data_10277 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Chromo domain of chromobox homolog 2 from human ; _BMRB_accession_number 10277 _BMRB_flat_file_name bmr10277.str _Entry_type new _Submission_date 2008-12-15 _Accession_date 2008-12-15 _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 Li H. . . 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" 434 "13C chemical shifts" 308 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the Chromo domain of chromobox homolog 2 from human' _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 Li H. . . 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 'Chromobox protein homolog 2 (isoform 2)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Chromo 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 'Chromo domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; GSSGSSGEQVFAAECILSKR LRKGKLEYLVKWRGWSSKHN SWEPEENILDPRLLLAFQKK EHEKEVQNSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 GLN 10 VAL 11 PHE 12 ALA 13 ALA 14 GLU 15 CYS 16 ILE 17 LEU 18 SER 19 LYS 20 ARG 21 LEU 22 ARG 23 LYS 24 GLY 25 LYS 26 LEU 27 GLU 28 TYR 29 LEU 30 VAL 31 LYS 32 TRP 33 ARG 34 GLY 35 TRP 36 SER 37 SER 38 LYS 39 HIS 40 ASN 41 SER 42 TRP 43 GLU 44 PRO 45 GLU 46 GLU 47 ASN 48 ILE 49 LEU 50 ASP 51 PRO 52 ARG 53 LEU 54 LEU 55 LEU 56 ALA 57 PHE 58 GLN 59 LYS 60 LYS 61 GLU 62 HIS 63 GLU 64 LYS 65 GLU 66 VAL 67 GLN 68 ASN 69 SER 70 GLY 71 PRO 72 SER 73 SER 74 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2D9U "Solution Structure Of The Chromo Domain Of Chromobox Homolog 2 From Human" 100.00 74 100.00 100.00 2.64e-44 PDB 3H91 "Crystal Structure Of The Complex Of Human Chromobox Homolog 2 (Cbx2) And H3k27 Peptide" 72.97 54 100.00 100.00 6.42e-30 DBJ BAE34242 "unnamed protein product [Mus musculus]" 86.49 519 98.44 98.44 6.82e-36 DBJ BAG73012 "chromobox homolog 2 [synthetic construct]" 86.49 532 98.44 98.44 3.81e-36 DBJ BAK20222 "chromobox homolog 2 [Tokudaia osimensis]" 86.49 517 98.44 98.44 5.55e-36 EMBL CAA44398 "modifier 3 (M33) [Mus musculus]" 86.49 519 98.44 98.44 6.68e-36 EMBL CAA73723 "M33 polycomb-like protein [Mus musculus]" 86.49 520 98.44 98.44 8.25e-36 GB AAH04252 "Chromobox homolog 2 (Pc class homolog, Drosophila) [Homo sapiens]" 86.49 211 98.44 98.44 1.66e-35 GB AAH35199 "Chromobox homolog 2 (Drosophila Pc class) [Mus musculus]" 86.49 519 98.44 98.44 6.68e-36 GB AAI19760 "Chromobox homolog 2 (Pc class homolog, Drosophila) [Homo sapiens]" 86.49 211 98.44 98.44 1.66e-35 GB AAI19761 "Chromobox homolog 2 (Pc class homolog, Drosophila) [Homo sapiens]" 86.49 211 98.44 98.44 1.66e-35 GB AAI56119 "Chromobox homolog 2 (Pc class homolog, Drosophila), partial [synthetic construct]" 86.49 532 98.44 98.44 3.81e-36 REF NP_001100541 "chromobox protein homolog 2 [Rattus norvegicus]" 86.49 523 98.44 98.44 6.15e-36 REF NP_001192522 "chromobox protein homolog 2 [Bos taurus]" 86.49 530 98.44 98.44 7.61e-36 REF NP_005180 "chromobox protein homolog 2 isoform 1 [Homo sapiens]" 86.49 532 98.44 98.44 3.81e-36 REF NP_031649 "chromobox protein homolog 2 [Mus musculus]" 86.49 519 98.44 98.44 6.68e-36 REF NP_116036 "chromobox protein homolog 2 isoform 2 [Homo sapiens]" 86.49 211 98.44 98.44 1.66e-35 SP P30658 "RecName: Full=Chromobox protein homolog 2; AltName: Full=M33; AltName: Full=Modifier 3 protein" 86.49 519 98.44 98.44 6.68e-36 SP Q14781 "RecName: Full=Chromobox protein homolog 2" 86.49 532 98.44 98.44 3.81e-36 TPG DAA18115 "TPA: chromobox homolog 2 [Bos taurus]" 86.49 530 98.44 98.44 7.61e-36 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' . . . . plasmid P050613-29 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 $entity_1 1.11 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement 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_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_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _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 