data_11266 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the N-terminal Ubiquitin-like Domain in Human Np95/ICBP90-like Ring Finger Protein (NIRF) ; _BMRB_accession_number 11266 _BMRB_flat_file_name bmr11266.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao C. . . 2 Saito K. . . 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" 485 "13C chemical shifts" 368 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the N-terminal Ubiquitin-like Domain in Human Np95/ICBP90-like Ring Finger Protein (NIRF) ; _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 Zhao C. . . 2 Saito K. . . 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 'Np95-like ring finger protein, isoform a' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ubiquitin-like domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ubiquitin-like domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; GSSGSSGMWIQVRTIDGSKT CTIEDVSRKATIEELRERVW ALFDVRPECQRLFYRGKQLE NGYTLFDYDVGLNDIIQLLV RPDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 TRP 10 ILE 11 GLN 12 VAL 13 ARG 14 THR 15 ILE 16 ASP 17 GLY 18 SER 19 LYS 20 THR 21 CYS 22 THR 23 ILE 24 GLU 25 ASP 26 VAL 27 SER 28 ARG 29 LYS 30 ALA 31 THR 32 ILE 33 GLU 34 GLU 35 LEU 36 ARG 37 GLU 38 ARG 39 VAL 40 TRP 41 ALA 42 LEU 43 PHE 44 ASP 45 VAL 46 ARG 47 PRO 48 GLU 49 CYS 50 GLN 51 ARG 52 LEU 53 PHE 54 TYR 55 ARG 56 GLY 57 LYS 58 GLN 59 LEU 60 GLU 61 ASN 62 GLY 63 TYR 64 THR 65 LEU 66 PHE 67 ASP 68 TYR 69 ASP 70 VAL 71 GLY 72 LEU 73 ASN 74 ASP 75 ILE 76 ILE 77 GLN 78 LEU 79 LEU 80 VAL 81 ARG 82 PRO 83 ASP 84 SER 85 GLY 86 PRO 87 SER 88 SER 89 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1WY8 "Solution Structure Of The N-Terminal Ubiquitin-Like Domain In Human Np95ICBP90-Like Ring Finger Protein (Nirf)" 100.00 89 100.00 100.00 2.75e-57 DBJ BAB68317 "Np95-like ring finger protein [Homo sapiens]" 85.39 802 100.00 100.00 6.91e-44 DBJ BAC31223 "unnamed protein product [Mus musculus]" 86.52 195 97.40 98.70 8.38e-47 DBJ BAC38081 "unnamed protein product [Mus musculus]" 86.52 516 97.40 98.70 4.78e-43 DBJ BAC81739 "Np95-like ring finger protein [Mus musculus]" 86.52 803 97.40 98.70 3.51e-42 DBJ BAE00280 "unnamed protein product [Macaca fascicularis]" 85.39 179 100.00 100.00 4.94e-48 GB AAH28397 "UHRF2 protein [Homo sapiens]" 85.39 503 100.00 100.00 7.64e-45 GB AAH60241 "Ubiquitin-like, containing PHD and RING finger domains 2 [Mus musculus]" 86.52 803 97.40 98.70 3.51e-42 GB AAI48950 "UHRF2 protein [Bos taurus]" 85.39 583 97.37 98.68 2.58e-42 GB AAM33798 "nuclear zinc finger protein Np97 [Mus musculus]" 86.52 803 97.40 98.70 3.44e-42 GB AAM33799 "nuclear zinc finger protein Np97 [Homo sapiens]" 85.39 802 100.00 100.00 6.91e-44 REF NP_001095740 "E3 ubiquitin-protein ligase UHRF2 [Bos taurus]" 85.39 583 97.37 98.68 2.58e-42 REF NP_659122 "E3 ubiquitin-protein ligase UHRF2 [Mus musculus]" 86.52 803 97.40 98.70 3.51e-42 REF NP_690856 "E3 ubiquitin-protein ligase UHRF2 [Homo sapiens]" 85.39 802 100.00 100.00 6.91e-44 REF XP_001142916 "PREDICTED: E3 ubiquitin-protein ligase UHRF2 isoform X1 [Pan troglodytes]" 85.39 802 100.00 100.00 6.77e-44 REF XP_002742966 "PREDICTED: E3 ubiquitin-protein ligase UHRF2 isoform X1 [Callithrix jacchus]" 85.39 802 100.00 100.00 6.25e-44 SP Q7TMI3 "RecName: Full=E3 ubiquitin-protein ligase UHRF2; AltName: Full=NIRF; AltName: Full=Np95-like ring finger protein; AltName: Full" 86.52 803 97.40 98.70 3.51e-42 SP Q96PU4 "RecName: Full=E3 ubiquitin-protein ligase UHRF2; AltName: Full=Np95/ICBP90-like RING finger protein; Short=Np95-like RING finge" 85.39 802 100.00 100.00 6.91e-44 TPG DAA26932 "TPA: ubiquitin-like with PHD and ring finger domains 2 [Bos taurus]" 85.39 465 97.37 98.68 1.17e-42 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P041101-10 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.91mM protein U-15N, 13C/20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.91 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.921 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' 100 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298.0 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 'ubiquitin-like domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 4.186 0.030 2 2 7 7 GLY HA3 H 3.939 0.030 2 3 7 7 GLY C C 173.155 0.300 1 4 7 7 GLY CA C 45.216 0.300 1 5 8 8 MET H H 8.671 0.030 1 6 8 8 MET HA H 4.522 0.030 1 7 8 8 MET HB2 H 1.840 0.030 2 8 8 8 MET HB3 H 2.034 0.030 2 9 8 8 MET HE H 1.751 0.030 1 10 8 8 MET HG2 H 2.190 