data_11132 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the HMG box like domain from human hypothetical protein FLJ14904 ; _BMRB_accession_number 11132 _BMRB_flat_file_name bmr11132.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _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 Tomizawa T. . . 2 Kigawa T. . . 3 Sato M. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kamatari Y. . . 7 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" 526 "13C chemical shifts" 383 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the HMG box like domain from human hypothetical protein FLJ14904 ; _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 Tomizawa T. . . 2 Kigawa T. . . 3 Sato M. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kamatari Y. . . 7 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 'novel protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HMG box 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 'HMG box like domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; GSSGSSGMPNRKASRNAYYF FVQEKIPELRRRGLPVARVA DAIPYCSSDWALLREEEKEK YAEMAREWRAAQGKDPGPSE KQKPVFTSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 PRO 10 ASN 11 ARG 12 LYS 13 ALA 14 SER 15 ARG 16 ASN 17 ALA 18 TYR 19 TYR 20 PHE 21 PHE 22 VAL 23 GLN 24 GLU 25 LYS 26 ILE 27 PRO 28 GLU 29 LEU 30 ARG 31 ARG 32 ARG 33 GLY 34 LEU 35 PRO 36 VAL 37 ALA 38 ARG 39 VAL 40 ALA 41 ASP 42 ALA 43 ILE 44 PRO 45 TYR 46 CYS 47 SER 48 SER 49 ASP 50 TRP 51 ALA 52 LEU 53 LEU 54 ARG 55 GLU 56 GLU 57 GLU 58 LYS 59 GLU 60 LYS 61 TYR 62 ALA 63 GLU 64 MET 65 ALA 66 ARG 67 GLU 68 TRP 69 ARG 70 ALA 71 ALA 72 GLN 73 GLY 74 LYS 75 ASP 76 PRO 77 GLY 78 PRO 79 SER 80 GLU 81 LYS 82 GLN 83 LYS 84 PRO 85 VAL 86 PHE 87 THR 88 SER 89 GLY 90 PRO 91 SER 92 SER 93 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-01 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 2CTO "Solution Structure Of The Hmg Box Like Domain From Human Hypothetical Protein Flj14904" 100.00 93 100.00 100.00 1.84e-59 DBJ BAB55385 "unnamed protein product [Homo sapiens]" 86.02 434 100.00 100.00 6.41e-48 DBJ BAE01036 "unnamed protein product [Macaca fascicularis]" 86.02 434 97.50 98.75 1.71e-46 DBJ BAJ20777 "maelstrom homolog [synthetic construct]" 86.02 434 100.00 100.00 6.55e-48 GB AAH28595 "Maelstrom homolog (Drosophila) [Homo sapiens]" 86.02 434 100.00 100.00 6.41e-48 GB AAY82463 "maelstrom [Homo sapiens]" 86.02 434 100.00 100.00 6.41e-48 GB ADQ32386 "maelstrom homolog (Drosophila) [synthetic construct]" 86.02 434 100.00 100.00 6.41e-48 GB AIC52639 "MAEL, partial [synthetic construct]" 86.02 434 100.00 100.00 6.41e-48 GB EAW90780 "maelstrom homolog (Drosophila), isoform CRA_a [Homo sapiens]" 86.02 423 100.00 100.00 6.98e-48 REF NP_001247890 "protein maelstrom homolog [Macaca mulatta]" 86.02 434 97.50 98.75 1.71e-46 REF NP_116247 "protein maelstrom homolog isoform 1 [Homo sapiens]" 86.02 434 100.00 100.00 6.41e-48 REF XP_002809887 "PREDICTED: protein maelstrom homolog [Pongo abelii]" 86.02 434 97.50 98.75 2.46e-46 REF XP_003785786 "PREDICTED: protein maelstrom homolog isoform X1 [Otolemur garnettii]" 83.87 434 97.44 98.72 1.94e-44 REF XP_003893548 "PREDICTED: protein maelstrom homolog isoform X1 [Papio anubis]" 86.02 434 97.50 98.75 1.74e-46 SP Q4R786 "RecName: Full=Protein maelstrom homolog" 86.02 434 97.50 98.75 1.71e-46 SP Q96JY0 "RecName: Full=Protein maelstrom homolog" 86.02 434 100.00 100.00 6.41e-48 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_name $entity_1 'cell free synthesis' . Escherichia coli . P050125-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.06mM HMG box like domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.06 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 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9295 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 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'HMG box 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 1 1 GLY HA2 H 3.769 0.030 1 2 1 1 GLY HA3 H 3.769 0.030 1 3 1 1 GLY CA C 41.527 0.300 1 4 7 7 GLY HA2 H 3.873 0.030 1 5 7 7 GLY HA3 H 3.873 0.030 1 6 7 7 GLY C C 171.480 0.300 1 7 7 7 GLY CA C 42.842 0.300 1 8 8 8 MET H H 8.081 0.030 1 9 8 8 MET HA H 4.700 0.030 1 10 8 8 MET HB2 H 1.978 0.030 2 11 8 8 MET HB3 H 1.882 0.030 2 12 8 8 MET HE H 2.026 0.030 1 13 8 8 MET HG2 H 2.467 0.030 2 14 8 8 MET HG3 H 2.551 0.030 2 15 8 8 MET C C 172.083 0.300 1 16 8 8 MET CA C 51.148 0.300 1 17 8 8 MET CB C 29.939 0.300 1 18 8 8 MET CE C 14.807 0.300 1 19 8 8 MET CG C 29.758 0.300 1 20 8 8 MET N N 120.459 0.300 1 21 9 9 PRO HA H 4.339 0.030 1 22 9 9 PRO HB2 H 2.201 0.030 2 23 9 9 PRO HB3 H 1.795 0.030 2 24 9 9 