'Chromo domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.501 0.030 1 2 6 6 SER HB2 H 3.924 0.030 1 3 6 6 SER HB3 H 3.924 0.030 1 4 6 6 SER C C 175.089 0.300 1 5 6 6 SER CA C 58.675 0.300 1 6 6 6 SER CB C 63.909 0.300 1 7 7 7 GLY H H 8.374 0.030 1 8 7 7 GLY HA2 H 3.966 0.030 1 9 7 7 GLY HA3 H 3.966 0.030 1 10 7 7 GLY C C 174.147 0.300 1 11 7 7 GLY CA C 45.359 0.300 1 12 7 7 GLY N N 110.638 0.300 1 13 8 8 GLU H H 8.255 0.030 1 14 8 8 GLU HA H 4.273 0.030 1 15 8 8 GLU HB2 H 1.905 0.030 2 16 8 8 GLU HB3 H 2.035 0.030 2 17 8 8 GLU HG2 H 2.259 0.030 1 18 8 8 GLU HG3 H 2.259 0.030 1 19 8 8 GLU C C 176.471 0.300 1 20 8 8 GLU CA C 56.582 0.300 1 21 8 8 GLU CB C 30.299 0.300 1 22 8 8 GLU CG C 36.333 0.300 1 23 8 8 GLU N N 120.542 0.300 1 24 9 9 GLN H H 8.397 0.030 1 25 9 9 GLN HA H 4.332 0.030 1 26 9 9 GLN HB2 H 1.985 0.030 2 27 9 9 GLN HB3 H 1.936 0.030 2 28 9 9 GLN HE21 H 6.790 0.030 2 29 9 9 GLN HE22 H 7.396 0.030 2 30 9 9 GLN HG2 H 2.284 0.030 1 31 9 9 GLN HG3 H 2.284 0.030 1 32 9 9 GLN C C 175.365 0.300 1 33 9 9 GLN CA C 55.668 0.300 1 34 9 9 GLN CB C 29.560 0.300 1 35 9 9 GLN CG C 34.031 0.300 1 36 9 9 GLN N N 121.410 0.300 1 37 9 9 GLN NE2 N 112.077 0.300 1 38 10 10 VAL H H 8.104 0.030 1 39 10 10 VAL HA H 4.054 0.030 1 40 10 10 VAL HB H 1.956 0.030 1 41 10 10 VAL HG1 H 0.825 0.030 1 42 10 10 VAL HG2 H 0.855 0.030 1 43 10 10 VAL C C 175.736 0.300 1 44 10 10 VAL CA C 62.334 0.300 1 45 10 10 VAL CB C 33.136 0.300 1 46 10 10 VAL CG1 C 21.115 0.300 2 47 10 10 VAL CG2 C 20.610 0.300 2 48 10 10 VAL N N 121.590 0.300 1 49 11 11 PHE H H 8.491 0.030 1 50 11 11 PHE HA H 4.696 0.030 1 51 11 11 PHE HB2 H 2.490 0.030 1 52 11 11 PHE HB3 H 2.490 0.030 1 53 11 11 PHE HD1 H 6.626 0.030 1 54 11 11 PHE HD2 H 6.626 0.030 1 55 11 11 PHE HE1 H 6.533 0.030 1 56 11 11 PHE HE2 H 6.533 0.030 1 57 11 11 PHE HZ H 6.459 0.030 1 58 11 11 PHE C C 174.477 0.300 1 59 11 11 PHE CA C 57.444 0.300 1 60 11 11 PHE CB C 39.467 0.300 1 61 11 11 PHE CD1 C 130.882 0.300 1 62 11 11 PHE CD2 C 130.882 0.300 1 63 11 11 PHE CE1 C 130.730 0.300 1 64 11 11 PHE CE2 C 130.730 0.300 1 65 11 11 PHE CZ C 129.070 0.300 1 66 11 11 PHE N N 125.302 0.300 1 67 12 12 ALA H H 9.203 0.030 1 68 12 12 ALA HA H 4.866 0.030 1 69 12 12 ALA HB H 1.496 0.030 1 70 12 12 ALA C C 176.813 0.300 1 71 12 12 ALA CA C 51.252 0.300 1 72 12 12 ALA CB C 20.719 0.300 1 73 12 12 ALA N N 127.219 0.300 1 74 13 13 ALA H H 8.891 0.030 1 75 13 13 ALA HA H 3.874 0.030 1 76 13 13 ALA HB H 0.975 0.030 1 77 13 13 ALA C C 176.194 0.300 1 78 13 13 ALA CA C 53.380 0.300 1 79 13 13 ALA CB C 19.448 0.300 1 80 13 13 ALA N N 126.618 0.300 1 81 14 14 GLU H H 9.604 0.030 1 82 14 14 GLU HA H 4.336 0.030 1 83 14 14 GLU HB2 H 1.825 0.030 1 84 14 14 GLU HB3 H 1.825 0.030 1 85 14 14 GLU HG2 H 2.173 0.030 2 86 14 14 GLU HG3 H 2.047 0.030 2 87 14 14 GLU C C 176.093 0.300 1 88 14 14 GLU CA C 57.356 0.300 1 89 14 14 GLU CB C 32.273 0.300 1 90 14 14 GLU CG C 36.287 0.300 1 91 14 14 GLU N N 123.285 0.300 1 92 15 15 CYS H H 7.655 0.030 1 93 15 15 CYS HA H 4.527 0.030 1 94 15 15 CYS HB2 H 2.996 0.030 2 95 15 15 CYS HB3 H 2.853 0.030 2 96 15 15 CYS C C 171.003 0.300 1 97 15 15 CYS CA C 56.674 0.300 1 98 15 15 CYS CB C 29.765 0.300 1 99 15 15 CYS N N 110.806 0.300 1 100 16 16 ILE H H 8.316 0.030 1 101 16 16 ILE HA H 4.344 0.030 1 102 16 16 ILE HB H 1.258 0.030 1 103 16 16 ILE HD1 H 0.206 0.030 1 104 16 16 ILE HG12 H 0.583 0.030 2 105 16 16 ILE HG13 H 1.134 0.030 2 106 16 16 ILE HG2 H 0.116 0.030 1 107 16 16 ILE C C 175.432 0.300 1 108 16 16 ILE CA C 60.047 0.300 1 109 16 16 ILE CB C 39.308 0.300 1 110 16 16 ILE CD1 C 13.090 0.300 1 111 16 16 ILE CG1 C 27.877 0.300 1 112 16 16 ILE CG2 C 17.974 0.300 1 113 16 16 ILE N N 121.665 0.300 1 114 17 17 LEU H H 9.207 0.030 1 115 17 17 LEU HA H 4.425 0.030 1 116 17 17 LEU HB2 H 1.495 0.030 2 117 17 17 LEU HB3 H 1.217 0.030 2 118 17 17 LEU HD1 H 0.665 0.030 1 119 17 17 LEU HD2 H 0.742 0.030 1 120 17 17 LEU HG