data_11305 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the LIM Domain of the Human Actin Binding LIM Protein 2 ; _BMRB_accession_number 11305 _BMRB_flat_file_name bmr11305.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miyamoto K. . . 2 Tomizawa T. . . 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" 399 "13C chemical shifts" 308 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the LIM Domain of the Human Actin Binding LIM Protein 2' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miyamoto K. . . 2 Tomizawa T. . . 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 'Actin Binding LIM Protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LIM Domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'LIM Domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; GSSGSSGLDYQRLYGTRCFS CDQFIEGEVVSALGKTYHPD CFVCAVCRLPFPPGDRVTFN GKECMCQKCSLPVSVSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 ASP 10 TYR 11 GLN 12 ARG 13 LEU 14 TYR 15 GLY 16 THR 17 ARG 18 CYS 19 PHE 20 SER 21 CYS 22 ASP 23 GLN 24 PHE 25 ILE 26 GLU 27 GLY 28 GLU 29 VAL 30 VAL 31 SER 32 ALA 33 LEU 34 GLY 35 LYS 36 THR 37 TYR 38 HIS 39 PRO 40 ASP 41 CYS 42 PHE 43 VAL 44 CYS 45 ALA 46 VAL 47 CYS 48 ARG 49 LEU 50 PRO 51 PHE 52 PRO 53 PRO 54 GLY 55 ASP 56 ARG 57 VAL 58 THR 59 PHE 60 ASN 61 GLY 62 LYS 63 GLU 64 CYS 65 MET 66 CYS 67 GLN 68 LYS 69 CYS 70 SER 71 LEU 72 PRO 73 VAL 74 SER 75 VAL 76 SER 77 GLY 78 PRO 79 SER 80 SER 81 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 1V6G "Solution Structure Of The Lim Domain Of The Human Actin Binding Lim Protein 2" 100.00 81 100.00 100.00 2.74e-50 REF XP_004038463 "PREDICTED: actin-binding LIM protein 2-like [Gorilla gorilla gorilla]" 50.62 113 100.00 100.00 2.64e-20 REF XP_008577003 "PREDICTED: actin-binding LIM protein 2-like [Galeopterus variegatus]" 50.62 129 100.00 100.00 4.96e-20 REF XP_009204733 "PREDICTED: actin-binding LIM protein 2 isoform X1 [Papio anubis]" 51.85 211 97.62 100.00 5.14e-20 REF XP_009204734 "PREDICTED: actin-binding LIM protein 2 isoform X2 [Papio anubis]" 83.95 200 100.00 100.00 4.71e-41 REF XP_009204735 "PREDICTED: actin-binding LIM protein 2 isoform X3 [Papio anubis]" 83.95 199 100.00 100.00 5.50e-41 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P020930-36 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.22mM LIM Domain {U-13C,15N;} 20mM d-Tris-HCl(pH {7.5);} 100mM {NaCl;} 0.02% {NaN3;} 