PRO HD2 H 3.599 0.030 2 25 9 9 PRO HD3 H 3.744 0.030 2 26 9 9 PRO HG2 H 1.914 0.030 1 27 9 9 PRO HG3 H 1.914 0.030 1 28 9 9 PRO CA C 60.959 0.300 1 29 9 9 PRO CB C 29.715 0.300 1 30 9 9 PRO CD C 48.337 0.300 1 31 9 9 PRO CG C 25.107 0.300 1 32 10 10 ASN H H 8.435 0.030 1 33 10 10 ASN HA H 4.577 0.030 1 34 10 10 ASN HB2 H 2.757 0.030 2 35 10 10 ASN HB3 H 2.711 0.030 2 36 10 10 ASN HD21 H 7.543 0.030 2 37 10 10 ASN HD22 H 6.849 0.030 2 38 10 10 ASN CA C 50.956 0.300 1 39 10 10 ASN CB C 36.374 0.300 1 40 10 10 ASN N N 118.341 0.300 1 41 10 10 ASN ND2 N 112.501 0.300 1 42 11 11 ARG HA H 4.249 0.030 1 43 11 11 ARG HB2 H 1.690 0.030 2 44 11 11 ARG HB3 H 1.800 0.030 2 45 11 11 ARG HD2 H 3.120 0.030 1 46 11 11 ARG HD3 H 3.120 0.030 1 47 11 11 ARG HG2 H 1.548 0.030 1 48 11 11 ARG HG3 H 1.548 0.030 1 49 11 11 ARG CA C 54.013 0.300 1 50 11 11 ARG CB C 28.393 0.300 1 51 11 11 ARG CD C 41.062 0.300 1 52 11 11 ARG CG C 24.872 0.300 1 53 12 12 LYS HA H 4.194 0.030 1 54 12 12 LYS HB2 H 1.713 0.030 1 55 12 12 LYS HB3 H 1.713 0.030 1 56 12 12 LYS HD2 H 1.591 0.030 1 57 12 12 LYS HD3 H 1.591 0.030 1 58 12 12 LYS HE2 H 2.905 0.030 1 59 12 12 LYS HE3 H 2.905 0.030 1 60 12 12 LYS HG2 H 1.326 0.030 1 61 12 12 LYS HG3 H 1.326 0.030 1 62 12 12 LYS C C 174.013 0.300 1 63 12 12 LYS CA C 54.251 0.300 1 64 12 12 LYS CB C 30.711 0.300 1 65 12 12 LYS CD C 26.838 0.300 1 66 12 12 LYS CE C 39.860 0.300 1 67 12 12 LYS CG C 22.717 0.300 1 68 13 13 ALA H H 8.194 0.030 1 69 13 13 ALA HA H 4.279 0.030 1 70 13 13 ALA HB H 1.322 0.030 1 71 13 13 ALA C C 175.095 0.300 1 72 13 13 ALA CA C 50.020 0.300 1 73 13 13 ALA CB C 17.032 0.300 1 74 13 13 ALA N N 124.534 0.300 1 75 14 14 SER H H 8.193 0.030 1 76 14 14 SER HA H 4.363 0.030 1 77 14 14 SER HB2 H 3.759 0.030 1 78 14 14 SER HB3 H 3.759 0.030 1 79 14 14 SER C C 171.928 0.300 1 80 14 14 SER CA C 55.944 0.300 1 81 14 14 SER CB C 61.770 0.300 1 82 14 14 SER N N 115.426 0.300 1 83 15 15 ARG H H 7.640 0.030 1 84 15 15 ARG HA H 3.755 0.030 1 85 15 15 ARG HB2 H 0.792 0.030 2 86 15 15 ARG HB3 H 0.959 0.030 2 87 15 15 ARG HD2 H 1.290 0.030 2 88 15 15 ARG HD3 H 0.902 0.030 2 89 15 15 ARG HG2 H -0.040 0.030 2 90 15 15 ARG HG3 H 0.403 0.030 2 91 15 15 ARG C C 172.101 0.300 1 92 15 15 ARG CA C 53.244 0.300 1 93 15 15 ARG CB C 28.657 0.300 1 94 15 15 ARG CD C 40.172 0.300 1 95 15 15 ARG CG C 23.781 0.300 1 96 15 15 ARG N N 122.498 0.300 1 97 16 16 ASN H H 7.380 0.030 1 98 16 16 ASN HA H 4.720 0.030 1 99 16 16 ASN HB2 H 3.300 0.030 2 100 16 16 ASN HB3 H 2.924 0.030 2 101 16 16 ASN HD21 H 6.765 0.030 2 102 16 16 ASN HD22 H 7.496 0.030 2 103 16 16 ASN C C 172.228 0.300 1 104 16 16 ASN CA C 48.662 0.300 1 105 16 16 ASN CB C 37.090 0.300 1 106 16 16 ASN N N 119.449 0.300 1 107 16 16 ASN ND2 N 110.448 0.300 1 108 17 17 ALA H H 8.420 0.030 1 109 17 17 ALA HA H 4.108 0.030 1 110 17 17 ALA HB H 1.629 0.030 1 111 17 17 ALA C C 175.928 0.300 1 112 17 17 ALA CA C 54.022 0.300 1 113 17 17 ALA CB C 16.571 0.300 1 114 17 17 ALA N N 120.797 0.300 1 115 18 18 TYR H H 7.723 0.030 1 116 18 18 TYR HA H 2.824 0.030 1 117 18 18 TYR HB2 H 2.073 0.030 2 118 18 18 TYR HB3 H 2.313 0.030 2 119 18 18 TYR HD1 H 5.992 0.030 1 120 18 18 TYR HD2 H 5.992 0.030 1 121 18 18 TYR HE1 H 6.386 0.030 1 122 18 18 TYR HE2 H 6.386 0.030 1 123 18 18 TYR C C 173.480 0.300 1 124 18 18 TYR CA C 57.108 0.300 1 125 18 18 TYR CB C 35.244 0.300 1 126 18 18 TYR CD1 C 130.116 0.300 1 127 18 18 TYR CD2 C 130.116 0.300 1 128 18 18 TYR CE1 C 115.241 0.300 1 129 18 18 TYR CE2 C 115.241 0.300 1 130 18 18 TYR N N 115.609 0.300 1 131 19 19 TYR H H 7.567 0.030 1 132 19 19 TYR HA H 3.212 0.030 1 133 19 19 TYR HB2 H 3.034 0.030 2 134 19 19 TYR HB3 H 2.856 0.030 2 135 19 19 TYR HD1 H 5.921 0.030 1 136 19 19 TYR HD2 H 5.921 0.030 1 137 19 19 TYR HE1 H 6.162 0.030 1 138 19 19 TYR HE2 H 6.162 0.030 1 139 19 19 TYR C C 174.317 0.300 1 140 19 19 TYR CA C 59.546 0.300 1 141 19 19 TYR CB C 35.712 0.300 1 142 19 19 TYR CD1 C 130.654 0.300 1 143 19 19 TYR CD2 C 130.654 0.300 1 144 19 19 TYR CE1 C 114.837 0.300 1 145 19 19 TYR CE2 C 114.837 0.300 1 146 19 19 TYR N N 117.722 0.300 1 147 20 20 PHE H H 7.322 0.030 1 148 20 20 PHE HA H 3.822 0.030 1 149 20 20 PHE HB2 H 3.226 0.030 2 150 20 20 PHE HB3 H 3.670 0.030 2 151 20 20 PHE HD1 H 7.493 0.030 1 152 20 20 PHE HD2 H 7.493 0.030 1 153 20 20 PHE HE1 H 7.002 0.030 1 154 20 20 PHE HE2 H 7.002 0.030 1 155 20 20 PHE HZ H 6.583 0.030 1 156 20 20 PHE C C 175.471 0.300 1 157 20 20 PHE CA C 60.422 0.300 1 158 20 20 PHE CB C 37.403 0.300 1 159 20 20 PHE CD1 C 129.818 0.300 1 160 20 20 PHE CD2 C 129.818 0.300 1 161 20 20 PHE CE1 C 128.707 0.300 1 162 20 20 PHE CE2 C 128.707 0.300 1 163 20 20 PHE CZ C 126.692 0.300 1 