H 1.388 0.030 1 121 17 17 LEU C C 177.573 0.300 1 122 17 17 LEU CA C 55.825 0.300 1 123 17 17 LEU CB C 44.400 0.300 1 124 17 17 LEU CD1 C 25.892 0.300 2 125 17 17 LEU CD2 C 23.468 0.300 2 126 17 17 LEU CG C 27.380 0.300 1 127 17 17 LEU N N 124.728 0.300 1 128 18 18 SER H H 7.082 0.030 1 129 18 18 SER HA H 4.778 0.030 1 130 18 18 SER HB2 H 3.882 0.030 2 131 18 18 SER HB3 H 3.654 0.030 2 132 18 18 SER C C 171.685 0.300 1 133 18 18 SER CA C 57.075 0.300 1 134 18 18 SER CB C 64.550 0.300 1 135 18 18 SER N N 110.441 0.300 1 136 19 19 LYS H H 8.745 0.030 1 137 19 19 LYS HA H 5.836 0.030 1 138 19 19 LYS HB2 H 1.874 0.030 2 139 19 19 LYS HB3 H 1.765 0.030 2 140 19 19 LYS HD2 H 1.865 0.030 2 141 19 19 LYS HD3 H 1.770 0.030 2 142 19 19 LYS HE2 H 3.053 0.030 1 143 19 19 LYS HE3 H 3.053 0.030 1 144 19 19 LYS HG2 H 1.235 0.030 2 145 19 19 LYS HG3 H 1.565 0.030 2 146 19 19 LYS C C 174.068 0.300 1 147 19 19 LYS CA C 54.770 0.300 1 148 19 19 LYS CB C 37.493 0.300 1 149 19 19 LYS CD C 30.249 0.300 1 150 19 19 LYS CE C 42.335 0.300 1 151 19 19 LYS CG C 23.665 0.300 1 152 19 19 LYS N N 120.354 0.300 1 153 20 20 ARG H H 9.264 0.030 1 154 20 20 ARG HA H 4.703 0.030 1 155 20 20 ARG HB2 H 1.381 0.030 2 156 20 20 ARG HB3 H 1.554 0.030 2 157 20 20 ARG HD2 H 0.655 0.030 2 158 20 20 ARG HD3 H 2.077 0.030 2 159 20 20 ARG HE H 6.535 0.030 1 160 20 20 ARG HG2 H 1.124 0.030 2 161 20 20 ARG HG3 H 0.665 0.030 2 162 20 20 ARG C C 171.618 0.300 1 163 20 20 ARG CA C 54.471 0.300 1 164 20 20 ARG CB C 32.578 0.300 1 165 20 20 ARG CD C 42.458 0.300 1 166 20 20 ARG CG C 25.234 0.300 1 167 20 20 ARG N N 119.809 0.300 1 168 20 20 ARG NE N 83.925 0.300 1 169 21 21 LEU H H 8.286 0.030 1 170 21 21 LEU HA H 4.927 0.030 1 171 21 21 LEU HB2 H 1.442 0.030 2 172 21 21 LEU HB3 H 1.384 0.030 2 173 21 21 LEU HD1 H 0.715 0.030 1 174 21 21 LEU HD2 H 0.734 0.030 1 175 21 21 LEU HG H 1.346 0.030 1 176 21 21 LEU C C 176.880 0.300 1 177 21 21 LEU CA C 53.433 0.300 1 178 21 21 LEU CB C 43.905 0.300 1 179 21 21 LEU CD1 C 24.271 0.300 2 180 21 21 LEU CD2 C 24.748 0.300 2 181 21 21 LEU CG C 27.356 0.300 1 182 21 21 LEU N N 121.552 0.300 1 183 22 22 ARG H H 9.146 0.030 1 184 22 22 ARG HA H 4.434 0.030 1 185 22 22 ARG HB2 H 1.183 0.030 2 186 22 22 ARG HB3 H 1.548 0.030 2 187 22 22 ARG HD2 H 2.825 0.030 2 188 22 22 ARG HD3 H 3.097 0.030 2 189 22 22 ARG HG2 H 1.384 0.030 2 190 22 22 ARG HG3 H 1.175 0.030 2 191 22 22 ARG C C 175.379 0.300 1 192 22 22 ARG CA C 55.468 0.300 1 193 22 22 ARG CB C 33.049 0.300 1 194 22 22 ARG CD C 42.982 0.300 1 195 22 22 ARG CG C 27.522 0.300 1 196 22 22 ARG N N 126.472 0.300 1 197 23 23 LYS H H 9.505 0.030 1 198 23 23 LYS HA H 3.839 0.030 1 199 23 23 LYS HB2 H 1.981 0.030 2 200 23 23 LYS HB3 H 1.774 0.030 2 201 23 23 LYS HD2 H 1.677 0.030 1 202 23 23 LYS HD3 H 1.677 0.030 1 203 23 23 LYS HE2 H 2.981 0.030 1 204 23 23 LYS HE3 H 2.981 0.030 1 205 23 23 LYS HG2 H 1.364 0.030 1 206 23 23 LYS HG3 H 1.364 0.030 1 207 23 23 LYS C C 176.521 0.300 1 208 23 23 LYS CA C 57.127 0.300 1 209 23 23 LYS CB C 29.988 0.300 1 210 23 23 LYS CD C 29.345 0.300 1 211 23 23 LYS CE C 42.171 0.300 1 212 23 23 LYS CG C 25.316 0.300 1 213 24 24 GLY H H 8.438 0.030 1 214 24 24 GLY HA2 H 4.124 0.030 2 215 24 24 GLY HA3 H 3.517 0.030 2 216 24 24 GLY C C 173.338 0.300 1 217 24 24 GLY CA C 45.481 0.300 1 218 24 24 GLY N N 103.048 0.300 1 219 25 25 LYS H H 7.785 0.030 1 220 25 25 LYS HA H 4.635 0.030 1 221 25 25 LYS HB2 H 2.005 0.030 2 222 25 25 LYS HB3 H 1.781 0.030 2 223 25 25 LYS HD2 H 1.785 0.030 1 224 25 25 LYS HD3 H 1.785 0.030 1 225 25 25 LYS HE2 H 3.103 0.030 1 226 25 25 LYS HE3 H 3.103 0.030 1 227 25 25 LYS HG2 H 1.486 0.030 2 228 25 25 LYS HG3 H 1.459 0.030 2 229 25 25 LYS C C 174.733 0.300 1 230 25 25 LYS CA C 54.365 0.300 1 231 25 25 LYS CB C 34.616 0.300 1 232 25 25 LYS CD C 28.908 0.300 1 233 25 25 LYS CE C 42.086 0.300 1 234 25 25 LYS CG C 24.329 0.300 1 235 25 25 LYS N N 121.463 0.300 1 236 26 26 LEU