0.1mM {ZnCl2;} 90% H2O,10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.22 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.1 mM '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 0.863 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_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 7.5 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 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 'LIM 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 3.994 0.030 1 2 7 7 GLY HA3 H 3.994 0.030 1 3 7 7 GLY C C 174.322 0.300 1 4 7 7 GLY CA C 45.540 0.300 1 5 8 8 LEU H H 8.088 0.030 1 6 8 8 LEU HA H 4.296 0.030 1 7 8 8 LEU HB2 H 1.475 0.030 2 8 8 8 LEU HB3 H 1.576 0.030 2 9 8 8 LEU HD1 H 0.904 0.030 1 10 8 8 LEU HD2 H 0.851 0.030 1 11 8 8 LEU HG H 1.576 0.030 1 12 8 8 LEU C C 177.324 0.300 1 13 8 8 LEU CA C 55.502 0.300 1 14 8 8 LEU CB C 42.341 0.300 1 15 8 8 LEU CD1 C 24.994 0.300 2 16 8 8 LEU CD2 C 23.490 0.300 2 17 8 8 LEU CG C 26.999 0.300 1 18 8 8 LEU N N 121.561 0.300 1 19 9 9 ASP H H 8.286 0.030 1 20 9 9 ASP HA H 4.538 0.030 1 21 9 9 ASP HB2 H 2.682 0.030 2 22 9 9 ASP HB3 H 2.593 0.030 2 23 9 9 ASP C C 176.471 0.300 1 24 9 9 ASP CA C 54.664 0.300 1 25 9 9 ASP CB C 40.847 0.300 1 26 9 9 ASP N N 120.491 0.300 1 27 10 10 TYR H H 7.995 0.030 1 28 10 10 TYR HA H 4.378 0.030 1 29 10 10 TYR HB2 H 3.028 0.030 2 30 10 10 TYR HB3 H 3.060 0.030 2 31 10 10 TYR HD1 H 7.103 0.030 1 32 10 10 TYR HD2 H 7.103 0.030 1 33 10 10 TYR HE1 H 6.806 0.030 1 34 10 10 TYR HE2 H 6.806 0.030 1 35 10 10 TYR C C 176.329 0.300 1 36 10 10 TYR CA C 59.189 0.300 1 37 10 10 TYR CB C 38.551 0.300 1 38 10 10 TYR CD1 C 133.241 0.300 1 39 10 10 TYR CD2 C 133.241 0.300 1 40 10 10 TYR CE1 C 118.381 0.300 1 41 10 10 TYR CE2 C 118.381 0.300 1 42 10 10 TYR N N 120.587 0.300 1 43 11 11 GLN H H 8.163 0.030 1 44 11 11 GLN HA H 4.111 0.030 1 45 11 11 GLN HB2 H 1.947 0.030 1 46 11 11 GLN HB3 H 1.947 0.030 1 47 11 11 GLN HE21 H 6.845 0.030 2 48 11 11 GLN HE22 H 7.499 0.030 2 49 11 11 GLN HG2 H 2.222 0.030 1 50 11 11 GLN HG3 H 2.222 0.030 1 51 11 11 GLN C C 176.458 0.300 1 52 11 11 GLN CA C 56.776 0.300 1 53 11 11 GLN CB C 29.019 0.300 1 54 11 11 GLN CG C 33.939 0.300 1 55 11 11 GLN N N 120.240 0.300 1 56 11 11 GLN NE2 N 111.992 0.300 1 57 12 12 ARG H H 7.974 0.030 1 58 12 12 ARG HA H 4.137 0.030 1 59 12 12 ARG HB2 H 1.721 0.030 1 60 12 12 ARG HB3 H 1.721 0.030 1 61 12 12 ARG HD2 