0.030 2 11 8 8 MET HG3 H 2.386 0.030 2 12 8 8 MET C C 172.889 0.300 1 13 8 8 MET CA C 55.057 0.300 1 14 8 8 MET CB C 34.644 0.300 1 15 8 8 MET CE C 17.709 0.300 1 16 8 8 MET CG C 32.145 0.300 1 17 8 8 MET N N 119.818 0.300 1 18 9 9 TRP H H 6.712 0.030 1 19 9 9 TRP HA H 5.659 0.030 1 20 9 9 TRP HB2 H 3.468 0.030 2 21 9 9 TRP HB3 H 3.111 0.030 2 22 9 9 TRP HD1 H 7.038 0.030 1 23 9 9 TRP HE1 H 10.084 0.030 1 24 9 9 TRP HE3 H 7.552 0.030 1 25 9 9 TRP HH2 H 7.222 0.030 1 26 9 9 TRP HZ2 H 7.459 0.030 1 27 9 9 TRP HZ3 H 7.085 0.030 1 28 9 9 TRP C C 174.633 0.300 1 29 9 9 TRP CA C 55.936 0.300 1 30 9 9 TRP CB C 31.806 0.300 1 31 9 9 TRP CD1 C 126.671 0.300 1 32 9 9 TRP CE3 C 121.305 0.300 1 33 9 9 TRP CH2 C 124.884 0.300 1 34 9 9 TRP CZ2 C 114.736 0.300 1 35 9 9 TRP CZ3 C 122.316 0.300 1 36 9 9 TRP N N 118.461 0.300 1 37 9 9 TRP NE1 N 129.671 0.300 1 38 10 10 ILE H H 8.382 0.030 1 39 10 10 ILE HA H 4.717 0.030 1 40 10 10 ILE HB H 2.016 0.030 1 41 10 10 ILE HD1 H 0.698 0.030 1 42 10 10 ILE HG12 H 1.241 0.030 2 43 10 10 ILE HG13 H 0.984 0.030 2 44 10 10 ILE HG2 H 0.803 0.030 1 45 10 10 ILE C C 173.906 0.300 1 46 10 10 ILE CA C 59.736 0.300 1 47 10 10 ILE CB C 42.537 0.300 1 48 10 10 ILE CD1 C 14.531 0.300 1 49 10 10 ILE CG1 C 25.900 0.300 1 50 10 10 ILE CG2 C 18.925 0.300 1 51 10 10 ILE N N 113.716 0.300 1 52 11 11 GLN H H 9.070 0.030 1 53 11 11 GLN HA H 5.413 0.030 1 54 11 11 GLN HB2 H 1.945 0.030 1 55 11 11 GLN HB3 H 1.945 0.030 1 56 11 11 GLN HE21 H 6.874 0.030 2 57 11 11 GLN HE22 H 7.192 0.030 2 58 11 11 GLN HG2 H 2.275 0.030 2 59 11 11 GLN HG3 H 2.203 0.030 2 60 11 11 GLN C C 174.560 0.300 1 61 11 11 GLN CA C 54.670 0.300 1 62 11 11 GLN CB C 33.246 0.300 1 63 11 11 GLN CG C 34.952 0.300 1 64 11 11 GLN N N 119.674 0.300 1 65 11 11 GLN NE2 N 111.313 0.300 1 66 12 12 VAL H H 8.951 0.030 1 67 12 12 VAL HA H 5.358 0.030 1 68 12 12 VAL HB H 1.955 0.030 1 69 12 12 VAL HG1 H 0.527 0.030 1 70 12 12 VAL HG2 H 0.817 0.030 1 71 12 12 VAL C C 174.003 0.300 1 72 12 12 VAL CA C 60.475 0.300 1 73 12 12 VAL CB C 34.068 0.300 1 74 12 12 VAL CG1 C 22.311 0.300 2 75 12 12 VAL CG2 C 21.449 0.300 2 76 12 12 VAL N N 121.289 0.300 1 77 13 13 ARG H H 8.818 0.030 1 78 13 13 ARG HA H 5.850 0.030 1 79 13 13 ARG HB2 H 1.720 0.030 2 80 13 13 ARG HB3 H 1.752 0.030 2 81 13 13 ARG HD2 H 3.155 0.030 2 82 13 13 ARG HD3 H 3.243 0.030 2 83 13 13 ARG HE H 8.850 0.030 1 84 13 13 ARG HG2 H 2.024 0.030 2 85 13 13 ARG HG3 H 1.756 0.030 2 86 13 13 ARG C C 176.814 0.300 1 87 13 13 ARG CA C 53.262 0.300 1 88 13 13 ARG CB C 35.877 0.300 1 89 13 13 ARG CD C 44.478 0.300 1 90 13 13 ARG CG C 25.848 0.300 1 91 13 13 ARG N N 127.102 0.300 1 92 13 13 ARG NE N 84.000 0.300 1 93 14 14 THR H H 8.896 0.030 1 94 14 14 THR HA H 4.916 0.030 1 95 14 14 THR HB H 4.743 0.030 1 96 14 14 THR HG2 H 1.460 0.030 1 97 14 14 THR C C 178.621 0.300 1 98 14 14 THR CA C 62.316 0.300 1 99 14 14 THR CB C 69.731 0.300 1 100 14 14 THR CG2 C 24.204 0.300 1 101 14 14 THR N N 115.625 0.300 1 102 15 15 ILE H H 8.298 0.030 1 103 15 15 ILE HA H 3.961 0.030 1 104 15 15 ILE HB H 1.807 0.030 1 105 15 15 ILE HD1 H 0.722 0.030 1 106 15 15 ILE HG12 H 1.481 0.030 2 107 15 15 ILE HG13 H 1.281 0.030 2 108 15 15 ILE HG2 H 0.981 0.030 1 109 15 15 ILE C C 175.966 0.300 1 110 15 15 ILE CA C 63.532 0.300 1 111 15 15 ILE CB C 38.490 0.300 1 112 15 15 ILE CD1 C 13.563 0.300 1 113 15 15 ILE CG1 C 28.647 0.300 1 114 15 15 ILE CG2 C 17.509 0.300 1 115 15 15 ILE N N 123.166 0.300 1 116 16 16 ASP H H 8.077 0.030 1 117 16 16 ASP HA H 4.569 0.030 1 118 16 16 ASP HB2 H 3.117 0.030 2 119 16 16 ASP HB3 H 2.717 0.030 2 120 16 16 ASP C C 177.371 0.300 1 121 16 16 ASP CA C 53.535 0.300 1 122 16 16 ASP CB C 40.367 0.300 1 123 16 16 ASP N N 117.225 0.300 1 124 17 17 GLY H H 8.282 0.030 1 125 17 17 GLY HA2 H 4.185 0.030 2 126 17 17 GLY HA3 H 3.534 0.030 2 127 17 17 GLY C C 175.053 0.300 1 128 17 17 GLY CA C 45.536 0.300 1 129 17 17 GLY N N 109.049 0.300 1 130 18 18 SER H H 8.194 0.030 1 131 18 18 SER HA H 4.124 0.030 1 132 18 18 SER HB2 H 3.939 0.030 1 133 18 18 SER HB3 H 3.939 0.030 1 134 18 18 SER C C 174.512 0.300 1 135 18 18 SER CA C 60.940 0.300 1 136 18 18 SER CB C 63.718 0.300 1 137 18 18 SER N N 116.216 0.300 1 138 19 19 LYS H H 7.664 0.030 1 139 19 19 LYS HA H 4.746 0.030 1 140 19 19 LYS HB2 H 1.883 0.030 2 141 19 19 LYS HB3 H 1.843 0.030 2 142 19 19 LYS HD2 H 1.612 0.030 1 143 19 19 LYS HD3 H 1.612 0.030 1 144 19 19 LYS HE2 H 2.652 0.030 2 145 19 19 LYS HE3 H 2.692 0.030 2 146 19 19 LYS HG2 H 1.247 0.030 