H H 8.555 0.030 1 237 26 26 LEU HA H 4.763 0.030 1 238 26 26 LEU HB2 H 1.565 0.030 2 239 26 26 LEU HB3 H 1.253 0.030 2 240 26 26 LEU HD1 H 0.749 0.030 1 241 26 26 LEU HD2 H 0.867 0.030 1 242 26 26 LEU HG H 1.377 0.030 1 243 26 26 LEU C C 176.596 0.300 1 244 26 26 LEU CA C 54.999 0.300 1 245 26 26 LEU CB C 43.167 0.300 1 246 26 26 LEU CD1 C 24.788 0.300 2 247 26 26 LEU CD2 C 24.886 0.300 2 248 26 26 LEU CG C 27.298 0.300 1 249 26 26 LEU N N 124.731 0.300 1 250 27 27 GLU H H 8.944 0.030 1 251 27 27 GLU HA H 4.923 0.030 1 252 27 27 GLU HB2 H 1.898 0.030 2 253 27 27 GLU HB3 H 1.760 0.030 2 254 27 27 GLU HG2 H 2.167 0.030 2 255 27 27 GLU HG3 H 1.955 0.030 2 256 27 27 GLU C C 174.422 0.300 1 257 27 27 GLU CA C 53.874 0.300 1 258 27 27 GLU CB C 35.191 0.300 1 259 27 27 GLU CG C 36.269 0.300 1 260 27 27 GLU N N 122.189 0.300 1 261 28 28 TYR H H 9.423 0.030 1 262 28 28 TYR HA H 5.265 0.030 1 263 28 28 TYR HB2 H 2.717 0.030 2 264 28 28 TYR HB3 H 2.391 0.030 2 265 28 28 TYR HD1 H 6.817 0.030 1 266 28 28 TYR HD2 H 6.817 0.030 1 267 28 28 TYR HE1 H 6.664 0.030 1 268 28 28 TYR HE2 H 6.664 0.030 1 269 28 28 TYR C C 174.020 0.300 1 270 28 28 TYR CA C 56.511 0.300 1 271 28 28 TYR CB C 41.646 0.300 1 272 28 28 TYR CD1 C 132.873 0.300 1 273 28 28 TYR CD2 C 132.873 0.300 1 274 28 28 TYR CE1 C 117.237 0.300 1 275 28 28 TYR CE2 C 117.237 0.300 1 276 28 28 TYR N N 118.361 0.300 1 277 29 29 LEU H H 7.779 0.030 1 278 29 29 LEU HA H 3.634 0.030 1 279 29 29 LEU HB2 H 0.799 0.030 2 280 29 29 LEU HB3 H -1.413 0.030 2 281 29 29 LEU HD1 H -0.448 0.030 1 282 29 29 LEU HD2 H 0.445 0.030 1 283 29 29 LEU HG H 0.664 0.030 1 284 29 29 LEU C C 173.992 0.300 1 285 29 29 LEU CA C 53.680 0.300 1 286 29 29 LEU CB C 40.115 0.300 1 287 29 29 LEU CD1 C 20.018 0.300 2 288 29 29 LEU CD2 C 25.448 0.300 2 289 29 29 LEU CG C 26.091 0.300 1 290 29 29 LEU N N 127.541 0.300 1 291 30 30 VAL H H 8.936 0.030 1 292 30 30 VAL HA H 3.915 0.030 1 293 30 30 VAL HB H 1.375 0.030 1 294 30 30 VAL HG1 H -0.702 0.030 1 295 30 30 VAL HG2 H 0.387 0.030 1 296 30 30 VAL C C 173.840 0.300 1 297 30 30 VAL CA C 62.106 0.300 1 298 30 30 VAL CB C 34.458 0.300 1 299 30 30 VAL CG1 C 20.177 0.300 2 300 30 30 VAL CG2 C 22.058 0.300 2 301 30 30 VAL N N 130.095 0.300 1 302 31 31 LYS H H 7.596 0.030 1 303 31 31 LYS HA H 4.525 0.030 1 304 31 31 LYS HB2 H 1.824 0.030 2 305 31 31 LYS HB3 H 1.426 0.030 2 306 31 31 LYS HD2 H 1.677 0.030 2 307 31 31 LYS HD3 H 1.925 0.030 2 308 31 31 LYS HE2 H 3.175 0.030 2 309 31 31 LYS HE3 H 3.014 0.030 2 310 31 31 LYS HG2 H 1.352 0.030 2 311 31 31 LYS HG3 H 1.420 0.030 2 312 31 31 LYS C C 175.379 0.300 1 313 31 31 LYS CA C 53.574 0.300 1 314 31 31 LYS CB C 34.848 0.300 1 315 31 31 LYS CD C 29.263 0.300 1 316 31 31 LYS CE C 43.287 0.300 1 317 31 31 LYS CG C 24.905 0.300 1 318 31 31 LYS N N 123.992 0.300 1 319 32 32 TRP H H 9.368 0.030 1 320 32 32 TRP HA H 4.816 0.030 1 321 32 32 TRP HB2 H 3.113 0.030 2 322 32 32 TRP HB3 H 3.292 0.030 2 323 32 32 TRP HD1 H 7.425 0.030 1 324 32 32 TRP HE1 H 10.145 0.030 1 325 32 32 TRP HE3 H 7.184 0.030 1 326 32 32 TRP HH2 H 7.054 0.030 1 327 32 32 TRP HZ2 H 7.355 0.030 1 328 32 32 TRP HZ3 H 6.948 0.030 1 329 32 32 TRP C C 176.830 0.300 1 330 32 32 TRP CA C 56.002 0.300 1 331 32 32 TRP CB C 31.163 0.300 1 332 32 32 TRP CD1 C 130.184 0.300 1 333 32 32 TRP CE3 C 119.494 0.300 1 334 32 32 TRP CH2 C 123.352 0.300 1 335 32 32 TRP CZ2 C 114.387 0.300 1 336 32 32 TRP CZ3 C 121.395 0.300 1 337 32 32 TRP N N 131.754 0.300 1 338 32 32 TRP NE1 N 129.961 0.300 1 339 33 33 ARG H H 9.455 0.030 1 340 33 33 ARG HA H 4.345 0.030 1 341 33 33 ARG HB2 H 1.905 0.030 2 342 33 33 ARG HB3 H 1.675 0.030 2 343 33 33 ARG HD2 H 3.212 0.030 2 344 33 33 ARG HD3 H 3.271 0.030 2 345 33 33 ARG HG2 H 1.575 0.030 2 346 33 33 ARG HG3 H 1.655 0.030 2 347 33 33 ARG C C 178.092 0.300 1 348 33 33 ARG CA C 57.590 0.300 1 349 33 33 ARG CB C 30.400 0.300 1 350 33 33 ARG CD C 43.478 0.300 1 351 33 33 ARG CG