H 3.101 0.030 1 62 12 12 ARG HD3 H 3.101 0.030 1 63 12 12 ARG HG2 H 1.475 0.030 2 64 12 12 ARG HG3 H 1.559 0.030 2 65 12 12 ARG C C 176.351 0.300 1 66 12 12 ARG CA C 56.851 0.300 1 67 12 12 ARG CB C 30.456 0.300 1 68 12 12 ARG CD C 43.351 0.300 1 69 12 12 ARG CG C 27.333 0.300 1 70 12 12 ARG N N 120.292 0.300 1 71 13 13 LEU H H 7.892 0.030 1 72 13 13 LEU HA H 4.186 0.030 1 73 13 13 LEU HB2 H 1.400 0.030 2 74 13 13 LEU HB3 H 1.142 0.030 2 75 13 13 LEU HD1 H 0.814 0.030 1 76 13 13 LEU HD2 H 0.748 0.030 1 77 13 13 LEU HG H 1.398 0.030 1 78 13 13 LEU C C 177.155 0.300 1 79 13 13 LEU CA C 55.517 0.300 1 80 13 13 LEU CB C 42.691 0.300 1 81 13 13 LEU CD1 C 24.910 0.300 2 82 13 13 LEU CD2 C 23.323 0.300 2 83 13 13 LEU CG C 26.901 0.300 1 84 13 13 LEU N N 121.292 0.300 1 85 14 14 TYR H H 7.939 0.030 1 86 14 14 TYR HA H 4.596 0.030 1 87 14 14 TYR HB2 H 2.668 0.030 2 88 14 14 TYR HB3 H 3.036 0.030 2 89 14 14 TYR HD1 H 6.996 0.030 1 90 14 14 TYR HD2 H 6.996 0.030 1 91 14 14 TYR HE1 H 6.765 0.030 1 92 14 14 TYR HE2 H 6.765 0.030 1 93 14 14 TYR C C 175.947 0.300 1 94 14 14 TYR CA C 57.371 0.300 1 95 14 14 TYR CB C 39.057 0.300 1 96 14 14 TYR CD1 C 133.385 0.300 1 97 14 14 TYR CD2 C 133.385 0.300 1 98 14 14 TYR CE1 C 118.059 0.300 1 99 14 14 TYR CE2 C 118.059 0.300 1 100 14 14 TYR N N 118.392 0.300 1 101 15 15 GLY H H 8.036 0.030 1 102 15 15 GLY HA2 H 3.862 0.030 2 103 15 15 GLY HA3 H 3.918 0.030 2 104 15 15 GLY C C 173.388 0.300 1 105 15 15 GLY CA C 45.222 0.300 1 106 15 15 GLY N N 109.415 0.300 1 107 16 16 THR H H 8.667 0.030 1 108 16 16 THR HA H 4.374 0.030 1 109 16 16 THR HB H 3.998 0.030 1 110 16 16 THR HG2 H 1.193 0.030 1 111 16 16 THR C C 173.170 0.300 1 112 16 16 THR CA C 62.309 0.300 1 113 16 16 THR CB C 69.937 0.300 1 114 16 16 THR CG2 C 22.355 0.300 1 115 16 16 THR N N 117.373 0.300 1 116 17 17 ARG H H 8.703 0.030 1 117 17 17 ARG HA H 4.287 0.030 1 118 17 17 ARG HB2 H 1.238 0.030 2 119 17 17 ARG HB3 H 1.374 0.030 2 120 17 17 ARG HD2 H 2.792 0.030 1 121 17 17 ARG HD3 H 2.792 0.030 1 122 17 17 ARG HG2 H 0.775 0.030 2 123 17 17 ARG HG3 H 1.081 0.030 2 124 17 17 ARG C C 175.161 0.300 1 125 17 17 ARG CA C 55.037 0.300 1 126 17 17 ARG CB C 32.779 0.300 1 127 17 17 ARG CD C 43.093 0.300 1 128 17 17 ARG CG C 27.965 0.300 1 129 17 17 ARG N N 126.161 0.300 1 130 18 18 CYS H H 8.317 0.030 1 131 18 18 CYS HA H 4.525 0.030 1 132 18 18 CYS HB2 H 3.534 0.030 2 133 18 18 CYS