164 20 20 PHE N N 114.669 0.300 1 165 21 21 PHE H H 7.571 0.030 1 166 21 21 PHE HA H 3.657 0.030 1 167 21 21 PHE HB2 H 2.081 0.030 2 168 21 21 PHE HB3 H 2.571 0.030 2 169 21 21 PHE HD1 H 6.668 0.030 1 170 21 21 PHE HD2 H 6.668 0.030 1 171 21 21 PHE HE1 H 7.489 0.030 1 172 21 21 PHE HE2 H 7.489 0.030 1 173 21 21 PHE HZ H 7.172 0.030 1 174 21 21 PHE C C 173.621 0.300 1 175 21 21 PHE CA C 58.606 0.300 1 176 21 21 PHE CB C 37.068 0.300 1 177 21 21 PHE CD1 C 130.263 0.300 1 178 21 21 PHE CD2 C 130.263 0.300 1 179 21 21 PHE CE1 C 129.009 0.300 1 180 21 21 PHE CE2 C 129.009 0.300 1 181 21 21 PHE CZ C 126.727 0.300 1 182 21 21 PHE N N 123.075 0.300 1 183 22 22 VAL H H 7.934 0.030 1 184 22 22 VAL HA H 2.965 0.030 1 185 22 22 VAL HB H 1.392 0.030 1 186 22 22 VAL HG1 H 0.459 0.030 1 187 22 22 VAL HG2 H 0.048 0.030 1 188 22 22 VAL C C 175.725 0.300 1 189 22 22 VAL CA C 63.507 0.300 1 190 22 22 VAL CB C 27.830 0.300 1 191 22 22 VAL CG1 C 21.914 0.300 2 192 22 22 VAL CG2 C 20.499 0.300 2 193 22 22 VAL N N 118.518 0.300 1 194 23 23 GLN H H 7.918 0.030 1 195 23 23 GLN HA H 3.385 0.030 1 196 23 23 GLN HB2 H 1.944 0.030 2 197 23 23 GLN HB3 H 1.581 0.030 2 198 23 23 GLN HE21 H 7.575 0.030 2 199 23 23 GLN HE22 H 6.721 0.030 2 200 23 23 GLN HG2 H 2.077 0.030 2 201 23 23 GLN HG3 H 1.893 0.030 2 202 23 23 GLN C C 176.127 0.300 1 203 23 23 GLN CA C 57.028 0.300 1 204 23 23 GLN CB C 27.077 0.300 1 205 23 23 GLN CG C 32.295 0.300 1 206 23 23 GLN N N 116.004 0.300 1 207 23 23 GLN NE2 N 110.618 0.300 1 208 24 24 GLU H H 7.364 0.030 1 209 24 24 GLU HA H 3.948 0.030 1 210 24 24 GLU HB2 H 2.207 0.030 1 211 24 24 GLU HB3 H 2.207 0.030 1 212 24 24 GLU HG2 H 2.397 0.030 2 213 24 24 GLU HG3 H 2.256 0.030 2 214 24 24 GLU C C 175.451 0.300 1 215 24 24 GLU CA C 56.102 0.300 1 216 24 24 GLU CB C 27.862 0.300 1 217 24 24 GLU CG C 34.999 0.300 1 218 24 24 GLU N N 117.428 0.300 1 219 25 25 LYS H H 7.408 0.030 1 220 25 25 LYS HA H 3.959 0.030 1 221 25 25 LYS HB2 H 1.432 0.030 2 222 25 25 LYS HB3 H 1.648 0.030 2 223 25 25 LYS HD2 H 1.212 0.030 1 224 25 25 LYS HD3 H 1.212 0.030 1 225 25 25 LYS HE2 H 2.442 0.030 2 226 25 25 LYS HE3 H 2.606 0.030 2 227 25 25 LYS HG2 H 0.912 0.030 2 228 25 25 LYS HG3 H 0.702 0.030 2 229 25 25 LYS C C 174.983 0.300 1 230 25 25 LYS CA C 53.336 0.300 1 231 25 25 LYS CB C 29.970 0.300 1 232 25 25 LYS CD C 25.456 0.300 1 233 25 25 LYS CE C 39.958 0.300 1 234 25 25 LYS CG C 20.990 0.300 1 235 25 25 LYS N N 117.209 0.300 1 236 26 26 ILE H H 7.218 0.030 1 237 26 26 ILE HA H 3.374 0.030 1 238 26 26 ILE HB H 1.828 0.030 1 239 26 26 ILE HD1 H 0.425 0.030 1 240 26 26 ILE HG12 H 1.719 0.030 2 241 26 26 ILE HG13 H 0.502 0.030 2 242 26 26 ILE HG2 H 0.593 0.030 1 243 26 26 ILE C C 171.743 0.300 1 244 26 26 ILE CA C 65.955 0.300 1 245 26 26 ILE CB C 33.296 0.300 1 246 26 26 ILE CD1 C 10.960 0.300 1 247 26 26 ILE CG1 C 27.980 0.300 1 248 26 26 ILE CG2 C 14.177 0.300 1 249 26 26 ILE N N 119.041 0.300 1 250 27 27 PRO HA H 4.068 0.030 1 251 27 27 PRO HB2 H 1.795 0.030 2 252 27 27 PRO HB3 H 2.236 0.030 2 253 27 27 PRO HD2 H 3.452 0.030 2 254 27 27 PRO HD3 H 3.581 0.030 2 255 27 27 PRO HG2 H 1.837 0.030 2 256 27 27 PRO HG3 H 2.060 0.030 2 257 27 27 PRO C C 177.172 0.300 1 258 27 27 PRO CA C 64.137 0.300 1 259 27 27 PRO CB C 28.587 0.300 1 260 27 27 PRO CD C 47.079 0.300 1 261 27 27 PRO CG C 26.104 0.300 1 262 28 28 GLU H H 7.380 0.030 1 263 28 28 GLU HA H 3.959 0.030 1 264 28 28 GLU HB2 H 2.010 0.030 1 265 28 28 GLU HB3 H 2.010 0.030 1 266 28 28 GLU HG2 H 2.162 0.030 1 267 28 28 GLU HG3 H 2.162 0.030 1 268 28 28 GLU C C 176.308 0.300 1 269 28 28 GLU CA C 56.333 0.300 1 270 28 28 GLU CB C 26.920 0.300 1 271 28 28 GLU CG C 33.556 0.300 1 272 28 28 GLU N N 118.219 0.300 1 273 29 29 LEU H H 7.984 0.030 1 274 29 29 LEU HA H 3.752 0.030 1 275 29 29 LEU HB2 H 1.058 0.030 2 276 29 29 LEU HB3 H 1.784 0.030 2 277 29 29 LEU HD1 H 0.618 0.030 1 278 29 29 LEU HD2 H 0.593 0.030 1 279 29 29 LEU HG H 1.638 0.030 1 280 29 29 LEU C C 177.162 0.300 1 281 29 29 LEU CA C 55.506 0.300 1 282 29 29 LEU CB C 38.410 0.300 1 283 29 29 LEU CD1 C 24.549 0.300 2 284 29 29 LEU CD2 C 19.456 0.300 2 285 29 29 LEU CG C 24.176 0.300 1 286 29 29 LEU N N 119.851 0.300 1 287 30 30 ARG H H 8.352 0.030 1 288 30 30 ARG HA H 4.208 0.030 1 289 30 30 ARG HB2 H 1.800 0.030 2 290 30 30 ARG HB3 H 1.692 0.030 2 291 30 30 ARG HD2 H 3.175 0.030 2 292 30 30 ARG HD3 H 3.004 0.030 2 293 30 30 ARG HG2 H 1.683 0.030 2 294 30 30 ARG HG3 H 1.599 0.030 2 295 30 30 ARG C C 179.199 0.300 1 296 30 30 ARG CA C 57.038 0.300 1 297 30 30 ARG CB C 27.622 0.300 1 298 30 30 ARG CD C 41.354 0.300 1 299 30 30 ARG CG C 26.096 0.300 1 300 30 30 ARG N N 117.862 0.300 1 301 31 31 ARG H