C 27.480 0.300 1 352 33 33 ARG N N 124.374 0.300 1 353 34 34 GLY H H 9.319 0.030 1 354 34 34 GLY HA2 H 3.642 0.030 2 355 34 34 GLY HA3 H 3.976 0.030 2 356 34 34 GLY CA C 45.636 0.300 1 357 34 34 GLY N N 114.254 0.300 1 358 35 35 TRP H H 7.725 0.030 1 359 35 35 TRP HA H 4.785 0.030 1 360 35 35 TRP HB2 H 3.094 0.030 2 361 35 35 TRP HB3 H 3.332 0.030 2 362 35 35 TRP HD1 H 7.054 0.030 1 363 35 35 TRP HE1 H 9.275 0.030 1 364 35 35 TRP HE3 H 6.862 0.030 1 365 35 35 TRP HH2 H 6.983 0.030 1 366 35 35 TRP HZ2 H 6.985 0.030 1 367 35 35 TRP HZ3 H 6.797 0.030 1 368 35 35 TRP CA C 55.641 0.300 1 369 35 35 TRP CB C 31.352 0.300 1 370 35 35 TRP CD1 C 127.520 0.300 1 371 35 35 TRP CE3 C 120.175 0.300 1 372 35 35 TRP CH2 C 123.891 0.300 1 373 35 35 TRP CZ2 C 114.415 0.300 1 374 35 35 TRP CZ3 C 121.338 0.300 1 375 35 35 TRP N N 120.008 0.300 1 376 35 35 TRP NE1 N 128.185 0.300 1 377 36 36 SER H H 8.785 0.030 1 378 36 36 SER HA H 4.587 0.030 1 379 36 36 SER HB2 H 4.084 0.030 2 380 36 36 SER HB3 H 4.348 0.030 2 381 36 36 SER CA C 58.364 0.300 1 382 36 36 SER CB C 64.741 0.300 1 383 36 36 SER N N 117.243 0.300 1 384 37 37 SER HA H 4.491 0.030 1 385 37 37 SER HB2 H 3.989 0.030 1 386 37 37 SER HB3 H 3.989 0.030 1 387 37 37 SER CA C 60.248 0.300 1 388 37 37 SER CB C 63.340 0.300 1 389 38 38 LYS HA H 4.155 0.030 1 390 38 38 LYS HB2 H 1.615 0.030 2 391 38 38 LYS HB3 H 1.551 0.030 2 392 38 38 LYS HD2 H 1.405 0.030 2 393 38 38 LYS HD3 H 1.487 0.030 2 394 38 38 LYS HE2 H 2.783 0.030 1 395 38 38 LYS HE3 H 2.783 0.030 1 396 38 38 LYS HG2 H 1.134 0.030 2 397 38 38 LYS HG3 H 1.208 0.030 2 398 38 38 LYS CA C 58.001 0.300 1 399 38 38 LYS CB C 32.378 0.300 1 400 38 38 LYS CD C 28.851 0.300 1 401 38 38 LYS CE C 41.848 0.300 1 402 38 38 LYS CG C 24.466 0.300 1 403 39 39 HIS H H 8.245 0.030 1 404 39 39 HIS HA H 4.460 0.030 1 405 39 39 HIS HB2 H 3.385 0.030 2 406 39 39 HIS HB3 H 3.266 0.030 2 407 39 39 HIS HD2 H 7.312 0.030 1 408 39 39 HIS HE1 H 7.835 0.030 1 409 39 39 HIS CA C 56.031 0.300 1 410 39 39 HIS CB C 30.068 0.300 1 411 39 39 HIS CD2 C 122.930 0.300 1 412 39 39 HIS CE1 C 138.500 0.300 1 413 39 39 HIS N N 117.908 0.300 1 414 40 40 ASN H H 7.746 0.030 1 415 40 40 ASN HA H 5.176 0.030 1 416 40 40 ASN HB2 H 2.665 0.030 2 417 40 40 ASN HB3 H 2.305 0.030 2 418 40 40 ASN HD21 H 6.578 0.030 2 419 40 40 ASN HD22 H 7.005 0.030 2 420 40 40 ASN C C 176.114 0.300 1 421 40 40 ASN CA C 54.102 0.300 1 422 40 40 ASN CB C 37.123 0.300 1 423 40 40 ASN N N 121.018 0.300 1 424 40 40 ASN ND2 N 106.920 0.300 1 425 41 41 SER H H 8.492 0.030 1 426 41 41 SER HA H 4.866 0.030 1 427 41 41 SER HB2 H 4.164 0.030 2 428 41 41 SER HB3 H 3.933 0.030 2 429 41 41 SER C C 172.479 0.300 1 430 41 41 SER CA C 57.145 0.300 1 431 41 41 SER CB C 66.057 0.300 1 432 41 41 SER N N 115.675 0.300 1 433 42 42 TRP H H 8.604 0.030 1 434 42 42 TRP HA H 4.980 0.030 1 435 42 42 TRP HB2 H 2.805 0.030 2 436 42 42 TRP HB3 H 2.955 0.030 2 437 42 42 TRP HD1 H 7.212 0.030 1 438 42 42 TRP HE1 H 10.066 0.030 1 439 42 42 TRP HE3 H 6.952 0.030 1 440 42 42 TRP HH2 H 6.913 0.030 1 441 42 42 TRP HZ2 H 7.405 0.030 1 442 42 42 TRP HZ3 H 6.622 0.030 1 443 42 42 TRP C C 177.025 0.300 1 444 42 42 TRP CA C 56.477 0.300 1 445 42 42 TRP CB C 29.625 0.300 1 446 42 42 TRP CD1 C 127.624 0.300 1 447 42 42 TRP CE3 C 120.033 0.300 1 448 42 42 TRP CH2 C 123.012 0.300 1 449 42 42 TRP CZ2 C 115.025 0.300 1 450 42 42 TRP CZ3 C 121.948 0.300 1 451 42 42 TRP N N 123.109 0.300 1 452 42 42 TRP NE1 N 129.586 0.300 1 453 43 43 GLU H H 9.916 0.030 1 454 43 43 GLU HA H 5.225 0.030 1 455 43 43 GLU HB2 H 1.755 0.030 2 456 43 43 GLU HB3 H 2.306 0.030 2 457 43 43 GLU HG2 H 2.496 0.030 2 458 43 43 GLU HG3 H 2.375 0.030 2 459 43 43 GLU C C 174.192 0.300 1 460 43 43 GLU CA C 52.230 0.300 1 461 43 43 GLU CB C 32.537 0.300 1 462 43 43 GLU CG C 35.465 0.300 1 463 43 43 GLU N N 125.182 0.300 1 464 44 44 PRO HA H 4.934 0.030 1 465 44 44 PRO HB2 H 2.522 0.030 2 466 44 44 PRO HB3 