2 147 19 19 LYS HG3 H 1.440 0.030 2 148 19 19 LYS C C 174.367 0.300 1 149 19 19 LYS CA C 56.992 0.300 1 150 19 19 LYS CB C 36.124 0.300 1 151 19 19 LYS CD C 29.596 0.300 1 152 19 19 LYS CE C 42.094 0.300 1 153 19 19 LYS CG C 25.320 0.300 1 154 19 19 LYS N N 122.575 0.300 1 155 20 20 THR H H 8.492 0.030 1 156 20 20 THR HA H 5.552 0.030 1 157 20 20 THR HB H 3.991 0.030 1 158 20 20 THR HG2 H 1.229 0.030 1 159 20 20 THR C C 174.246 0.300 1 160 20 20 THR CA C 61.471 0.300 1 161 20 20 THR CB C 71.233 0.300 1 162 20 20 THR CG2 C 21.127 0.300 1 163 20 20 THR N N 121.235 0.300 1 164 21 21 CYS H H 9.353 0.030 1 165 21 21 CYS HA H 4.892 0.030 1 166 21 21 CYS HB2 H 2.461 0.030 2 167 21 21 CYS HB3 H 3.004 0.030 2 168 21 21 CYS C C 173.398 0.300 1 169 21 21 CYS CA C 57.625 0.300 1 170 21 21 CYS CB C 32.374 0.300 1 171 21 21 CYS N N 122.518 0.300 1 172 22 22 THR H H 8.842 0.030 1 173 22 22 THR HA H 4.833 0.030 1 174 22 22 THR HB H 3.972 0.030 1 175 22 22 THR HG2 H 1.112 0.030 1 176 22 22 THR C C 173.519 0.300 1 177 22 22 THR CA C 69.588 0.300 1 178 22 22 THR CB C 69.588 0.300 1 179 22 22 THR CG2 C 22.360 0.300 1 180 22 22 THR N N 120.373 0.300 1 181 23 23 ILE H H 9.264 0.030 1 182 23 23 ILE HA H 4.126 0.030 1 183 23 23 ILE HB H 1.843 0.030 1 184 23 23 ILE HD1 H 0.714 0.030 1 185 23 23 ILE HG12 H 1.425 0.030 2 186 23 23 ILE HG13 H 1.108 0.030 2 187 23 23 ILE HG2 H 0.816 0.030 1 188 23 23 ILE C C 174.332 0.300 1 189 23 23 ILE CA C 60.616 0.300 1 190 23 23 ILE CB C 37.311 0.300 1 191 23 23 ILE CD1 C 13.652 0.300 1 192 23 23 ILE CG1 C 27.296 0.300 1 193 23 23 ILE CG2 C 18.021 0.300 1 194 23 23 ILE N N 128.416 0.300 1 195 24 24 GLU H H 8.447 0.030 1 196 24 24 GLU HA H 4.392 0.030 1 197 24 24 GLU HB2 H 1.849 0.030 2 198 24 24 GLU HB3 H 1.969 0.030 2 199 24 24 GLU HG2 H 2.107 0.030 2 200 24 24 GLU HG3 H 1.926 0.030 2 201 24 24 GLU C C 175.893 0.300 1 202 24 24 GLU CA C 56.006 0.300 1 203 24 24 GLU CB C 31.519 0.300 1 204 24 24 GLU CG C 36.700 0.300 1 205 24 24 GLU N N 124.667 0.300 1 206 25 25 ASP H H 8.458 0.030 1 207 25 25 ASP HA H 4.364 0.030 1 208 25 25 ASP HB2 H 2.613 0.030 2 209 25 25 ASP HB3 H 2.939 0.030 2 210 25 25 ASP C C 175.166 0.300 1 211 25 25 ASP CA C 55.197 0.300 1 212 25 25 ASP CB C 39.742 0.300 1 213 25 25 ASP N N 118.789 0.300 1 214 26 26 VAL H H 8.273 0.030 1 215 26 26 VAL HA H 4.412 0.030 1 216 26 26 VAL HB H 1.782 0.030 1 217 26 26 VAL HG1 H 0.749 0.030 1 218 26 26 VAL HG2 H 0.775 0.030 1 219 26 26 VAL C C 174.270 0.300 1 220 26 26 VAL CA C 59.968 0.300 1 221 26 26 VAL CB C 34.150 0.300 1 222 26 26 VAL CG1 C 21.003 0.300 2 223 26 26 VAL CG2 C 21.184 0.300 2 224 26 26 VAL N N 117.744 0.300 1 225 27 27 SER H H 8.335 0.030 1 226 27 27 SER HA H 4.570 0.030 1 227 27 27 SER HB2 H 3.767 0.030 2 228 27 27 SER HB3 H 4.082 0.030 2 229 27 27 SER C C 176.232 0.300 1 230 27 27 SER CA C 57.370 0.300 1 231 27 27 SER CB C 64.130 0.300 1 232 27 27 SER N N 119.041 0.300 1 233 28 28 ARG H H 8.877 0.030 1 234 28 28 ARG HA H 4.078 0.030 1 235 28 28 ARG HB2 H 1.848 0.030 2 236 28 28 ARG HB3 H 1.911 0.030 2 237 28 28 ARG HD2 H 3.279 0.030 1 238 28 28 ARG HD3 H 3.279 0.030 1 239 28 28 ARG HG2 H 1.772 0.030 2 240 28 28 ARG HG3 H 1.830 0.030 2 241 28 28 ARG C C 176.305 0.300 1 242 28 28 ARG CA C 59.508 0.300 1 243 28 28 ARG CB C 30.039 0.300 1 244 28 28 ARG CD C 43.821 0.300 1 245 28 28 ARG CG C 28.647 0.300 1 246 28 28 ARG N N 123.660 0.300 1 247 29 29 LYS H H 7.931 0.030 1 248 29 29 LYS HA H 4.440 0.030 1 249 29 29 LYS HB2 H 2.055 0.030 2 250 29 29 LYS HB3 H 1.602 0.030 2 251 29 29 LYS HD2 H 1.535 0.030 1 252 29 29 LYS HD3 H 1.535 0.030 1 253 29 29 LYS HE2 H 2.665 0.030 2 254 29 29 LYS HE3 H 2.530 0.030 2 255 29 29 LYS HG2 H 1.358 0.030 2 256 29 29 LYS HG3 H 1.204 0.030 2 257 29 29 LYS C C 175.505 0.300 1 258 29 29 LYS CA C 54.705 0.300 1 259 29 29 LYS CB C 32.024 0.300 1 260 29 29 LYS CD C 29.103 0.300 1 261 29 29 LYS CE C 41.929 0.300 1 262 29 29 LYS CG C 25.320 0.300 1 263 29 29 LYS N N 113.597 0.300 1 264 30 30 ALA H H 7.543 0.030 1 265 30 30 ALA HA H 4.317 0.030 1 266 30 30 ALA HB H 1.445 0.030 1 267 30 30 ALA C C 177.662 0.300 1 268 30 30 ALA CA C 52.910 0.300 1 269 30 30 ALA CB C 18.528 0.300 1 270 30 30 ALA N N 122.790 0.300 1 271 31 31 THR H H 8.529 0.030 1 272 31 31 THR HA H 4.722 0.030 1 273 31 31 THR HB H 4.885 0.030 1 274 31 31 THR HG2 H 1.369 0.030 1 275 31 31 THR C C 176.160 0.300 1 276 31 31 THR CA C 60.721 0.300 1 277 31 31 THR CB C 71.233 0.300 1 278 31 31 THR CG2 C 22.607 0.300 1 279 31 31 THR N N 111.455 