H 7.861 0.030 1 302 31 31 ARG HA H 4.002 0.030 1 303 31 31 ARG HB2 H 2.020 0.030 2 304 31 31 ARG HB3 H 1.889 0.030 2 305 31 31 ARG HD2 H 3.154 0.030 1 306 31 31 ARG HD3 H 3.154 0.030 1 307 31 31 ARG HG2 H 1.559 0.030 2 308 31 31 ARG HG3 H 1.746 0.030 2 309 31 31 ARG C C 175.831 0.300 1 310 31 31 ARG CA C 57.037 0.300 1 311 31 31 ARG CB C 27.964 0.300 1 312 31 31 ARG CD C 41.254 0.300 1 313 31 31 ARG CG C 25.684 0.300 1 314 31 31 ARG N N 121.690 0.300 1 315 32 32 ARG H H 7.436 0.030 1 316 32 32 ARG HA H 4.210 0.030 1 317 32 32 ARG HB2 H 1.967 0.030 2 318 32 32 ARG HB3 H 1.848 0.030 2 319 32 32 ARG HD2 H 3.047 0.030 2 320 32 32 ARG HD3 H 3.019 0.030 2 321 32 32 ARG HG2 H 1.690 0.030 2 322 32 32 ARG HG3 H 1.798 0.030 2 323 32 32 ARG C C 173.922 0.300 1 324 32 32 ARG CA C 54.304 0.300 1 325 32 32 ARG CB C 28.431 0.300 1 326 32 32 ARG CD C 42.100 0.300 1 327 32 32 ARG CG C 24.846 0.300 1 328 32 32 ARG N N 116.556 0.300 1 329 33 33 GLY H H 7.746 0.030 1 330 33 33 GLY HA2 H 3.585 0.030 2 331 33 33 GLY HA3 H 4.147 0.030 2 332 33 33 GLY C C 172.055 0.300 1 333 33 33 GLY CA C 42.665 0.300 1 334 33 33 GLY N N 106.158 0.300 1 335 34 34 LEU H H 7.474 0.030 1 336 34 34 LEU HA H 4.442 0.030 1 337 34 34 LEU HB2 H 0.730 0.030 2 338 34 34 LEU HB3 H 1.206 0.030 2 339 34 34 LEU HD1 H 0.301 0.030 1 340 34 34 LEU HD2 H 0.496 0.030 1 341 34 34 LEU HG H 1.247 0.030 1 342 34 34 LEU C C 173.686 0.300 1 343 34 34 LEU CA C 50.055 0.300 1 344 34 34 LEU CB C 39.118 0.300 1 345 34 34 LEU CD1 C 22.692 0.300 2 346 34 34 LEU CD2 C 20.531 0.300 2 347 34 34 LEU CG C 24.740 0.300 1 348 34 34 LEU N N 121.887 0.300 1 349 35 35 PRO HA H 4.528 0.030 1 350 35 35 PRO HB2 H 1.791 0.030 2 351 35 35 PRO HB3 H 2.148 0.030 2 352 35 35 PRO HD2 H 3.424 0.030 2 353 35 35 PRO HD3 H 3.705 0.030 2 354 35 35 PRO HG2 H 2.015 0.030 2 355 35 35 PRO HG3 H 1.960 0.030 2 356 35 35 PRO C C 173.302 0.300 1 357 35 35 PRO CA C 60.098 0.300 1 358 35 35 PRO CB C 26.266 0.300 1 359 35 35 PRO CD C 47.658 0.300 1 360 35 35 PRO CG C 25.128 0.300 1 361 36 36 VAL H H 7.760 0.030 1 362 36 36 VAL HA H 4.158 0.030 1 363 36 36 VAL HB H 1.662 0.030 1 364 36 36 VAL HG1 H 0.608 0.030 1 365 36 36 VAL HG2 H 0.606 0.030 1 366 36 36 VAL C C 172.094 0.300 1 367 36 36 VAL CA C 57.816 0.300 1 368 36 36 VAL CB C 31.709 0.300 1 369 36 36 VAL CG1 C 20.633 0.300 2 370 36 36 VAL CG2 C 18.076 0.300 2 371 36 36 VAL N N 118.382 0.300 1 372 37 37 ALA H H 9.140 0.030 1 373 37 37 ALA HA H 4.331 0.030 1 374 37 37 ALA HB H 1.302 0.030 1 375 37 37 ALA C C 174.331 0.300 1 376 37 37 ALA CA C 50.652 0.300 1 377 37 37 ALA CB C 18.663 0.300 1 378 37 37 ALA N N 126.379 0.300 1 379 38 38 ARG H H 7.949 0.030 1 380 38 38 ARG HA H 4.579 0.030 1 381 38 38 ARG HB2 H 1.976 0.030 2 382 38 38 ARG HB3 H 1.673 0.030 2 383 38 38 ARG HD2 H 3.156 0.030 1 384 38 38 ARG HD3 H 3.156 0.030 1 385 38 38 ARG HG2 H 1.375 0.030 2 386 38 38 ARG HG3 H 1.604 0.030 2 387 38 38 ARG C C 174.180 0.300 1 388 38 38 ARG CA C 51.341 0.300 1 389 38 38 ARG CB C 30.340 0.300 1 390 38 38 ARG CD C 41.085 0.300 1 391 38 38 ARG CG C 24.164 0.300 1 392 38 38 ARG N N 115.445 0.300 1 393 39 39 VAL H H 8.463 0.030 1 394 39 39 VAL HA H 3.056 0.030 1 395 39 39 VAL HB H 1.590 0.030 1 396 39 39 VAL HG1 H 0.147 0.030 1 397 39 39 VAL HG2 H 0.342 0.030 1 398 39 39 VAL C C 175.517 0.300 1 399 39 39 VAL CA C 65.156 0.300 1 400 39 39 VAL CB C 28.659 0.300 1 401 39 39 VAL CG1 C 17.963 0.300 2 402 39 39 VAL CG2 C 20.210 0.300 2 403 39 39 VAL N N 122.750 0.300 1 404 40 40 ALA H H 8.441 0.030 1 405 40 40 ALA HA H 3.856 0.030 1 406 40 40 ALA HB H 1.273 0.030 1 407 40 40 ALA C C 176.983 0.300 1 408 40 40 ALA CA C 52.788 0.300 1 409 40 40 ALA CB C 16.271 0.300 1 410 40 40 ALA N N 117.451 0.300 1 411 41 41 ASP H H 7.050 0.030 1 412 41 41 ASP HA H 4.378 0.030 1 413 41 41 ASP HB2 H 2.778 0.030 2 414 41 41 ASP HB3 H 2.936 0.030 2 415 41 41 ASP C C 174.125 0.300 1 416 41 41 ASP CA C 53.246 0.300 1 417 41 41 ASP CB C 39.722 0.300 1 418 41 41 ASP N N 112.484 0.300 1 419 42 42 ALA H H 7.483 0.030 1 420 42 42 ALA HA H 4.341 0.030 1 421 42 42 ALA HB H 1.057 0.030 1 422 42 42 ALA C C 175.349 0.300 1 423 42 42 ALA CA C 50.138 0.300 1 424 42 42 ALA CB C 18.513 0.300 1 425 42 42 ALA N N 118.267 0.300 1 426 43 43 ILE H H 7.317 0.030 1 427 43 43 ILE HA H 3.626 0.030 1 428 43 43 ILE HB H 1.935 0.030 1 429 43 43 ILE HD1 H 0.755 0.030 1 430 43 43 ILE HG12 H 1.086 0.030 2 431 43 43 ILE HG13 H 1.659 0.030 2 432 43 43 ILE HG2 H 0.929 0.030 1 433 43 43 ILE C C 172.982 0.300 1 434 43 43 ILE CA C 64.619 0.300 1 435 43 43 ILE CB C 34.566 0.300 1 436 43 43 ILE CD1 C 10.545 0.300 1 437 43 43 ILE CG1 C 27.542 0.300 1 438 43 43 ILE CG2 C 14.462 0.300 1 439 43 43 ILE N N 