HB3 H 2.304 0.030 2 134 18 18 CYS C C 177.334 0.300 1 135 18 18 CYS CA C 58.048 0.300 1 136 18 18 CYS CB C 31.366 0.300 1 137 18 18 CYS N N 125.507 0.300 1 138 19 19 PHE H H 9.306 0.030 1 139 19 19 PHE HA H 4.186 0.030 1 140 19 19 PHE HB2 H 3.107 0.030 2 141 19 19 PHE HB3 H 2.317 0.030 2 142 19 19 PHE HD1 H 7.411 0.030 1 143 19 19 PHE HD2 H 7.411 0.030 1 144 19 19 PHE HE1 H 7.460 0.030 1 145 19 19 PHE HE2 H 7.460 0.030 1 146 19 19 PHE HZ H 7.371 0.030 1 147 19 19 PHE C C 175.725 0.300 1 148 19 19 PHE CA C 60.631 0.300 1 149 19 19 PHE CB C 39.423 0.300 1 150 19 19 PHE CD1 C 132.061 0.300 1 151 19 19 PHE CD2 C 132.061 0.300 1 152 19 19 PHE CE1 C 131.480 0.300 1 153 19 19 PHE CE2 C 131.480 0.300 1 154 19 19 PHE CZ C 129.897 0.300 1 155 19 19 PHE N N 131.480 0.300 1 156 20 20 SER H H 8.609 0.030 1 157 20 20 SER HA H 4.701 0.030 1 158 20 20 SER HB2 H 4.340 0.030 1 159 20 20 SER HB3 H 4.340 0.030 1 160 20 20 SER C C 175.791 0.300 1 161 20 20 SER CA C 60.519 0.300 1 162 20 20 SER CB C 64.377 0.300 1 163 20 20 SER N N 112.292 0.300 1 164 21 21 CYS H H 8.123 0.030 1 165 21 21 CYS HA H 4.986 0.030 1 166 21 21 CYS HB2 H 3.389 0.030 2 167 21 21 CYS HB3 H 3.034 0.030 2 168 21 21 CYS C C 176.008 0.300 1 169 21 21 CYS CA C 58.935 0.300 1 170 21 21 CYS CB C 31.431 0.300 1 171 21 21 CYS N N 117.072 0.300 1 172 22 22 ASP H H 8.121 0.030 1 173 22 22 ASP HA H 4.509 0.030 1 174 22 22 ASP HB2 H 2.972 0.030 2 175 22 22 ASP HB3 H 2.525 0.030 2 176 22 22 ASP C C 174.595 0.300 1 177 22 22 ASP CA C 56.351 0.300 1 178 22 22 ASP CB C 41.100 0.300 1 179 22 22 ASP N N 120.568 0.300 1 180 23 23 GLN H H 8.116 0.030 1 181 23 23 GLN HA H 4.563 0.030 1 182 23 23 GLN HB2 H 2.473 0.030 2 183 23 23 GLN HB3 H 2.172 0.030 2 184 23 23 GLN HE21 H 7.489 0.030 2 185 23 23 GLN HE22 H 6.948 0.030 2 186 23 23 GLN HG2 H 2.542 0.030 1 187 23 23 GLN HG3 H 2.542 0.030 1 188 23 23 GLN C C 176.541 0.300 1 189 23 23 GLN CA C 53.933 0.300 1 190 23 23 GLN CB C 30.402 0.300 1 191 23 23 GLN CG C 33.880 0.300 1 192 23 23 GLN N N 117.058 0.300 1 193 23 23 GLN NE2 N 113.805 0.300 1 194 24 24 PHE H H 8.600 0.030 1 195 24 24 PHE HA H 4.574 0.030 1 196 24 24 PHE HB2 H 3.058 0.030 2 197 24 24 PHE HB3 H 2.892 0.030 2 198 24 24 PHE HD1 H 7.153 0.030 1 199 24 24 PHE HD2 H 7.153 0.030 1 200 24 24 PHE HE1 H 7.260 0.030 1 201 24 24 PHE HE2 H 7.260 0.030 1 202 24 24 PHE HZ H 7.235 0.030 1 203 24 24 PHE C C 176.442 0.300 1 204 24 24 