0.300 1 280 32 32 ILE H H 8.513 0.030 1 281 32 32 ILE HA H 3.744 0.030 1 282 32 32 ILE HB H 2.262 0.030 1 283 32 32 ILE HD1 H 0.620 0.030 1 284 32 32 ILE HG12 H 1.535 0.030 2 285 32 32 ILE HG13 H 1.909 0.030 2 286 32 32 ILE HG2 H 0.707 0.030 1 287 32 32 ILE C C 178.631 0.300 1 288 32 32 ILE CA C 61.914 0.300 1 289 32 32 ILE CB C 34.726 0.300 1 290 32 32 ILE CD1 C 8.920 0.300 1 291 32 32 ILE CG1 C 27.746 0.300 1 292 32 32 ILE CG2 C 18.023 0.300 1 293 32 32 ILE N N 120.333 0.300 1 294 33 33 GLU H H 10.519 0.030 1 295 33 33 GLU HA H 3.823 0.030 1 296 33 33 GLU HB2 H 2.033 0.030 2 297 33 33 GLU HB3 H 2.087 0.030 2 298 33 33 GLU HG2 H 2.618 0.030 2 299 33 33 GLU HG3 H 2.322 0.030 2 300 33 33 GLU C C 179.939 0.300 1 301 33 33 GLU CA C 62.350 0.300 1 302 33 33 GLU CB C 28.647 0.300 1 303 33 33 GLU CG C 37.357 0.300 1 304 33 33 GLU N N 121.379 0.300 1 305 34 34 GLU H H 8.044 0.030 1 306 34 34 GLU HA H 4.153 0.030 1 307 34 34 GLU HB2 H 2.408 0.030 2 308 34 34 GLU HB3 H 2.124 0.030 2 309 34 34 GLU HG2 H 2.325 0.030 2 310 34 34 GLU HG3 H 2.398 0.030 2 311 34 34 GLU C C 180.012 0.300 1 312 34 34 GLU CA C 59.419 0.300 1 313 34 34 GLU CB C 29.053 0.300 1 314 34 34 GLU CG C 37.212 0.300 1 315 34 34 GLU N N 121.774 0.300 1 316 35 35 LEU H H 8.239 0.030 1 317 35 35 LEU HA H 4.036 0.030 1 318 35 35 LEU HB2 H 2.327 0.030 2 319 35 35 LEU HB3 H 1.348 0.030 2 320 35 35 LEU HD1 H 0.843 0.030 1 321 35 35 LEU HD2 H 0.768 0.030 1 322 35 35 LEU HG H 1.549 0.030 1 323 35 35 LEU C C 178.994 0.300 1 324 35 35 LEU CA C 58.364 0.300 1 325 35 35 LEU CB C 41.220 0.300 1 326 35 35 LEU CD1 C 23.693 0.300 2 327 35 35 LEU CD2 C 26.845 0.300 2 328 35 35 LEU CG C 26.845 0.300 1 329 35 35 LEU N N 122.514 0.300 1 330 36 36 ARG H H 8.956 0.030 1 331 36 36 ARG HA H 4.683 0.030 1 332 36 36 ARG HB2 H 2.190 0.030 2 333 36 36 ARG HB3 H 1.439 0.030 2 334 36 36 ARG HD2 H 3.068 0.030 2 335 36 36 ARG HD3 H 3.156 0.030 2 336 36 36 ARG HE H 8.547 0.030 1 337 36 36 ARG HG2 H 1.981 0.030 2 338 36 36 ARG HG3 H 1.880 0.030 2 339 36 36 ARG C C 181.199 0.300 1 340 36 36 ARG CA C 59.208 0.300 1 341 36 36 ARG CB C 31.183 0.300 1 342 36 36 ARG CD C 43.058 0.300 1 343 36 36 ARG CG C 27.971 0.300 1 344 36 36 ARG N N 116.909 0.300 1 345 36 36 ARG NE N 89.281 0.300 1 346 37 37 GLU H H 7.772 0.030 1 347 37 37 GLU HA H 4.337 0.030 1 348 37 37 GLU HB2 H 2.412 0.030 1 349 37 37 GLU HB3 H 2.412 0.030 1 350 37 37 GLU HG2 H 2.458 0.030 2 351 37 37 GLU HG3 H 2.656 0.030 2 352 37 37 GLU C C 179.770 0.300 1 353 37 37 GLU CA C 60.473 0.300 1 354 37 37 GLU CB C 29.287 0.300 1 355 37 37 GLU CG C 36.406 0.300 1 356 37 37 GLU N N 119.946 0.300 1 357 38 38 ARG H H 7.897 0.030 1 358 38 38 ARG HA H 4.320 0.030 1 359 38 38 ARG HB2 H 2.014 0.030 2 360 38 38 ARG HB3 H 2.251 0.030 2 361 38 38 ARG HD2 H 3.206 0.030 2 362 38 38 ARG HD3 H 3.304 0.030 2 363 38 38 ARG HG2 H 1.784 0.030 2 364 38 38 ARG HG3 H 2.005 0.030 2 365 38 38 ARG C C 179.624 0.300 1 366 38 38 ARG CA C 57.675 0.300 1 367 38 38 ARG CB C 29.299 0.300 1 368 38 38 ARG CD C 41.683 0.300 1 369 38 38 ARG CG C 26.845 0.300 1 370 38 38 ARG N N 119.384 0.300 1 371 39 39 VAL H H 8.790 0.030 1 372 39 39 VAL HA H 3.708 0.030 1 373 39 39 VAL HB H 2.402 0.030 1 374 39 39 VAL HG1 H 0.773 0.030 1 375 39 39 VAL HG2 H 0.966 0.030 1 376 39 39 VAL C C 177.880 0.300 1 377 39 39 VAL CA C 66.842 0.300 1 378 39 39 VAL CB C 31.519 0.300 1 379 39 39 VAL CG1 C 21.929 0.300 2 380 39 39 VAL CG2 C 24.368 0.300 2 381 39 39 VAL N N 119.917 0.300 1 382 40 40 TRP H H 8.682 0.030 1 383 40 40 TRP HA H 4.896 0.030 1 384 40 40 TRP HB2 H 3.802 0.030 2 385 40 40 TRP HB3 H 3.145 0.030 2 386 40 40 TRP HD1 H 6.964 0.030 1 387 40 40 TRP HE1 H 10.375 0.030 1 388 40 40 TRP HE3 H 7.566 0.030 1 389 40 40 TRP HH2 H 7.301 0.030 1 390 40 40 TRP HZ2 H 7.515 0.030 1 391 40 40 TRP HZ3 H 7.259 0.030 1 392 40 40 TRP C C 178.534 0.300 1 393 40 40 TRP CA C 58.997 0.300 1 394 40 40 TRP CB C 29.710 0.300 1 395 40 40 TRP CD1 C 125.571 0.300 1 396 40 40 TRP CE3 C 120.764 0.300 1 397 40 40 TRP CH2 C 125.153 0.300 1 398 40 40 TRP CZ2 C 114.693 0.300 1 399 40 40 TRP CZ3 C 122.554 0.300 1 400 40 40 TRP N N 123.744 0.300 1 401 40 40 TRP NE1 N 129.812 0.300 1 402 41 41 ALA H H 7.377 0.030 1 403 41 41 ALA HA H 3.814 0.030 1 404 41 41 ALA HB H 1.455 0.030 1 405 41 41 ALA C C 179.266 0.300 1 406 41 41 ALA CA C 54.670 0.300 1 407 41 41 ALA CB C 18.610 0.300 1 408 41 41 ALA N N 119.737 0.300 1 409 42 42 LEU H H 7.539 0.030 1 410 42 42 LEU HA H 4.257 0.030 1 411 42 42 LEU HB2 H 1.457 0.030 2 