119.932 0.300 1 440 44 44 PRO HA H 4.356 0.030 1 441 44 44 PRO HB2 H 1.082 0.030 2 442 44 44 PRO HB3 H 2.094 0.030 2 443 44 44 PRO HD2 H 3.369 0.030 2 444 44 44 PRO HD3 H 3.458 0.030 2 445 44 44 PRO HG2 H 1.764 0.030 2 446 44 44 PRO HG3 H 1.624 0.030 2 447 44 44 PRO C C 175.621 0.300 1 448 44 44 PRO CA C 62.897 0.300 1 449 44 44 PRO CB C 28.854 0.300 1 450 44 44 PRO CD C 48.020 0.300 1 451 44 44 PRO CG C 25.448 0.300 1 452 45 45 TYR H H 7.321 0.030 1 453 45 45 TYR HA H 4.525 0.030 1 454 45 45 TYR HB2 H 2.791 0.030 2 455 45 45 TYR HB3 H 3.229 0.030 2 456 45 45 TYR HD1 H 7.091 0.030 1 457 45 45 TYR HD2 H 7.091 0.030 1 458 45 45 TYR HE1 H 6.756 0.030 1 459 45 45 TYR HE2 H 6.756 0.030 1 460 45 45 TYR C C 175.194 0.300 1 461 45 45 TYR CA C 56.877 0.300 1 462 45 45 TYR CB C 37.566 0.300 1 463 45 45 TYR CD1 C 130.437 0.300 1 464 45 45 TYR CD2 C 130.437 0.300 1 465 45 45 TYR CE1 C 116.221 0.300 1 466 45 45 TYR CE2 C 116.221 0.300 1 467 45 45 TYR N N 112.510 0.300 1 468 46 46 CYS H H 7.169 0.030 1 469 46 46 CYS HA H 4.961 0.030 1 470 46 46 CYS HB2 H 2.951 0.030 2 471 46 46 CYS HB3 H 3.170 0.030 2 472 46 46 CYS C C 173.053 0.300 1 473 46 46 CYS CA C 57.766 0.300 1 474 46 46 CYS CB C 27.538 0.300 1 475 46 46 CYS N N 113.716 0.300 1 476 47 47 SER H H 7.608 0.030 1 477 47 47 SER HA H 4.114 0.030 1 478 47 47 SER HB2 H 3.850 0.030 1 479 47 47 SER HB3 H 3.850 0.030 1 480 47 47 SER C C 173.055 0.300 1 481 47 47 SER CA C 59.926 0.300 1 482 47 47 SER CB C 60.280 0.300 1 483 47 47 SER N N 116.665 0.300 1 484 48 48 SER H H 7.455 0.030 1 485 48 48 SER HA H 4.256 0.030 1 486 48 48 SER HB2 H 3.906 0.030 2 487 48 48 SER HB3 H 3.860 0.030 2 488 48 48 SER C C 174.109 0.300 1 489 48 48 SER CA C 59.329 0.300 1 490 48 48 SER CB C 59.744 0.300 1 491 49 49 ASP H H 8.139 0.030 1 492 49 49 ASP HA H 4.408 0.030 1 493 49 49 ASP HB2 H 2.863 0.030 2 494 49 49 ASP HB3 H 2.833 0.030 2 495 49 49 ASP C C 176.701 0.300 1 496 49 49 ASP CA C 54.868 0.300 1 497 49 49 ASP CB C 38.187 0.300 1 498 49 49 ASP N N 120.923 0.300 1 499 50 50 TRP H H 8.009 0.030 1 500 50 50 TRP HA H 3.782 0.030 1 501 50 50 TRP HB2 H 3.132 0.030 2 502 50 50 TRP HB3 H 3.198 0.030 2 503 50 50 TRP HD1 H 6.877 0.030 1 504 50 50 TRP HE1 H 9.850 0.030 1 505 50 50 TRP HE3 H 5.800 0.030 1 506 50 50 TRP HH2 H 7.026 0.030 1 507 50 50 TRP HZ2 H 7.402 0.030 1 508 50 50 TRP HZ3 H 6.399 0.030 1 509 50 50 TRP C C 174.820 0.300 1 510 50 50 TRP CA C 56.913 0.300 1 511 50 50 TRP CB C 28.502 0.300 1 512 50 50 TRP CD1 C 125.289 0.300 1 513 50 50 TRP CE3 C 119.189 0.300 1 514 50 50 TRP CH2 C 121.358 0.300 1 515 50 50 TRP CZ2 C 111.251 0.300 1 516 50 50 TRP CZ3 C 119.456 0.300 1 517 50 50 TRP N N 120.095 0.300 1 518 50 50 TRP NE1 N 127.565 0.300 1 519 51 51 ALA H H 7.409 0.030 1 520 51 51 ALA HA H 3.847 0.030 1 521 51 51 ALA HB H 1.434 0.030 1 522 51 51 ALA C C 176.677 0.300 1 523 51 51 ALA CA C 51.795 0.300 1 524 51 51 ALA CB C 15.850 0.300 1 525 51 51 ALA N N 117.610 0.300 1 526 52 52 LEU H H 7.044 0.030 1 527 52 52 LEU HA H 4.103 0.030 1 528 52 52 LEU HB2 H 1.562 0.030 2 529 52 52 LEU HB3 H 1.697 0.030 2 530 52 52 LEU HD1 H 0.850 0.030 1 531 52 52 LEU HD2 H 0.781 0.030 1 532 52 52 LEU HG H 1.759 0.030 1 533 52 52 LEU C C 175.405 0.300 1 534 52 52 LEU CA C 52.576 0.300 1 535 52 52 LEU CB C 40.660 0.300 1 536 52 52 LEU CD1 C 22.960 0.300 2 537 52 52 LEU CD2 C 20.402 0.300 2 538 52 52 LEU CG C 24.332 0.300 1 539 52 52 LEU N N 115.008 0.300 1 540 53 53 LEU H H 6.970 0.030 1 541 53 53 LEU HA H 4.029 0.030 1 542 53 53 LEU HB2 H 1.195 0.030 2 543 53 53 LEU HB3 H 1.126 0.030 2 544 53 53 LEU HD1 H 0.571 0.030 1 545 53 53 LEU HD2 H 0.738 0.030 1 546 53 53 LEU HG H 1.690 0.030 1 547 53 53 LEU C C 175.546 0.300 1 548 53 53 LEU CA C 52.985 0.300 1 549 53 53 LEU CB C 40.248 0.300 1 550 53 53 LEU CD1 C 23.708 0.300 2 551 53 53 LEU CD2 C 21.552 0.300 2 552 53 53 LEU CG C 24.439 0.300 1 553 53 53 LEU N N 121.104 0.300 1 554 54 54 ARG H H 8.913 0.030 1 555 54 54 ARG HA H 4.187 0.030 1 556 54 54 ARG HB2 H 1.662 0.030 2 557 54 54 ARG HB3 H 2.097 0.030 2 558 54 54 ARG HD2 H 3.221 0.030 1 559 54 54 ARG HD3 H 3.221 0.030 1 560 54 54 ARG HG2 H 1.710 0.030 2 561 54 54 ARG HG3 H 1.783 0.030 2 562 54 54 ARG C C 176.133 0.300 1 563 54 54 ARG CA C 53.616 0.300 1 564 54 54 ARG CB C 28.816 0.300 1 565 54 54 ARG CD C 40.960 0.300 1 566 54 54 ARG CG C 25.743 0.300 1 567 54 54 ARG N N 122.291 0.300 1 568 55 55 GLU H H 9.036 0.030 1 569 55 55 GLU HA H 3.642 0.030 1 570 55 55 GLU HB2 H 1.944 0.030 1 571 55 55 GLU HB3 H 1.944 0.030 1 572 55 55 GLU HG2 H 2.269 0.030 1 573 55 55 GLU HG3 H 2.269 0.030 1 574 55 55 GLU C C 176.923 0.300 1 575 55 55 GLU CA C 58.171 0.300 1 576 55 55 GLU CB C 26.729 0.300 1 577 