PHE CA C 59.674 0.300 1 205 24 24 PHE CB C 39.170 0.300 1 206 24 24 PHE CD1 C 131.254 0.300 1 207 24 24 PHE CD2 C 131.254 0.300 1 208 24 24 PHE CE1 C 131.361 0.300 1 209 24 24 PHE CE2 C 131.361 0.300 1 210 24 24 PHE CZ C 129.916 0.300 1 211 24 24 PHE N N 119.885 0.300 1 212 25 25 ILE H H 8.523 0.030 1 213 25 25 ILE HA H 3.922 0.030 1 214 25 25 ILE HB H 1.367 0.030 1 215 25 25 ILE HD1 H 0.340 0.030 1 216 25 25 ILE HG12 H -0.563 0.030 2 217 25 25 ILE HG13 H 1.238 0.030 2 218 25 25 ILE HG2 H 0.675 0.030 1 219 25 25 ILE C C 175.733 0.300 1 220 25 25 ILE CA C 61.505 0.300 1 221 25 25 ILE CB C 38.849 0.300 1 222 25 25 ILE CD1 C 14.635 0.300 1 223 25 25 ILE CG1 C 26.648 0.300 1 224 25 25 ILE CG2 C 19.177 0.300 1 225 25 25 ILE N N 123.092 0.300 1 226 26 26 GLU H H 9.199 0.030 1 227 26 26 GLU HA H 4.516 0.030 1 228 26 26 GLU HB2 H 1.982 0.030 2 229 26 26 GLU HB3 H 2.110 0.030 2 230 26 26 GLU HG2 H 2.208 0.030 2 231 26 26 GLU HG3 H 2.273 0.030 2 232 26 26 GLU C C 176.405 0.300 1 233 26 26 GLU CA C 55.851 0.300 1 234 26 26 GLU CB C 30.755 0.300 1 235 26 26 GLU CG C 36.491 0.300 1 236 26 26 GLU N N 129.582 0.300 1 237 27 27 GLY H H 8.295 0.030 1 238 27 27 GLY HA2 H 3.974 0.030 2 239 27 27 GLY HA3 H 4.029 0.030 2 240 27 27 GLY C C 173.272 0.300 1 241 27 27 GLY CA C 44.916 0.300 1 242 27 27 GLY N N 112.710 0.300 1 243 28 28 GLU H H 8.427 0.030 1 244 28 28 GLU HA H 4.059 0.030 1 245 28 28 GLU HB2 H 1.957 0.030 1 246 28 28 GLU HB3 H 1.957 0.030 1 247 28 28 GLU HG2 H 2.201 0.030 2 248 28 28 GLU HG3 H 2.341 0.030 2 249 28 28 GLU C C 174.607 0.300 1 250 28 28 GLU CA C 57.617 0.300 1 251 28 28 GLU CB C 30.660 0.300 1 252 28 28 GLU CG C 36.271 0.300 1 253 28 28 GLU N N 125.478 0.300 1 254 29 29 VAL H H 8.195 0.030 1 255 29 29 VAL HA H 4.345 0.030 1 256 29 29 VAL HB H 1.920 0.030 1 257 29 29 VAL HG1 H 0.806 0.030 1 258 29 29 VAL HG2 H 0.896 0.030 1 259 29 29 VAL C C 176.546 0.300 1 260 29 29 VAL CA C 60.579 0.300 1 261 29 29 VAL CB C 35.211 0.300 1 262 29 29 VAL CG1 C 21.376 0.300 2 263 29 29 VAL CG2 C 21.485 0.300 2 264 29 29 VAL N N 120.802 0.300 1 265 30 30 VAL H H 8.793 0.030 1 266 30 30 VAL HA H 4.279 0.030 1 267 30 30 VAL HB H 1.804 0.030 1 268 30 30 VAL HG1 H 0.919 0.030 1 269 30 30 VAL HG2 H 0.491 0.030 1 270 30 30 VAL C C 174.591 0.300 1 271 30 30 VAL CA C 61.701 0.300 1 272 30 30 VAL CB C 33.471 0.300 1 273 30 30 VAL CG1 C 21.930 0.300 2 274 30 30 VAL CG2 C 20.456 0.300 2 