412 42 42 LEU HB3 H 1.729 0.030 2 413 42 42 LEU HD1 H 0.890 0.030 1 414 42 42 LEU HD2 H 0.868 0.030 1 415 42 42 LEU HG H 1.742 0.030 1 416 42 42 LEU C C 178.001 0.300 1 417 42 42 LEU CA C 56.499 0.300 1 418 42 42 LEU CB C 44.333 0.300 1 419 42 42 LEU CD1 C 22.525 0.300 2 420 42 42 LEU CD2 C 26.406 0.300 2 421 42 42 LEU CG C 27.296 0.300 1 422 42 42 LEU N N 115.844 0.300 1 423 43 43 PHE H H 8.935 0.030 1 424 43 43 PHE HA H 4.479 0.030 1 425 43 43 PHE HB2 H 2.827 0.030 2 426 43 43 PHE HB3 H 3.111 0.030 2 427 43 43 PHE HD1 H 7.428 0.030 1 428 43 43 PHE HD2 H 7.428 0.030 1 429 43 43 PHE HE1 H 7.061 0.030 1 430 43 43 PHE HE2 H 7.061 0.030 1 431 43 43 PHE HZ H 7.375 0.030 1 432 43 43 PHE C C 175.699 0.300 1 433 43 43 PHE CA C 57.981 0.300 1 434 43 43 PHE CB C 39.659 0.300 1 435 43 43 PHE CD1 C 132.425 0.300 1 436 43 43 PHE CD2 C 132.425 0.300 1 437 43 43 PHE CE1 C 130.031 0.300 1 438 43 43 PHE CE2 C 130.031 0.300 1 439 43 43 PHE CZ C 130.027 0.300 1 440 43 43 PHE N N 114.002 0.300 1 441 44 44 ASP H H 8.346 0.030 1 442 44 44 ASP HA H 4.664 0.030 1 443 44 44 ASP HB2 H 2.585 0.030 2 444 44 44 ASP HB3 H 3.231 0.030 2 445 44 44 ASP C C 174.367 0.300 1 446 44 44 ASP CA C 55.831 0.300 1 447 44 44 ASP CB C 39.680 0.300 1 448 44 44 ASP N N 119.118 0.300 1 449 45 45 VAL H H 6.559 0.030 1 450 45 45 VAL HA H 4.410 0.030 1 451 45 45 VAL HB H 1.633 0.030 1 452 45 45 VAL HG1 H 0.935 0.030 1 453 45 45 VAL HG2 H 0.955 0.030 1 454 45 45 VAL C C 174.997 0.300 1 455 45 45 VAL CA C 60.288 0.300 1 456 45 45 VAL CB C 34.562 0.300 1 457 45 45 VAL CG1 C 22.525 0.300 2 458 45 45 VAL CG2 C 21.115 0.300 2 459 45 45 VAL N N 115.300 0.300 1 460 46 46 ARG H H 8.958 0.030 1 461 46 46 ARG HA H 2.955 0.030 1 462 46 46 ARG HB2 H 1.576 0.030 2 463 46 46 ARG HB3 H 1.311 0.030 2 464 46 46 ARG HD2 H 3.128 0.030 2 465 46 46 ARG HD3 H 3.033 0.030 2 466 46 46 ARG HG2 H 1.662 0.030 2 467 46 46 ARG HG3 H 1.252 0.030 2 468 46 46 ARG C C 175.505 0.300 1 469 46 46 ARG CA C 55.438 0.300 1 470 46 46 ARG CB C 28.431 0.300 1 471 46 46 ARG CD C 42.833 0.300 1 472 46 46 ARG CG C 28.196 0.300 1 473 46 46 ARG N N 128.231 0.300 1 474 47 47 PRO HA H 3.915 0.030 1 475 47 47 PRO HB2 H 2.209 0.030 2 476 47 47 PRO HB3 H 1.851 0.030 2 477 47 47 PRO HD2 H 2.661 0.030 2 478 47 47 PRO HD3 H 2.746 0.030 2 479 47 47 PRO HG2 H 2.124 0.030 2 480 47 47 PRO HG3 H 1.466 0.030 2 481 47 47 PRO C C 178.171 0.300 1 482 47 47 PRO CA C 67.018 0.300 1 483 47 47 PRO CB C 32.917 0.300 1 484 47 47 PRO CD C 49.506 0.300 1 485 47 47 PRO CG C 27.746 0.300 1 486 48 48 GLU H H 9.833 0.030 1 487 48 48 GLU HA H 4.180 0.030 1 488 48 48 GLU HB2 H 2.022 0.030 2 489 48 48 GLU HB3 H 2.058 0.030 2 490 48 48 GLU HG2 H 2.354 0.030 1 491 48 48 GLU HG3 H 2.354 0.030 1 492 48 48 GLU C C 177.419 0.300 1 493 48 48 GLU CA C 58.530 0.300 1 494 48 48 GLU CB C 27.859 0.300 1 495 48 48 GLU CG C 35.796 0.300 1 496 48 48 GLU N N 115.142 0.300 1 497 49 49 CYS H H 8.062 0.030 1 498 49 49 CYS HA H 4.423 0.030 1 499 49 49 CYS HB2 H 3.409 0.030 2 500 49 49 CYS HB3 H 2.691 0.030 2 501 49 49 CYS C C 172.961 0.300 1 502 49 49 CYS CA C 58.864 0.300 1 503 49 49 CYS CB C 28.724 0.300 1 504 49 49 CYS N N 118.338 0.300 1 505 50 50 GLN H H 7.220 0.030 1 506 50 50 GLN HA H 4.126 0.030 1 507 50 50 GLN HB2 H 1.958 0.030 2 508 50 50 GLN HB3 H 1.578 0.030 2 509 50 50 GLN HE21 H 6.870 0.030 2 510 50 50 GLN HE22 H 7.211 0.030 2 511 50 50 GLN HG2 H 2.561 0.030 2 512 50 50 GLN HG3 H 1.628 0.030 2 513 50 50 GLN C C 177.032 0.300 1 514 50 50 GLN CA C 55.457 0.300 1 515 50 50 GLN CB C 30.615 0.300 1 516 50 50 GLN CG C 32.747 0.300 1 517 50 50 GLN N N 117.849 0.300 1 518 50 50 GLN NE2 N 104.428 0.300 1 519 51 51 ARG H H 8.610 0.030 1 520 51 51 ARG HA H 4.420 0.030 1 521 51 51 ARG HB2 H 1.562 0.030 2 522 51 51 ARG HB3 H 1.979 0.030 2 523 51 51 ARG HD2 H 3.103 0.030 2 524 51 51 ARG HD3 H 3.214 0.030 2 525 51 51 ARG HG2 H 1.443 0.030 2 526 51 51 ARG HG3 H 1.565 0.030 2 527 51 51 ARG C C 173.494 0.300 1 528 51 51 ARG CA C 55.338 0.300 1 529 51 51 ARG CB C 30.862 0.300 1 530 51 51 ARG CD C 43.656 0.300 1 531 51 51 ARG CG C 26.883 0.300 1 532 51 51 ARG N N 123.567 0.300 1 533 52 52 LEU H H 8.517 0.030 1 534 52 52 LEU HA H 5.426 0.030 1 535 52 52 LEU HB2 H 1.036 0.030 2 536 52 52 LEU HB3 H 1.440 0.030 2 537 52 52 LEU HD1 H 0.742 0.030 1 538 52 52 LEU HD2 H 0.808 0.030 1 539 52 52 LEU HG H 1.407 0.030 1 540 52 52 LEU C C 175.796 0.300 1 541 52 52 LEU CA C 52.312 0.300 1 542 52 52 LEU CB C 45.050 0.300 1 543 52 52 LEU CD1 C 24.104 0.300 2 544 52 52 