H 2.368 0.030 2 467 44 44 PRO HD2 H 4.074 0.030 2 468 44 44 PRO HD3 H 3.946 0.030 2 469 44 44 PRO HG2 H 1.942 0.030 2 470 44 44 PRO HG3 H 2.185 0.030 2 471 44 44 PRO C C 177.782 0.300 1 472 44 44 PRO CA C 62.525 0.300 1 473 44 44 PRO CB C 32.730 0.300 1 474 44 44 PRO CD C 50.567 0.300 1 475 44 44 PRO CG C 27.468 0.300 1 476 45 45 GLU H H 8.637 0.030 1 477 45 45 GLU HA H 3.965 0.030 1 478 45 45 GLU HB2 H 2.356 0.030 2 479 45 45 GLU HB3 H 2.073 0.030 2 480 45 45 GLU HG2 H 2.311 0.030 2 481 45 45 GLU HG3 H 2.394 0.030 2 482 45 45 GLU C C 177.990 0.300 1 483 45 45 GLU CA C 60.293 0.300 1 484 45 45 GLU CB C 30.235 0.300 1 485 45 45 GLU CG C 36.087 0.300 1 486 45 45 GLU N N 120.441 0.300 1 487 46 46 GLU H H 9.698 0.030 1 488 46 46 GLU HA H 4.243 0.030 1 489 46 46 GLU HB2 H 2.130 0.030 1 490 46 46 GLU HB3 H 2.130 0.030 1 491 46 46 GLU HG2 H 2.392 0.030 1 492 46 46 GLU HG3 H 2.392 0.030 1 493 46 46 GLU C C 176.547 0.300 1 494 46 46 GLU CA C 58.693 0.300 1 495 46 46 GLU CB C 28.448 0.300 1 496 46 46 GLU CG C 35.819 0.300 1 497 46 46 GLU N N 117.193 0.300 1 498 47 47 ASN H H 8.119 0.030 1 499 47 47 ASN HA H 4.922 0.030 1 500 47 47 ASN HB2 H 3.255 0.030 2 501 47 47 ASN HB3 H 3.005 0.030 2 502 47 47 ASN HD21 H 6.945 0.030 2 503 47 47 ASN HD22 H 8.084 0.030 2 504 47 47 ASN C C 175.293 0.300 1 505 47 47 ASN CA C 52.430 0.300 1 506 47 47 ASN CB C 38.439 0.300 1 507 47 47 ASN N N 118.023 0.300 1 508 47 47 ASN ND2 N 109.786 0.300 1 509 48 48 ILE H H 7.695 0.030 1 510 48 48 ILE HA H 4.075 0.030 1 511 48 48 ILE HB H 2.195 0.030 1 512 48 48 ILE HD1 H 0.506 0.030 1 513 48 48 ILE HG12 H 1.210 0.030 2 514 48 48 ILE HG13 H 1.360 0.030 2 515 48 48 ILE HG2 H 0.658 0.030 1 516 48 48 ILE C C 175.029 0.300 1 517 48 48 ILE CA C 59.749 0.300 1 518 48 48 ILE CB C 35.109 0.300 1 519 48 48 ILE CD1 C 10.988 0.300 1 520 48 48 ILE CG1 C 26.668 0.300 1 521 48 48 ILE CG2 C 17.958 0.300 1 522 48 48 ILE N N 121.906 0.300 1 523 49 49 LEU H H 8.137 0.030 1 524 49 49 LEU HA H 4.286 0.030 1 525 49 49 LEU HB2 H 1.705 0.030 2 526 49 49 LEU HB3 H 1.676 0.030 2 527 49 49 LEU HD1 H 1.014 0.030 1 528 49 49 LEU HD2 H 0.886 0.030 1 529 49 49 LEU HG H 1.660 0.030 1 530 49 49 LEU C C 176.808 0.300 1 531 49 49 LEU CA C 55.748 0.300 1 532 49 49 LEU CB C 42.088 0.300 1 533 49 49 LEU CD1 C 25.328 0.300 2 534 49 49 LEU CD2 C 22.695 0.300 2 535 49 49 LEU CG C 27.068 0.300 1 536 49 49 LEU N N 125.062 0.300 1 537 50 50 ASP H H 7.284 0.030 1 538 50 50 ASP HA H 5.077 0.030 1 539 50 50 ASP HB2 H 2.596 0.030 2 540 50 50 ASP HB3 H 2.893 0.030 2 541 50 50 ASP C C 174.968 0.300 1 542 50 50 ASP CA C 50.443 0.300 1 543 50 50 ASP CB C 41.822 0.300 1 544 50 50 ASP N N 118.019 0.300 1 545 51 51 PRO HA H 4.258 0.030 1 546 51 51 PRO HB2 H 2.430 0.030 2 547 51 51 PRO HB3 H 2.024 0.030 2 548 51 51 PRO HD2 H 4.073 0.030 1 549 51 51 PRO HD3 H 4.073 0.030 1 550 51 51 PRO HG2 H 2.085 0.030 1 551 51 51 PRO HG3 H 2.085 0.030 1 552 51 51 PRO C C 179.037 0.300 1 553 51 51 PRO CA C 64.372 0.300 1 554 51 51 PRO CB C 32.382 0.300 1 555 51 51 PRO CD C 51.396 0.300 1 556 51 51 PRO CG C 27.125 0.300 1 557 52 52 ARG H H 8.253 0.030 1 558 52 52 ARG HA H 3.995 0.030 1 559 52 52 ARG HB2 H 1.953 0.030 2 560 52 52 ARG HB3 H 1.893 0.030 2 561 52 52 ARG HD2 H 3.312 0.030 2 562 52 52 ARG HD3 H 3.242 0.030 2 563 52 52 ARG HG2 H 1.785 0.030 2 564 52 52 ARG HG3 H 1.735 0.030 2 565 52 52 ARG C C 179.774 0.300 1 566 52 52 ARG CA C 59.255 0.300 1 567 52 52 ARG CB C 29.608 0.300 1 568 52 52 ARG CD C 43.322 0.300 1 569 52 52 ARG CG C 27.289 0.300 1 570 52 52 ARG N N 117.657 0.300 1 571 53 53 LEU H H 7.576 0.030 1 572 53 53 LEU HA H 4.043 0.030 1 573 53 53 LEU HB2 H 1.685 0.030 2 574 53 53 LEU HB3 H 1.316 0.030 2 575 53 53 LEU HD1 H 0.787 0.030 1 576 53 53 LEU HD2 H 0.656 0.030 1 577 53 53 LEU HG H 1.625 0.030 1 578 53 53 LEU C C 180.197 0.300 1 579 53 53 LEU CA C 57.620 0.300 1 580 53 53 LEU CB C 42.080 0.300 1 581 53 53 LEU CD1 C 25.820 0.300 2 582 