55 55 GLU CG C 33.734 0.300 1 578 55 55 GLU N N 123.495 0.300 1 579 56 56 GLU H H 9.602 0.030 1 580 56 56 GLU HA H 4.083 0.030 1 581 56 56 GLU HB2 H 1.940 0.030 1 582 56 56 GLU HB3 H 1.940 0.030 1 583 56 56 GLU HG2 H 2.265 0.030 1 584 56 56 GLU HG3 H 2.265 0.030 1 585 56 56 GLU C C 176.570 0.300 1 586 56 56 GLU CA C 57.195 0.300 1 587 56 56 GLU CB C 26.376 0.300 1 588 56 56 GLU CG C 33.742 0.300 1 589 56 56 GLU N N 116.697 0.300 1 590 57 57 GLU H H 7.160 0.030 1 591 57 57 GLU HA H 4.186 0.030 1 592 57 57 GLU HB2 H 2.159 0.030 2 593 57 57 GLU HB3 H 2.262 0.030 2 594 57 57 GLU HG2 H 2.239 0.030 1 595 57 57 GLU HG3 H 2.239 0.030 1 596 57 57 GLU C C 176.129 0.300 1 597 57 57 GLU CA C 55.943 0.300 1 598 57 57 GLU CB C 28.384 0.300 1 599 57 57 GLU CG C 35.368 0.300 1 600 57 57 GLU N N 118.324 0.300 1 601 58 58 LYS H H 7.748 0.030 1 602 58 58 LYS HA H 3.992 0.030 1 603 58 58 LYS HB2 H 1.693 0.030 1 604 58 58 LYS HB3 H 1.693 0.030 1 605 58 58 LYS HD2 H 0.900 0.030 2 606 58 58 LYS HD3 H 1.016 0.030 2 607 58 58 LYS HE2 H 1.773 0.030 2 608 58 58 LYS HE3 H 1.626 0.030 2 609 58 58 LYS HG2 H 0.884 0.030 2 610 58 58 LYS HG3 H -0.313 0.030 2 611 58 58 LYS C C 177.151 0.300 1 612 58 58 LYS CA C 57.879 0.300 1 613 58 58 LYS CB C 30.599 0.300 1 614 58 58 LYS CD C 27.360 0.300 1 615 58 58 LYS CE C 39.658 0.300 1 616 58 58 LYS CG C 24.215 0.300 1 617 58 58 LYS N N 118.255 0.300 1 618 59 59 GLU H H 7.693 0.030 1 619 59 59 GLU HA H 4.131 0.030 1 620 59 59 GLU HB2 H 2.049 0.030 2 621 59 59 GLU HB3 H 1.932 0.030 2 622 59 59 GLU HG2 H 2.312 0.030 1 623 59 59 GLU HG3 H 2.312 0.030 1 624 59 59 GLU C C 175.767 0.300 1 625 59 59 GLU CA C 56.345 0.300 1 626 59 59 GLU CB C 26.837 0.300 1 627 59 59 GLU CG C 33.271 0.300 1 628 59 59 GLU N N 118.264 0.300 1 629 60 60 LYS H H 7.491 0.030 1 630 60 60 LYS HA H 3.975 0.030 1 631 60 60 LYS HB2 H 1.495 0.030 2 632 60 60 LYS HB3 H 1.718 0.030 2 633 60 60 LYS HD2 H 1.507 0.030 2 634 60 60 LYS HD3 H 1.440 0.030 2 635 60 60 LYS HE2 H 2.722 0.030 1 636 60 60 LYS HE3 H 2.722 0.030 1 637 60 60 LYS HG2 H 0.905 0.030 2 638 60 60 LYS HG3 H 1.108 0.030 2 639 60 60 LYS C C 176.862 0.300 1 640 60 60 LYS CA C 56.861 0.300 1 641 60 60 LYS CB C 29.300 0.300 1 642 60 60 LYS CD C 26.813 0.300 1 643 60 60 LYS CE C 39.700 0.300 1 644 60 60 LYS CG C 21.850 0.300 1 645 60 60 LYS N N 118.776 0.300 1 646 61 61 TYR H H 7.222 0.030 1 647 61 61 TYR HA H 4.352 0.030 1 648 61 61 TYR HB2 H 3.192 0.030 2 649 61 61 TYR HB3 H 4.027 0.030 2 650 61 61 TYR HD1 H 7.378 0.030 1 651 61 61 TYR HD2 H 7.378 0.030 1 652 61 61 TYR HE1 H 6.934 0.030 1 653 61 61 TYR HE2 H 6.934 0.030 1 654 61 61 TYR C C 175.755 0.300 1 655 61 61 TYR CA C 59.098 0.300 1 656 61 61 TYR CB C 35.660 0.300 1 657 61 61 TYR CD1 C 131.277 0.300 1 658 61 61 TYR CD2 C 131.277 0.300 1 659 61 61 TYR CE1 C 116.378 0.300 1 660 61 61 TYR CE2 C 116.378 0.300 1 661 61 61 TYR N N 119.178 0.300 1 662 62 62 ALA H H 8.169 0.030 1 663 62 62 ALA HA H 4.139 0.030 1 664 62 62 ALA HB H 1.619 0.030 1 665 62 62 ALA C C 178.639 0.300 1 666 62 62 ALA CA C 53.282 0.300 1 667 62 62 ALA CB C 15.454 0.300 1 668 62 62 ALA N N 123.862 0.300 1 669 63 63 GLU H H 8.408 0.030 1 670 63 63 GLU HA H 4.058 0.030 1 671 63 63 GLU HB2 H 2.005 0.030 2 672 63 63 GLU HB3 H 2.097 0.030 2 673 63 63 GLU HG2 H 2.248 0.030 1 674 63 63 GLU HG3 H 2.248 0.030 1 675 63 63 GLU C C 176.202 0.300 1 676 63 63 GLU CA C 56.831 0.300 1 677 63 63 GLU CB C 26.704 0.300 1 678 63 63 GLU CG C 33.337 0.300 1 679 63 63 GLU N N 120.207 0.300 1 680 64 64 MET H H 7.349 0.030 1 681 64 64 MET HA H 3.820 0.030 1 682 64 64 MET HB2 H 2.356 0.030 2 683 64 64 MET HB3 H 2.655 0.030 2 684 64 64 MET HE H 1.999 0.030 1 685 64 64 MET HG2 H 1.879 0.030 2 686 64 64 MET HG3 H 1.239 0.030 2 687 64 64 MET C C 176.563 0.300 1 688 64 64 MET CA C 57.072 0.300 1 689 64 64 MET CB C 30.075 0.300 1 690 64 64 MET CE C 15.519 0.300 1 691 64 64 MET CG C 30.096 0.300 1 692 64 64 MET N N 118.631 0.300 1 693 65 65 ALA H H 7.633 0.030 1 694 65 65 ALA HA H 3.956 0.030 1 695 65 65 ALA HB H 1.510 0.030 1 696 65 65 ALA C C 177.339 0.300 1 697 65 65 ALA CA C 52.813 0.300 1 698 65 65 ALA CB C 15.177 0.300 1 699 65 65 ALA N N 121.235 0.300 1 700 66 66 ARG H H 8.126 0.030 1 701 66 66 ARG HA H 3.974 0.030 1 702 66 66 ARG HB2 H 1.989 0.030 2 703 66 66 ARG HB3 H 1.888 0.030 2 704 66 66 ARG HD2 H 3.203 0.030 1 705 66 66 ARG HD3 H 3.203 0.030 1 706 66 66 ARG HG2 H 1.795 0.030 2 707 66 66 ARG HG3 H 1.536 0.030 2 708 66 66 ARG C C 177.329 0.300 1 709 66 66 ARG CA C 57.901 0.300 1 710 66 66 ARG CB C 28.074 0.300 1 711 66 66 ARG CD C 41.254 0.300 1 712 66 66 ARG CG C 25.882 0.300 1 713 66 66 ARG N N 120.506 0.300 1 714 67 67 GLU H H 8.327 0.030 1 715 