LEU CD2 C 25.719 0.300 2 545 52 52 LEU CG C 27.071 0.300 1 546 52 52 LEU N N 124.305 0.300 1 547 53 53 PHE H H 9.287 0.030 1 548 53 53 PHE HA H 5.387 0.030 1 549 53 53 PHE HB2 H 2.741 0.030 1 550 53 53 PHE HB3 H 2.741 0.030 1 551 53 53 PHE HD1 H 6.805 0.030 1 552 53 53 PHE HD2 H 6.805 0.030 1 553 53 53 PHE HE1 H 7.190 0.030 1 554 53 53 PHE HE2 H 7.190 0.030 1 555 53 53 PHE HZ H 7.170 0.030 1 556 53 53 PHE C C 174.875 0.300 1 557 53 53 PHE CA C 56.288 0.300 1 558 53 53 PHE CB C 44.264 0.300 1 559 53 53 PHE CD1 C 131.404 0.300 1 560 53 53 PHE CD2 C 131.404 0.300 1 561 53 53 PHE CE1 C 131.305 0.300 1 562 53 53 PHE CE2 C 131.305 0.300 1 563 53 53 PHE CZ C 129.196 0.300 1 564 53 53 PHE N N 119.146 0.300 1 565 54 54 TYR H H 9.028 0.030 1 566 54 54 TYR HA H 5.112 0.030 1 567 54 54 TYR HB2 H 2.656 0.030 2 568 54 54 TYR HB3 H 2.813 0.030 2 569 54 54 TYR HD1 H 7.252 0.030 1 570 54 54 TYR HD2 H 7.252 0.030 1 571 54 54 TYR HE1 H 6.917 0.030 1 572 54 54 TYR HE2 H 6.917 0.030 1 573 54 54 TYR C C 174.948 0.300 1 574 54 54 TYR CA C 56.851 0.300 1 575 54 54 TYR CB C 42.455 0.300 1 576 54 54 TYR CD1 C 133.282 0.300 1 577 54 54 TYR CD2 C 133.282 0.300 1 578 54 54 TYR CE1 C 120.283 0.300 1 579 54 54 TYR CE2 C 120.283 0.300 1 580 54 54 TYR N N 120.519 0.300 1 581 55 55 ARG H H 9.197 0.030 1 582 55 55 ARG HA H 3.621 0.030 1 583 55 55 ARG HB2 H 1.418 0.030 2 584 55 55 ARG HB3 H 1.743 0.030 2 585 55 55 ARG HD2 H 2.916 0.030 2 586 55 55 ARG HD3 H 2.960 0.030 2 587 55 55 ARG HG2 H 0.403 0.030 2 588 55 55 ARG HG3 H 1.046 0.030 2 589 55 55 ARG C C 176.329 0.300 1 590 55 55 ARG CA C 57.238 0.300 1 591 55 55 ARG CB C 27.819 0.300 1 592 55 55 ARG CD C 43.985 0.300 1 593 55 55 ARG CG C 26.851 0.300 1 594 55 55 ARG N N 127.650 0.300 1 595 56 56 GLY H H 8.775 0.030 1 596 56 56 GLY HA2 H 4.154 0.030 2 597 56 56 GLY HA3 H 3.538 0.030 2 598 56 56 GLY C C 173.664 0.300 1 599 56 56 GLY CA C 45.241 0.300 1 600 56 56 GLY N N 103.772 0.300 1 601 57 57 LYS H H 8.001 0.030 1 602 57 57 LYS HA H 4.642 0.030 1 603 57 57 LYS HB2 H 1.929 0.030 1 604 57 57 LYS HB3 H 1.929 0.030 1 605 57 57 LYS HD2 H 1.863 0.030 1 606 57 57 LYS HD3 H 1.863 0.030 1 607 57 57 LYS HE2 H 3.135 0.030 1 608 57 57 LYS HE3 H 3.135 0.030 1 609 57 57 LYS HG2 H 1.529 0.030 1 610 57 57 LYS HG3 H 1.529 0.030 1 611 57 57 LYS C C 175.094 0.300 1 612 57 57 LYS CA C 54.881 0.300 1 613 57 57 LYS CB C 34.233 0.300 1 614 57 57 LYS CD C 29.342 0.300 1 615 57 57 LYS CE C 42.341 0.300 1 616 57 57 LYS CG C 24.924 0.300 1 617 57 57 LYS N N 122.187 0.300 1 618 58 58 GLN H H 8.759 0.030 1 619 58 58 GLN HA H 4.056 0.030 1 620 58 58 GLN HB2 H 1.759 0.030 2 621 58 58 GLN HB3 H 1.844 0.030 2 622 58 58 GLN HE21 H 7.548 0.030 2 623 58 58 GLN HE22 H 6.766 0.030 2 624 58 58 GLN HG2 H 1.608 0.030 2 625 58 58 GLN HG3 H 1.890 0.030 2 626 58 58 GLN C C 175.384 0.300 1 627 58 58 GLN CA C 55.725 0.300 1 628 58 58 GLN CB C 29.548 0.300 1 629 58 58 GLN CG C 34.726 0.300 1 630 58 58 GLN N N 125.019 0.300 1 631 58 58 GLN NE2 N 111.483 0.300 1 632 59 59 LEU H H 8.501 0.030 1 633 59 59 LEU HA H 3.806 0.030 1 634 59 59 LEU HB2 H 1.333 0.030 2 635 59 59 LEU HB3 H 0.873 0.030 2 636 59 59 LEU HD1 H 0.430 0.030 1 637 59 59 LEU HD2 H -0.232 0.030 1 638 59 59 LEU HG H 1.093 0.030 1 639 59 59 LEU C C 176.548 0.300 1 640 59 59 LEU CA C 54.322 0.300 1 641 59 59 LEU CB C 40.975 0.300 1 642 59 59 LEU CD1 C 25.586 0.300 2 643 59 59 LEU CD2 C 20.248 0.300 2 644 59 59 LEU CG C 25.951 0.300 1 645 59 59 LEU N N 125.586 0.300 1 646 60 60 GLU H H 8.298 0.030 1 647 60 60 GLU HA H 4.624 0.030 1 648 60 60 GLU HB2 H 1.967 0.030 2 649 60 60 GLU HB3 H 2.285 0.030 2 650 60 60 GLU HG2 H 2.356 0.030 2 651 60 60 GLU HG3 H 2.209 0.030 2 652 60 60 GLU C C 174.560 0.300 1 653 60 60 GLU CA C 54.740 0.300 1 654 60 60 GLU CB C 32.999 0.300 1 655 60 60 GLU CG C 35.927 0.300 1 656 60 60 GLU N N 122.728 0.300 1 657 61 61 ASN H H 8.588 0.030 1 658 61 61 ASN HA H 4.570 0.030 1 659 61 61 ASN HB2 H 2.953 0.030 2 660 61 61 ASN HB3 H 2.727 0.030 2 661 61 61 ASN HD21 H 7.136 0.030 2 662 61 61 ASN HD22 H 7.592 0.030 2 663 61 61 ASN C C 176.475 0.300 1 664 61 61 ASN CA C 53.966 0.300 1 665 61 61 ASN CB C 37.406 0.300 1 666 61 61 ASN N N 118.427 0.300 1 667 61 61 ASN ND2 N 111.025 0.300 1 668 62 62 GLY H H 9.803 0.030 1 669 62 62 GLY HA2 H 4.141 0.030 2 670 62 62 GLY HA3 H 3.702 0.030 2 671 62 62 GLY C C 174.052 0.300 1 672 62 62 GLY CA C 45.065 0.300 1 673 62 62 GLY N N 110.512 0.300 1 674 63 63 TYR H H 7.333 0.030 1 675 63 63 TYR HA H 4.932 0.030 1 676 63 