53 53 LEU CD2 C 24.048 0.300 2 583 53 53 LEU CG C 27.865 0.300 1 584 53 53 LEU N N 118.887 0.300 1 585 54 54 LEU H H 7.185 0.030 1 586 54 54 LEU HA H 3.966 0.030 1 587 54 54 LEU HB2 H 1.604 0.030 1 588 54 54 LEU HB3 H 1.604 0.030 1 589 54 54 LEU HD1 H 0.750 0.030 1 590 54 54 LEU HD2 H 0.494 0.030 1 591 54 54 LEU HG H 1.351 0.030 1 592 54 54 LEU C C 178.631 0.300 1 593 54 54 LEU CA C 57.549 0.300 1 594 54 54 LEU CB C 41.646 0.300 1 595 54 54 LEU CD1 C 24.518 0.300 2 596 54 54 LEU CD2 C 23.468 0.300 2 597 54 54 LEU CG C 27.125 0.300 1 598 54 54 LEU N N 119.814 0.300 1 599 55 55 LEU H H 7.791 0.030 1 600 55 55 LEU HA H 4.132 0.030 1 601 55 55 LEU HB2 H 1.746 0.030 2 602 55 55 LEU HB3 H 1.616 0.030 2 603 55 55 LEU HD1 H 0.935 0.030 1 604 55 55 LEU HD2 H 0.914 0.030 1 605 55 55 LEU HG H 1.705 0.030 1 606 55 55 LEU C C 179.501 0.300 1 607 55 55 LEU CA C 58.007 0.300 1 608 55 55 LEU CB C 41.523 0.300 1 609 55 55 LEU CD1 C 24.558 0.300 2 610 55 55 LEU CD2 C 23.717 0.300 2 611 55 55 LEU CG C 26.960 0.300 1 612 55 55 LEU N N 120.290 0.300 1 613 56 56 ALA H H 7.771 0.030 1 614 56 56 ALA HA H 4.145 0.030 1 615 56 56 ALA HB H 1.525 0.030 1 616 56 56 ALA C C 180.157 0.300 1 617 56 56 ALA CA C 54.963 0.300 1 618 56 56 ALA CB C 18.232 0.300 1 619 56 56 ALA N N 119.874 0.300 1 620 57 57 PHE H H 7.526 0.030 1 621 57 57 PHE HA H 4.451 0.030 1 622 57 57 PHE HB2 H 3.286 0.030 2 623 57 57 PHE HB3 H 3.069 0.030 2 624 57 57 PHE HD1 H 7.213 0.030 1 625 57 57 PHE HD2 H 7.213 0.030 1 626 57 57 PHE HE1 H 7.196 0.030 1 627 57 57 PHE HE2 H 7.196 0.030 1 628 57 57 PHE HZ H 7.215 0.030 1 629 57 57 PHE C C 176.838 0.300 1 630 57 57 PHE CA C 60.822 0.300 1 631 57 57 PHE CB C 39.878 0.300 1 632 57 57 PHE CD1 C 132.150 0.300 1 633 57 57 PHE CD2 C 132.150 0.300 1 634 57 57 PHE CE1 C 130.978 0.300 1 635 57 57 PHE CE2 C 130.978 0.300 1 636 57 57 PHE CZ C 129.276 0.300 1 637 57 57 PHE N N 119.210 0.300 1 638 58 58 GLN H H 8.415 0.030 1 639 58 58 GLN HA H 3.874 0.030 1 640 58 58 GLN HB2 H 2.255 0.030 2 641 58 58 GLN HB3 H 2.086 0.030 2 642 58 58 GLN HE21 H 6.855 0.030 2 643 58 58 GLN HE22 H 7.372 0.030 2 644 58 58 GLN HG2 H 2.636 0.030 2 645 58 58 GLN HG3 H 2.499 0.030 2 646 58 58 GLN C C 178.639 0.300 1 647 58 58 GLN CA C 58.499 0.300 1 648 58 58 GLN CB C 28.325 0.300 1 649 58 58 GLN CG C 34.228 0.300 1 650 58 58 GLN N N 118.702 0.300 1 651 58 58 GLN NE2 N 110.334 0.300 1 652 59 59 LYS H H 7.918 0.030 1 653 59 59 LYS HA H 4.121 0.030 1 654 59 59 LYS HB2 H 1.900 0.030 1 655 59 59 LYS HB3 H 1.900 0.030 1 656 59 59 LYS HD2 H 1.699 0.030 1 657 59 59 LYS HD3 H 1.699 0.030 1 658 59 59 LYS HE2 H 2.993 0.030 1 659 59 59 LYS HE3 H 2.993 0.030 1 660 59 59 LYS HG2 H 1.455 0.030 2 661 59 59 LYS HG3 H 1.575 0.030 2 662 59 59 LYS C C 178.269 0.300 1 663 59 59 LYS CA C 58.921 0.300 1 664 59 59 LYS CB C 32.437 0.300 1 665 59 59 LYS CD C 29.295 0.300 1 666 59 59 LYS CE C 42.253 0.300 1 667 59 59 LYS CG C 25.316 0.300 1 668 59 59 LYS N N 119.131 0.300 1 669 60 60 LYS H H 7.595 0.030 1 670 60 60 LYS HA H 4.133 0.030 1 671 60 60 LYS HB2 H 1.884 0.030 1 672 60 60 LYS HB3 H 1.884 0.030 1 673 60 60 LYS HD2 H 1.745 0.030 1 674 60 60 LYS HD3 H 1.745 0.030 1 675 60 60 LYS HE2 H 3.039 0.030 1 676 60 60 LYS HE3 H 3.039 0.030 1 677 60 60 LYS HG2 H 1.555 0.030 2 678 60 60 LYS HG3 H 1.465 0.030 2 679 60 60 LYS C C 178.836 0.300 1 680 60 60 LYS CA C 58.323 0.300 1 681 60 60 LYS CB C 32.150 0.300 1 682 60 60 LYS CD C 29.098 0.300 1 683 60 60 LYS CE C 42.171 0.300 1 684 60 60 LYS CG C 24.740 0.300 1 685 60 60 LYS N N 120.016 0.300 1 686 61 61 GLU H H 8.095 0.030 1 687 61 61 GLU HA H 3.936 0.030 1 688 61 61 GLU HB2 H 1.803 0.030 1 689 61 61 GLU HB3 H 1.803 0.030 1 690 61 61 GLU HG2 H 1.795 0.030 2 691 61 61 GLU HG3 H 1.694 0.030 2 692 61 61 GLU C C 178.233 0.300 1 693 61 61 GLU CA C 58.605 0.300 1 694 61 61 GLU CB C 29.806 0.300 1 695 61 61 GLU CG C 36.745 0.300 1 696 61 61 GLU N N 119.560 0.300 1 697 62 62 HIS H H 8.037 