67 67 GLU HA H 3.957 0.030 1 716 67 67 GLU HB2 H 1.992 0.030 1 717 67 67 GLU HB3 H 1.992 0.030 1 718 67 67 GLU HG2 H 2.335 0.030 2 719 67 67 GLU HG3 H 2.160 0.030 2 720 67 67 GLU C C 176.628 0.300 1 721 67 67 GLU CA C 56.825 0.300 1 722 67 67 GLU CB C 27.046 0.300 1 723 67 67 GLU CG C 34.077 0.300 1 724 67 67 GLU N N 120.183 0.300 1 725 68 68 TRP H H 8.062 0.030 1 726 68 68 TRP HA H 4.175 0.030 1 727 68 68 TRP HB2 H 3.331 0.030 2 728 68 68 TRP HB3 H 3.454 0.030 2 729 68 68 TRP HD1 H 7.395 0.030 1 730 68 68 TRP HE1 H 10.169 0.030 1 731 68 68 TRP HE3 H 7.618 0.030 1 732 68 68 TRP HH2 H 7.075 0.030 1 733 68 68 TRP HZ2 H 7.289 0.030 1 734 68 68 TRP HZ3 H 7.084 0.030 1 735 68 68 TRP C C 176.202 0.300 1 736 68 68 TRP CA C 59.262 0.300 1 737 68 68 TRP CB C 26.920 0.300 1 738 68 68 TRP CD1 C 124.992 0.300 1 739 68 68 TRP CE3 C 118.182 0.300 1 740 68 68 TRP CH2 C 122.281 0.300 1 741 68 68 TRP CZ2 C 112.242 0.300 1 742 68 68 TRP CZ3 C 119.606 0.300 1 743 68 68 TRP N N 121.061 0.300 1 744 68 68 TRP NE1 N 130.041 0.300 1 745 69 69 ARG H H 8.219 0.030 1 746 69 69 ARG HA H 3.637 0.030 1 747 69 69 ARG HB2 H 1.881 0.030 2 748 69 69 ARG HB3 H 2.021 0.030 2 749 69 69 ARG HD2 H 3.289 0.030 2 750 69 69 ARG HD3 H 3.210 0.030 2 751 69 69 ARG HG2 H 1.686 0.030 2 752 69 69 ARG HG3 H 1.911 0.030 2 753 69 69 ARG C C 176.602 0.300 1 754 69 69 ARG CA C 56.871 0.300 1 755 69 69 ARG CB C 27.909 0.300 1 756 69 69 ARG CD C 41.254 0.300 1 757 69 69 ARG CG C 25.519 0.300 1 758 69 69 ARG N N 118.683 0.300 1 759 70 70 ALA H H 7.872 0.030 1 760 70 70 ALA HA H 4.035 0.030 1 761 70 70 ALA HB H 1.383 0.030 1 762 70 70 ALA C C 176.648 0.300 1 763 70 70 ALA CA C 51.800 0.300 1 764 70 70 ALA CB C 15.846 0.300 1 765 70 70 ALA N N 121.009 0.300 1 766 71 71 ALA H H 7.523 0.030 1 767 71 71 ALA HA H 4.106 0.030 1 768 71 71 ALA HB H 1.271 0.030 1 769 71 71 ALA C C 176.223 0.300 1 770 71 71 ALA CA C 50.779 0.300 1 771 71 71 ALA CB C 16.123 0.300 1 772 71 71 ALA N N 119.591 0.300 1 773 72 72 GLN H H 7.430 0.030 1 774 72 72 GLN HA H 3.874 0.030 1 775 72 72 GLN HB2 H 1.616 0.030 2 776 72 72 GLN HB3 H 1.865 0.030 2 777 72 72 GLN HE21 H 6.592 0.030 2 778 72 72 GLN HE22 H 6.366 0.030 2 779 72 72 GLN HG2 H 1.813 0.030 2 780 72 72 GLN HG3 H 1.547 0.030 2 781 72 72 GLN C C 174.514 0.300 1 782 72 72 GLN CA C 53.449 0.300 1 783 72 72 GLN CB C 26.137 0.300 1 784 72 72 GLN CG C 30.422 0.300 1 785 72 72 GLN N N 116.078 0.300 1 786 72 72 GLN NE2 N 113.264 0.300 1 787 73 73 GLY H H 7.840 0.030 1 788 73 73 GLY HA2 H 3.766 0.030 2 789 73 73 GLY HA3 H 3.809 0.030 2 790 73 73 GLY C C 171.532 0.300 1 791 73 73 GLY CA C 43.020 0.300 1 792 73 73 GLY N N 107.344 0.300 1 793 74 74 LYS H H 7.765 0.030 1 794 74 74 LYS HA H 4.222 0.030 1 795 74 74 LYS HB2 H 1.617 0.030 2 796 74 74 LYS HB3 H 1.714 0.030 2 797 74 74 LYS HD2 H 1.557 0.030 1 798 74 74 LYS HD3 H 1.557 0.030 1 799 74 74 LYS HE2 H 2.882 0.030 1 800 74 74 LYS HE3 H 2.882 0.030 1 801 74 74 LYS HG2 H 1.270 0.030 2 802 74 74 LYS HG3 H 1.326 0.030 2 803 74 74 LYS C C 173.724 0.300 1 804 74 74 LYS CA C 53.475 0.300 1 805 74 74 LYS CB C 30.917 0.300 1 806 74 74 LYS CD C 26.799 0.300 1 807 74 74 LYS CE C 39.644 0.300 1 808 74 74 LYS CG C 22.222 0.300 1 809 74 74 LYS N N 119.667 0.300 1 810 75 75 ASP H H 8.280 0.030 1 811 75 75 ASP HA H 4.754 0.030 1 812 75 75 ASP HB2 H 2.445 0.030 2 813 75 75 ASP HB3 H 2.641 0.030 2 814 75 75 ASP C C 172.253 0.300 1 815 75 75 ASP CA C 50.160 0.300 1 816 75 75 ASP CB C 38.778 0.300 1 817 75 75 ASP N N 122.738 0.300 1 818 76 76 PRO HA H 4.358 0.030 1 819 76 76 PRO HB2 H 2.159 0.030 2 820 76 76 PRO HB3 H 1.894 0.030 2 821 76 76 PRO HD2 H 3.704 0.030 2 822 76 76 PRO HD3 H 3.753 0.030 2 823 76 76 PRO HG2 H 1.933 0.030 1 824 76 76 PRO HG3 H 1.933 0.030 1 825 76 76 PRO C C 174.914 0.300 1 826 76 76 PRO CA C 61.128 0.300 1 827 76 76 PRO CB C 29.906 0.300 1 828 76 76 PRO CD C 48.349 0.300 1 829 76 76 PRO CG C 24.777 0.300 1 830 77 77 GLY H H 8.264 0.030 1 831 77 77 GLY HA2 H 3.991 0.030 1 832 77 77 GLY HA3 H 3.991 0.030 1 833 77 77 GLY C C 169.655 0.300 1 834 77 77 GLY CA C 42.226 0.300 1 835 77 77 GLY N N 108.737 0.300 1 836 78 78 PRO HA H 4.357 0.030 1 837 78 78 PRO HB2 H 2.212 0.030 2 838 78 78 PRO HB3 H 1.884 0.030 2 839 78 78 PRO HD2 H 3.548 0.030 1 840 78 78 PRO HD3 H 3.548 0.030 1 841 78 78 PRO HG2 H 1.934 0.030 1 842 78 78 PRO HG3 H 1.934 0.030 1 843 78 78 PRO CA C 61.139 0.300 1 844 78 78 PRO CB C 29.979 0.300 1 845 78 78 PRO CD C 47.457 0.300 1 846 78 78 PRO CG C 24.892 0.300 1 847 79 79 SER H H 8.373 0.030 1 848 79 79 SER HA H 4.333 0.030 1 849 79 79 SER HB2 H 3.790 0.030 1 850 79 79 SER HB3 H 3.790 0.030 1 851 79 79 SER C C 172.504 0.300 1 852 79 79 SER CA C 56.391 