63 TYR HB2 H 3.380 0.030 2 677 63 63 TYR HB3 H 3.275 0.030 2 678 63 63 TYR HD1 H 7.164 0.030 1 679 63 63 TYR HD2 H 7.164 0.030 1 680 63 63 TYR HE1 H 6.718 0.030 1 681 63 63 TYR HE2 H 6.718 0.030 1 682 63 63 TYR C C 175.384 0.300 1 683 63 63 TYR CA C 57.203 0.300 1 684 63 63 TYR CB C 42.455 0.300 1 685 63 63 TYR CD1 C 133.787 0.300 1 686 63 63 TYR CD2 C 133.787 0.300 1 687 63 63 TYR CE1 C 118.580 0.300 1 688 63 63 TYR CE2 C 118.580 0.300 1 689 63 63 TYR N N 118.561 0.300 1 690 64 64 THR H H 9.706 0.030 1 691 64 64 THR HA H 5.442 0.030 1 692 64 64 THR HB H 4.367 0.030 1 693 64 64 THR HG2 H 1.213 0.030 1 694 64 64 THR C C 176.668 0.300 1 695 64 64 THR CA C 59.947 0.300 1 696 64 64 THR CB C 73.878 0.300 1 697 64 64 THR CG2 C 22.015 0.300 1 698 64 64 THR N N 111.368 0.300 1 699 65 65 LEU H H 8.573 0.030 1 700 65 65 LEU HA H 4.017 0.030 1 701 65 65 LEU HB2 H 1.269 0.030 2 702 65 65 LEU HB3 H 2.077 0.030 2 703 65 65 LEU HD1 H 0.839 0.030 1 704 65 65 LEU HD2 H 0.642 0.030 1 705 65 65 LEU HG H 1.778 0.030 1 706 65 65 LEU C C 179.237 0.300 1 707 65 65 LEU CA C 58.786 0.300 1 708 65 65 LEU CB C 41.031 0.300 1 709 65 65 LEU CD1 C 26.401 0.300 2 710 65 65 LEU CD2 C 22.854 0.300 2 711 65 65 LEU CG C 26.845 0.300 1 712 65 65 LEU N N 118.002 0.300 1 713 66 66 PHE H H 7.988 0.030 1 714 66 66 PHE HA H 4.305 0.030 1 715 66 66 PHE HB2 H 3.040 0.030 2 716 66 66 PHE HB3 H 3.172 0.030 2 717 66 66 PHE HD1 H 7.170 0.030 1 718 66 66 PHE HD2 H 7.170 0.030 1 719 66 66 PHE HE1 H 7.370 0.030 1 720 66 66 PHE HE2 H 7.370 0.030 1 721 66 66 PHE HZ H 7.326 0.030 1 722 66 66 PHE C C 178.776 0.300 1 723 66 66 PHE CA C 60.973 0.300 1 724 66 66 PHE CB C 39.742 0.300 1 725 66 66 PHE CD1 C 131.836 0.300 1 726 66 66 PHE CD2 C 131.836 0.300 1 727 66 66 PHE CE1 C 131.731 0.300 1 728 66 66 PHE CE2 C 131.731 0.300 1 729 66 66 PHE CZ C 130.364 0.300 1 730 66 66 PHE N N 119.489 0.300 1 731 67 67 ASP H H 7.831 0.030 1 732 67 67 ASP HA H 4.235 0.030 1 733 67 67 ASP HB2 H 2.497 0.030 2 734 67 67 ASP HB3 H 2.962 0.030 2 735 67 67 ASP C C 176.886 0.300 1 736 67 67 ASP CA C 57.680 0.300 1 737 67 67 ASP CB C 41.031 0.300 1 738 67 67 ASP N N 120.148 0.300 1 739 68 68 TYR H H 7.213 0.030 1 740 68 68 TYR HA H 4.493 0.030 1 741 68 68 TYR HB2 H 2.448 0.030 2 742 68 68 TYR HB3 H 3.352 0.030 2 743 68 68 TYR HD1 H 7.154 0.030 1 744 68 68 TYR HD2 H 7.154 0.030 1 745 68 68 TYR HE1 H 6.754 0.030 1 746 68 68 TYR HE2 H 6.754 0.030 1 747 68 68 TYR C C 174.027 0.300 1 748 68 68 TYR CA C 58.365 0.300 1 749 68 68 TYR CB C 40.131 0.300 1 750 68 68 TYR CD1 C 133.339 0.300 1 751 68 68 TYR CD2 C 133.339 0.300 1 752 68 68 TYR CE1 C 117.608 0.300 1 753 68 68 TYR CE2 C 117.608 0.300 1 754 68 68 TYR N N 115.432 0.300 1 755 69 69 ASP H H 7.881 0.030 1 756 69 69 ASP HA H 4.118 0.030 1 757 69 69 ASP HB2 H 3.181 0.030 2 758 69 69 ASP HB3 H 2.524 0.030 2 759 69 69 ASP C C 174.464 0.300 1 760 69 69 ASP CA C 55.197 0.300 1 761 69 69 ASP CB C 39.824 0.300 1 762 69 69 ASP N N 116.789 0.300 1 763 70 70 VAL H H 7.064 0.030 1 764 70 70 VAL HA H 3.324 0.030 1 765 70 70 VAL HB H 1.530 0.030 1 766 70 70 VAL HG1 H 0.648 0.030 1 767 70 70 VAL HG2 H 0.107 0.030 1 768 70 70 VAL C C 175.820 0.300 1 769 70 70 VAL CA C 63.711 0.300 1 770 70 70 VAL CB C 31.273 0.300 1 771 70 70 VAL CG1 C 21.765 0.300 2 772 70 70 VAL CG2 C 20.763 0.300 2 773 70 70 VAL N N 118.040 0.300 1 774 71 71 GLY H H 8.915 0.030 1 775 71 71 GLY HA2 H 4.412 0.030 2 776 71 71 GLY HA3 H 3.570 0.030 2 777 71 71 GLY C C 172.768 0.300 1 778 71 71 GLY CA C 43.658 0.300 1 779 71 71 GLY N N 117.208 0.300 1 780 72 72 LEU H H 7.778 0.030 1 781 72 72 LEU HA H 3.833 0.030 1 782 72 72 LEU HB2 H 1.326 0.030 2 783 72 72 LEU HB3 H 1.460 0.030 2 784 72 72 LEU HD1 H 0.348 0.030 1 785 72 72 LEU HD2 H 0.667 0.030 1 786 72 72 LEU HG H 1.114 0.030 1 787 72 72 LEU C C 178.243 0.300 1 788 72 72 LEU CA C 56.464 0.300 1 789 72 72 LEU CB C 42.373 0.300 1 790 72 72 LEU CD1 C 23.729 0.300 2 791 72 72 LEU CD2 C 24.956 0.300 2 792 72 72 LEU CG C 26.845 0.300 1 793 72 72 LEU N N 118.159 0.300 1 794 73 73 ASN H H 8.947 0.030 1 795 73 73 ASN HA H 4.236 0.030 1 796 73 73 ASN HB2 H 3.171 0.030 2 797 73 73 ASN HB3 H 2.500 0.030 2 798 73 73 ASN HD21 H 7.492 0.030 2 799 73 73 ASN HD22 H 6.753 0.030 2 800 73 73 ASN C C 174.342 0.300 1 801 73 73 ASN CA C 54.529 0.300 1 802 73 73 ASN CB C 39.659 0.300 1 803 73 73 ASN N N 120.540 0.300 1 804 73 73 ASN ND2 N 111.104 0.300 1 805 74 74 ASP H H 7.926 0.030 1 806 74 74 ASP HA H 4.810 0.030 1 807 74 74 ASP HB2 H 2.986 0.030 2 808 