0.030 1 698 62 62 HIS HA H 4.517 0.030 1 699 62 62 HIS HB2 H 3.186 0.030 2 700 62 62 HIS HB3 H 3.285 0.030 2 701 62 62 HIS HD2 H 7.114 0.030 1 702 62 62 HIS HE1 H 8.018 0.030 1 703 62 62 HIS C C 176.449 0.300 1 704 62 62 HIS CA C 57.740 0.300 1 705 62 62 HIS CB C 29.928 0.300 1 706 62 62 HIS CD2 C 120.338 0.300 1 707 62 62 HIS CE1 C 137.918 0.300 1 708 62 62 HIS N N 118.437 0.300 1 709 63 63 GLU H H 8.010 0.030 1 710 63 63 GLU HA H 4.096 0.030 1 711 63 63 GLU HB2 H 2.078 0.030 1 712 63 63 GLU HB3 H 2.078 0.030 1 713 63 63 GLU HG2 H 2.425 0.030 2 714 63 63 GLU HG3 H 2.273 0.030 2 715 63 63 GLU C C 177.485 0.300 1 716 63 63 GLU CA C 57.954 0.300 1 717 63 63 GLU CB C 29.783 0.300 1 718 63 63 GLU CG C 36.562 0.300 1 719 63 63 GLU N N 119.622 0.300 1 720 64 64 LYS H H 7.874 0.030 1 721 64 64 LYS HA H 4.213 0.030 1 722 64 64 LYS HB2 H 1.865 0.030 1 723 64 64 LYS HB3 H 1.865 0.030 1 724 64 64 LYS HD2 H 1.708 0.030 1 725 64 64 LYS HD3 H 1.708 0.030 1 726 64 64 LYS HE2 H 3.010 0.030 1 727 64 64 LYS HE3 H 3.010 0.030 1 728 64 64 LYS HG2 H 1.465 0.030 2 729 64 64 LYS HG3 H 1.546 0.030 2 730 64 64 LYS C C 177.341 0.300 1 731 64 64 LYS CA C 57.479 0.300 1 732 64 64 LYS CB C 32.684 0.300 1 733 64 64 LYS CD C 29.345 0.300 1 734 64 64 LYS CE C 42.089 0.300 1 735 64 64 LYS CG C 24.823 0.300 1 736 64 64 LYS N N 119.617 0.300 1 737 65 65 GLU H H 8.044 0.030 1 738 65 65 GLU HA H 4.236 0.030 1 739 65 65 GLU HB2 H 2.064 0.030 1 740 65 65 GLU HB3 H 2.064 0.030 1 741 65 65 GLU HG2 H 2.266 0.030 2 742 65 65 GLU HG3 H 2.356 0.030 2 743 65 65 GLU C C 177.451 0.300 1 744 65 65 GLU CA C 57.426 0.300 1 745 65 65 GLU CB C 29.971 0.300 1 746 65 65 GLU CG C 36.308 0.300 1 747 65 65 GLU N N 120.606 0.300 1 748 66 66 VAL H H 8.028 0.030 1 749 66 66 VAL HA H 4.035 0.030 1 750 66 66 VAL HB H 2.082 0.030 1 751 66 66 VAL HG1 H 0.907 0.030 1 752 66 66 VAL HG2 H 0.907 0.030 1 753 66 66 VAL C C 176.848 0.300 1 754 66 66 VAL CA C 63.160 0.300 1 755 66 66 VAL CB C 32.396 0.300 1 756 66 66 VAL CG1 C 20.873 0.300 2 757 66 66 VAL CG2 C 21.165 0.300 2 758 66 66 VAL N N 119.834 0.300 1 759 67 67 GLN H H 8.265 0.030 1 760 67 67 GLN HA H 4.313 0.030 1 761 67 67 GLN HB2 H 2.046 0.030 2 762 67 67 GLN HB3 H 2.131 0.030 2 763 67 67 GLN HE21 H 6.850 0.030 2 764 67 67 GLN HE22 H 7.525 0.030 2 765 67 67 GLN HG2 H 2.406 0.030 1 766 67 67 GLN HG3 H 2.406 0.030 1 767 67 67 GLN C C 176.073 0.300 1 768 67 67 GLN CA C 56.283 0.300 1 769 67 67 GLN CB C 29.216 0.300 1 770 67 67 GLN CG C 33.815 0.300 1 771 67 67 GLN N N 122.698 0.300 1 772 67 67 GLN NE2 N 112.340 0.300 1 773 68 68 ASN H H 8.391 0.030 1 774 68 68 ASN HA H 4.782 0.030 1 775 68 68 ASN HB2 H 2.814 0.030 2 776 68 68 ASN HB3 H 2.898 0.030 2 777 68 68 ASN HD21 H 6.909 0.030 2 778 68 68 ASN HD22 H 7.646 0.030 2 779 68 68 ASN C C 175.242 0.300 1 780 68 68 ASN CA C 53.487 0.300 1 781 68 68 ASN CB C 39.138 0.300 1 782 68 68 ASN N N 119.609 0.300 1 783 68 68 ASN ND2 N 112.991 0.300 1 784 69 69 SER H H 8.272 0.030 1 785 69 69 SER HA H 4.501 0.030 1 786 69 69 SER HB2 H 3.924 0.030 1 787 69 69 SER HB3 H 3.924 0.030 1 788 69 69 SER C C 174.630 0.300 1 789 69 69 SER CA C 58.587 0.300 1 790 69 69 SER CB C 64.174 0.300 1 791 69 69 SER N N 116.106 0.300 1 792 70 70 GLY H H 8.251 0.030 1 793 70 70 GLY HA2 H 4.175 0.030 2 794 70 70 GLY HA3 H 4.144 0.030 2 795 70 70 GLY C C 171.843 0.300 1 796 70 70 GLY CA C 44.709 0.300 1 797 70 70 GLY N N 110.658 0.300 1 798 71 71 PRO HA H 4.501 0.030 1 799 71 71 PRO HB2 H 2.322 0.030 2 800 71 71 PRO HB3 H 1.999 0.030 2 801 71 71 PRO HD2 H 3.659 0.030 1 802 71 71 PRO HD3 H 3.659 0.030 1 803 71 71 PRO HG2 H 2.042 0.030 1 804 71 71 PRO HG3 H 2.042 0.030 1 805 71 71 PRO C C 177.457 0.300 1 806 71 71 PRO CA C 63.300 0.300 1 807 71 71 PRO CB C 32.008 0.300 1 808 71 71 PRO CD C 49.856 0.300 1 809 71 71 PRO CG C 27.207 0.300 1 810 72 72 SER H H 8.536 0.030 1 811 72 72 SER CA C 58.429 0.300 1 812 72 72 SER N N 116.458 0.300 1 stop_ save_