0.300 1 853 79 79 SER CB C 61.206 0.300 1 854 79 79 SER N N 115.672 0.300 1 855 80 80 GLU H H 8.309 0.030 1 856 80 80 GLU HA H 4.213 0.030 1 857 80 80 GLU HB2 H 1.863 0.030 2 858 80 80 GLU HB3 H 1.975 0.030 2 859 80 80 GLU HG2 H 2.184 0.030 1 860 80 80 GLU HG3 H 2.184 0.030 1 861 80 80 GLU C C 174.146 0.300 1 862 80 80 GLU CA C 54.374 0.300 1 863 80 80 GLU CB C 27.909 0.300 1 864 80 80 GLU CG C 33.875 0.300 1 865 80 80 GLU N N 122.342 0.300 1 866 81 81 LYS H H 8.167 0.030 1 867 81 81 LYS HA H 4.208 0.030 1 868 81 81 LYS HB2 H 1.665 0.030 2 869 81 81 LYS HB3 H 1.750 0.030 2 870 81 81 LYS HD2 H 1.606 0.030 1 871 81 81 LYS HD3 H 1.606 0.030 1 872 81 81 LYS HE2 H 2.918 0.030 1 873 81 81 LYS HE3 H 2.918 0.030 1 874 81 81 LYS HG2 H 1.334 0.030 2 875 81 81 LYS HG3 H 1.393 0.030 2 876 81 81 LYS C C 174.161 0.300 1 877 81 81 LYS CA C 54.172 0.300 1 878 81 81 LYS CB C 30.628 0.300 1 879 81 81 LYS CD C 26.673 0.300 1 880 81 81 LYS CE C 39.841 0.300 1 881 81 81 LYS CG C 22.469 0.300 1 882 81 81 LYS N N 121.453 0.300 1 883 82 82 GLN H H 8.217 0.030 1 884 82 82 GLN HA H 4.214 0.030 1 885 82 82 GLN HB2 H 1.887 0.030 1 886 82 82 GLN HB3 H 1.887 0.030 1 887 82 82 GLN HE21 H 6.781 0.030 2 888 82 82 GLN HE22 H 7.456 0.030 2 889 82 82 GLN HG2 H 2.276 0.030 1 890 82 82 GLN HG3 H 2.276 0.030 1 891 82 82 GLN C C 173.366 0.300 1 892 82 82 GLN CA C 53.282 0.300 1 893 82 82 GLN CB C 27.167 0.300 1 894 82 82 GLN CG C 31.484 0.300 1 895 82 82 GLN N N 120.867 0.300 1 896 82 82 GLN NE2 N 112.370 0.300 1 897 83 83 LYS H H 8.263 0.030 1 898 83 83 LYS HA H 4.479 0.030 1 899 83 83 LYS HB2 H 1.636 0.030 2 900 83 83 LYS HB3 H 1.743 0.030 2 901 83 83 LYS HD2 H 1.600 0.030 1 902 83 83 LYS HD3 H 1.600 0.030 1 903 83 83 LYS HE2 H 2.911 0.030 1 904 83 83 LYS HE3 H 2.911 0.030 1 905 83 83 LYS HG2 H 1.374 0.030 2 906 83 83 LYS HG3 H 1.420 0.030 2 907 83 83 LYS C C 172.059 0.300 1 908 83 83 LYS CA C 52.078 0.300 1 909 83 83 LYS CB C 30.052 0.300 1 910 83 83 LYS CD C 26.981 0.300 1 911 83 83 LYS CE C 39.881 0.300 1 912 83 83 LYS CG C 22.257 0.300 1 913 83 83 LYS N N 124.097 0.300 1 914 84 84 PRO HA H 4.318 0.030 1 915 84 84 PRO HB2 H 1.642 0.030 2 916 84 84 PRO HB3 H 2.124 0.030 2 917 84 84 PRO HD2 H 3.741 0.030 2 918 84 84 PRO HD3 H 3.545 0.030 2 919 84 84 PRO HG2 H 1.919 0.030 1 920 84 84 PRO HG3 H 1.919 0.030 1 921 84 84 PRO C C 174.111 0.300 1 922 84 84 PRO CA C 60.634 0.300 1 923 84 84 PRO CB C 29.730 0.300 1 924 84 84 PRO CD C 48.329 0.300 1 925 84 84 PRO CG C 24.900 0.300 1 926 85 85 VAL H H 8.054 0.030 1 927 85 85 VAL HA H 3.955 0.030 1 928 85 85 VAL HB H 1.882 0.030 1 929 85 85 VAL HG1 H 0.811 0.030 1 930 85 85 VAL HG2 H 0.764 0.030 1 931 85 85 VAL C C 173.513 0.300 1 932 85 85 VAL CA C 59.830 0.300 1 933 85 85 VAL CB C 30.662 0.300 1 934 85 85 VAL CG1 C 18.205 0.300 2 935 85 85 VAL CG2 C 18.835 0.300 2 936 85 85 VAL N N 119.763 0.300 1 937 86 86 PHE H H 8.276 0.030 1 938 86 86 PHE HA H 4.664 0.030 1 939 86 86 PHE HB2 H 2.930 0.030 2 940 86 86 PHE HB3 H 3.065 0.030 2 941 86 86 PHE HD1 H 7.174 0.030 1 942 86 86 PHE HD2 H 7.174 0.030 1 943 86 86 PHE HE1 H 7.244 0.030 1 944 86 86 PHE HE2 H 7.244 0.030 1 945 86 86 PHE HZ H 7.176 0.030 1 946 86 86 PHE C C 173.379 0.300 1 947 86 86 PHE CA C 55.062 0.300 1 948 86 86 PHE CB C 37.555 0.300 1 949 86 86 PHE CD1 C 129.304 0.300 1 950 86 86 PHE CD2 C 129.304 0.300 1 951 86 86 PHE CE1 C 129.304 0.300 1 952 86 86 PHE CE2 C 129.304 0.300 1 953 86 86 PHE CZ C 127.408 0.300 1 954 86 86 PHE N N 123.672 0.300 1 955 87 87 THR H H 8.040 0.030 1 956 87 87 THR HA H 4.283 0.030 1 957 87 87 THR HB H 4.114 0.030 1 958 87 87 THR HG2 H 1.077 0.030 1 959 87 87 THR C C 171.649 0.300 1 960 87 87 THR CA C 59.065 0.300 1 961 87 87 THR CB C 67.656 0.300 1 962 87 87 THR CG2 C 19.086 0.300 1 963 87 87 THR N N 116.035 0.300 1 964 88 88 SER H H 8.176 0.030 1 965 88 88 SER HA H 4.377 0.030 1 966 88 88 SER HB2 H 3.783 0.030 1 967 88 88 SER HB3 H 3.783 0.030 1 968 88 88 SER C C 172.132 0.300 1 969 88 88 SER CA C 55.944 0.300 1 970 88 88 SER CB C 61.371 0.300 1 971 88 88 SER N N 117.609 0.300 1 972 89 89 GLY H H 8.165 0.030 1 973 89 89 GLY HA2 H 4.057 0.030 1 974 89 89 GLY HA3 H 4.057 0.030 1 975 89 89 GLY C C 169.363 0.300 1 976 89 89 GLY CA C 42.261 0.300 1 977 89 89 GLY N N 110.330 0.300 1 978 92 92 SER HA H 4.377 0.030 1 979 92 92 SER HB2 H 3.794 0.030 1 980 92 92 SER HB3 H 3.794 0.030 1 981 92 92 SER C C 171.589 0.300 1 982 92 92 SER CA C 55.979 0.300 1 983 92 92 SER CB C 61.453 0.300 1 984 93 93 GLY H H 7.956 0.030 1 985 93 93 GLY HA2 H 3.674 0.030 2 986 93 93 GLY HA3 H 3.714 0.030 2 987 93 93 GLY C C 176.697 0.300 1 988 93 93 GLY CA C 43.918 0.300 1 989 93 93 GLY N N 116.476 0.300 1 stop_ save_