74 74 ASP HB3 H 2.757 0.030 2 809 74 74 ASP C C 174.149 0.300 1 810 74 74 ASP CA C 54.986 0.300 1 811 74 74 ASP CB C 42.608 0.300 1 812 74 74 ASP N N 120.641 0.300 1 813 75 75 ILE H H 8.316 0.030 1 814 75 75 ILE HA H 4.744 0.030 1 815 75 75 ILE HB H 1.758 0.030 1 816 75 75 ILE HD1 H 0.911 0.030 1 817 75 75 ILE HG12 H 1.732 0.030 2 818 75 75 ILE HG13 H 0.933 0.030 2 819 75 75 ILE HG2 H 0.795 0.030 1 820 75 75 ILE C C 175.554 0.300 1 821 75 75 ILE CA C 60.897 0.300 1 822 75 75 ILE CB C 40.482 0.300 1 823 75 75 ILE CD1 C 13.858 0.300 1 824 75 75 ILE CG1 C 28.652 0.300 1 825 75 75 ILE CG2 C 18.289 0.300 1 826 75 75 ILE N N 116.933 0.300 1 827 76 76 ILE H H 9.087 0.030 1 828 76 76 ILE HA H 4.764 0.030 1 829 76 76 ILE HB H 1.853 0.030 1 830 76 76 ILE HD1 H 0.642 0.030 1 831 76 76 ILE HG12 H 1.488 0.030 2 832 76 76 ILE HG13 H 1.151 0.030 2 833 76 76 ILE HG2 H 0.851 0.030 1 834 76 76 ILE C C 175.312 0.300 1 835 76 76 ILE CA C 59.419 0.300 1 836 76 76 ILE CB C 40.399 0.300 1 837 76 76 ILE CD1 C 13.645 0.300 1 838 76 76 ILE CG1 C 28.872 0.300 1 839 76 76 ILE CG2 C 18.743 0.300 1 840 76 76 ILE N N 128.816 0.300 1 841 77 77 GLN H H 9.144 0.030 1 842 77 77 GLN HA H 5.381 0.030 1 843 77 77 GLN HB2 H 1.883 0.030 2 844 77 77 GLN HB3 H 2.133 0.030 2 845 77 77 GLN HE21 H 7.364 0.030 2 846 77 77 GLN HE22 H 6.738 0.030 2 847 77 77 GLN HG2 H 2.287 0.030 2 848 77 77 GLN HG3 H 2.376 0.030 2 849 77 77 GLN C C 175.118 0.300 1 850 77 77 GLN CA C 54.986 0.300 1 851 77 77 GLN CB C 31.766 0.300 1 852 77 77 GLN CG C 34.940 0.300 1 853 77 77 GLN N N 124.535 0.300 1 854 77 77 GLN NE2 N 111.247 0.300 1 855 78 78 LEU H H 8.556 0.030 1 856 78 78 LEU HA H 5.050 0.030 1 857 78 78 LEU HB2 H 1.120 0.030 2 858 78 78 LEU HB3 H 0.705 0.030 2 859 78 78 LEU HD1 H 0.594 0.030 1 860 78 78 LEU HD2 H -0.024 0.030 1 861 78 78 LEU HG H 1.128 0.030 1 862 78 78 LEU C C 173.737 0.300 1 863 78 78 LEU CA C 53.544 0.300 1 864 78 78 LEU CB C 44.593 0.300 1 865 78 78 LEU CD1 C 23.429 0.300 2 866 78 78 LEU CD2 C 25.494 0.300 2 867 78 78 LEU CG C 27.526 0.300 1 868 78 78 LEU N N 122.754 0.300 1 869 79 79 LEU H H 9.523 0.030 1 870 79 79 LEU HA H 4.727 0.030 1 871 79 79 LEU HB2 H 1.532 0.030 2 872 79 79 LEU HB3 H 2.022 0.030 2 873 79 79 LEU HD1 H 0.955 0.030 1 874 79 79 LEU HD2 H 0.879 0.030 1 875 79 79 LEU HG H 1.555 0.030 1 876 79 79 LEU C C 174.246 0.300 1 877 79 79 LEU CA C 54.177 0.300 1 878 79 79 LEU CB C 45.421 0.300 1 879 79 79 LEU CD1 C 24.594 0.300 2 880 79 79 LEU CD2 C 25.785 0.300 2 881 79 79 LEU CG C 27.746 0.300 1 882 79 79 LEU N N 132.366 0.300 1 883 80 80 VAL H H 8.508 0.030 1 884 80 80 VAL HA H 4.380 0.030 1 885 80 80 VAL HB H 2.025 0.030 1 886 80 80 VAL HG1 H 0.932 0.030 1 887 80 80 VAL HG2 H 0.941 0.030 1 888 80 80 VAL C C 176.160 0.300 1 889 80 80 VAL CA C 62.198 0.300 1 890 80 80 VAL CB C 32.753 0.300 1 891 80 80 VAL CG1 C 21.666 0.300 2 892 80 80 VAL CG2 C 21.441 0.300 2 893 80 80 VAL N N 125.215 0.300 1 894 81 81 ARG H H 8.866 0.030 1 895 81 81 ARG HA H 4.685 0.030 1 896 81 81 ARG HB2 H 1.865 0.030 2 897 81 81 ARG HB3 H 1.602 0.030 2 898 81 81 ARG HD2 H 3.170 0.030 1 899 81 81 ARG HD3 H 3.170 0.030 1 900 81 81 ARG HG2 H 1.583 0.030 2 901 81 81 ARG HG3 H 1.627 0.030 2 902 81 81 ARG C C 173.664 0.300 1 903 81 81 ARG CA C 53.097 0.300 1 904 81 81 ARG CB C 31.124 0.300 1 905 81 81 ARG CD C 43.280 0.300 1 906 81 81 ARG CG C 26.845 0.300 1 907 81 81 ARG N N 129.209 0.300 1 908 82 82 PRO HA H 4.513 0.030 1 909 82 82 PRO HB2 H 2.329 0.030 2 910 82 82 PRO HB3 H 1.970 0.030 2 911 82 82 PRO HD2 H 3.703 0.030 2 912 82 82 PRO HD3 H 3.852 0.030 2 913 82 82 PRO HG2 H 2.042 0.030 1 914 82 82 PRO HG3 H 2.042 0.030 1 915 82 82 PRO C C 176.426 0.300 1 916 82 82 PRO CA C 63.187 0.300 1 917 82 82 PRO CB C 32.342 0.300 1 918 82 82 PRO CD C 50.663 0.300 1 919 82 82 PRO CG C 27.212 0.300 1 920 83 83 ASP H H 8.423 0.030 1 921 83 83 ASP HA H 4.590 0.030 1 922 83 83 ASP HB2 H 2.694 0.030 1 923 83 83 ASP HB3 H 2.694 0.030 1 924 83 83 ASP C C 176.208 0.300 1 925 83 83 ASP CA C 54.177 0.300 1 926 83 83 ASP CB C 41.257 0.300 1 927 83 83 ASP N N 120.496 0.300 1 928 84 84 SER H H 8.205 0.030 1 929 84 84 SER HA H 4.486 0.030 1 930 84 84 SER HB2 H 3.883 0.030 1 931 84 84 SER HB3 H 3.883 0.030 1 932 84 84 SER C C 174.682 0.300 1 933 84 84 SER CA C 58.293 0.300 1 934 84 84 SER CB C 64.080 0.300 1 935 84 84 SER N N 115.793 0.300 1 936 85 85 GLY H H 8.345 0.030 1 937 85 85 GLY C C 171.895 0.300 1 938 85 85 GLY CA C 44.748 0.300 1 939 85 85 GLY N N 110.705 0.300 1 stop_ save_