.040 0.300 1 774 79 79 LEU CG C 27.082 0.300 1 775 79 79 LEU CD1 C 23.559 0.300 2 776 79 79 LEU CD2 C 25.048 0.300 2 777 79 79 LEU N N 121.832 0.300 1 778 80 80 LEU H H 8.063 0.030 1 779 80 80 LEU HA H 4.418 0.030 1 780 80 80 LEU HB2 H 1.596 0.030 2 781 80 80 LEU HB3 H 1.669 0.030 2 782 80 80 LEU HG H 1.601 0.030 1 783 80 80 LEU HD1 H 0.903 0.030 1 784 80 80 LEU HD2 H 0.857 0.030 1 785 80 80 LEU C C 177.476 0.300 1 786 80 80 LEU CA C 55.171 0.300 1 787 80 80 LEU CB C 42.085 0.300 1 788 80 80 LEU CG C 26.911 0.300 1 789 80 80 LEU CD1 C 25.020 0.300 2 790 80 80 LEU CD2 C 23.293 0.300 2 791 80 80 LEU N N 122.591 0.300 1 792 81 81 THR H H 8.054 0.030 1 793 81 81 THR HA H 4.349 0.030 1 794 81 81 THR HB H 4.238 0.030 1 795 81 81 THR HG2 H 1.193 0.030 1 796 81 81 THR C C 174.556 0.300 1 797 81 81 THR CA C 61.785 0.300 1 798 81 81 THR CB C 69.872 0.300 1 799 81 81 THR CG2 C 21.569 0.300 1 800 81 81 THR N N 114.581 0.300 1 801 82 82 GLU H H 8.410 0.030 1 802 82 82 GLU HA H 4.319 0.030 1 803 82 82 GLU HB2 H 1.952 0.030 1 804 82 82 GLU HB3 H 1.952 0.030 1 805 82 82 GLU HG2 H 2.229 0.030 1 806 82 82 GLU HG3 H 2.229 0.030 1 807 82 82 GLU C C 176.519 0.300 1 808 82 82 GLU CA C 56.625 0.300 1 809 82 82 GLU CB C 30.364 0.300 1 810 82 82 GLU CG C 36.120 0.300 1 811 82 82 GLU N N 123.045 0.300 1 812 83 83 GLU H H 8.465 0.030 1 813 83 83 GLU HA H 4.315 0.030 1 814 83 83 GLU HB2 H 1.946 0.030 2 815 83 83 GLU HB3 H 2.074 0.030 2 816 83 83 GLU HG2 H 2.239 0.030 1 817 83 83 GLU HG3 H 2.239 0.030 1 818 83 83 GLU C C 176.555 0.300 1 819 83 83 GLU CA C 56.668 0.300 1 820 83 83 GLU CB C 30.323 0.300 1 821 83 83 GLU CG C 36.202 0.300 1 822 83 83 GLU N N 122.211 0.300 1 823 84 84 SER H H 8.372 0.030 1 824 84 84 SER HA H 4.401 0.030 1 825 84 84 SER HB2 H 3.851 0.030 2 826 84 84 SER HB3 H 3.912 0.030 2 827 84 84 SER C C 174.629 0.300 1 828 84 84 SER CA C 58.445 0.300 1 829 84 84 SER CB C 63.911 0.300 1 830 84 84 SER N N 117.074 0.300 1 831 85 85 GLY H H 8.257 0.030 1 832 85 85 GLY HA2 H 4.071 0.030 2 833 85 85 GLY HA3 H 4.190 0.030 2 834 85 85 GLY C C 171.746 0.300 1 835 85 85 GLY CA C 44.674 0.300 1 836 85 85 GLY N N 110.747 0.300 1 837 86 86 PRO HA H 4.487 0.030 1 838 86 86 PRO HB2 H 2.251 0.030 2 839 86 86 PRO HB3 H 1.949 0.030 2 840 86 86 PRO HG2 H 2.005 0.030 1 841 86 86 PRO HG3 H 2.005 0.030 1 842 86 86 PRO HD2 H 3.631 0.030 1 843 86 86 PRO HD3 H 3.631 0.030 1 844 86 86 PRO C C 177.415 0.300 1 845 86 86 PRO CA C 63.208 0.300 1 846 86 86 PRO CB C 32.009 0.300 1 847 86 86 PRO CG C 27.075 0.300 1 848 86 86 PRO CD C 49.851 0.300 1 849 87 87 SER H H 8.544 0.030 1 850 87 87 SER C C 174.750 0.300 1 851 87 87 SER CA C 58.364 0.300 1 852 87 87 SER CB C 63.911 0.300 1 853 87 87 SER N N 116.549 0.300 1 stop_ save_