275 30 30 VAL N N 126.763 0.300 1 276 31 31 SER H H 8.550 0.030 1 277 31 31 SER HA H 5.361 0.030 1 278 31 31 SER HB2 H 3.573 0.030 2 279 31 31 SER HB3 H 3.664 0.030 2 280 31 31 SER C C 173.666 0.300 1 281 31 31 SER CA C 56.250 0.300 1 282 31 31 SER CB C 64.151 0.300 1 283 31 31 SER N N 122.736 0.300 1 284 32 32 ALA H H 8.557 0.030 1 285 32 32 ALA HA H 4.460 0.030 1 286 32 32 ALA HB H 0.976 0.030 1 287 32 32 ALA C C 176.331 0.300 1 288 32 32 ALA CA C 52.177 0.300 1 289 32 32 ALA CB C 22.201 0.300 1 290 32 32 ALA N N 127.737 0.300 1 291 33 33 LEU H H 9.234 0.030 1 292 33 33 LEU HA H 3.871 0.030 1 293 33 33 LEU HB2 H 1.519 0.030 2 294 33 33 LEU HB3 H 1.762 0.030 2 295 33 33 LEU HD1 H 0.797 0.030 1 296 33 33 LEU HD2 H 0.782 0.030 1 297 33 33 LEU HG H 1.445 0.030 1 298 33 33 LEU C C 176.757 0.300 1 299 33 33 LEU CA C 55.344 0.300 1 300 33 33 LEU CB C 38.832 0.300 1 301 33 33 LEU CD1 C 25.857 0.300 2 302 33 33 LEU CD2 C 23.076 0.300 2 303 33 33 LEU CG C 26.961 0.300 1 304 33 33 LEU N N 121.029 0.300 1 305 34 34 GLY H H 8.541 0.030 1 306 34 34 GLY HA2 H 4.037 0.030 2 307 34 34 GLY HA3 H 3.522 0.030 2 308 34 34 GLY C C 174.024 0.300 1 309 34 34 GLY CA C 45.381 0.300 1 310 34 34 GLY N N 104.815 0.300 1 311 35 35 LYS H H 7.919 0.030 1 312 35 35 LYS HA H 4.420 0.030 1 313 35 35 LYS HB2 H 1.096 0.030 2 314 35 35 LYS HB3 H 1.707 0.030 2 315 35 35 LYS HD2 H 0.763 0.030 2 316 35 35 LYS HD3 H 0.828 0.030 2 317 35 35 LYS HE2 H 2.215 0.030 2 318 35 35 LYS HE3 H 2.286 0.030 2 319 35 35 LYS HG2 H 0.657 0.030 2 320 35 35 LYS HG3 H 0.708 0.030 2 321 35 35 LYS C C 175.166 0.300 1 322 35 35 LYS CA C 53.690 0.300 1 323 35 35 LYS CB C 35.108 0.300 1 324 35 35 LYS CD C 27.908 0.300 1 325 35 35 LYS CE C 42.306 0.300 1 326 35 35 LYS CG C 24.462 0.300 1 327 35 35 LYS N N 121.220 0.300 1 328 36 36 THR H H 7.615 0.030 1 329 36 36 THR HA H 5.078 0.030 1 330 36 36 THR HB H 3.715 0.030 1 331 36 36 THR HG2 H 0.969 0.030 1 332 36 36 THR C C 173.697 0.300 1 333 36 36 THR CA C 58.953 0.300 1 334 36 36 THR CB C 71.470 0.300 1 335 36 36 THR CG2 C 21.684 0.300 1 336 36 36 THR N N 109.698 0.300 1 337 37 37 TYR H H 9.232 0.030 1 338 37 37 TYR HA H 5.971 0.030 1 339 37 37 TYR HB2 H 3.406 0.030 2 340 37 37 TYR HB3 H 2.395 0.030 2 341 37 37 TYR HD1 H 6.922 0.030 1 342 37 37 TYR HD2 H 6.922 0.030 1 343 37 37 TYR HE1 H 6.854 0.030 1 344 37 37 TYR HE2 H 6.854 0.030 1 345 37 37 TYR C C 178.024 0.300 1 346 37 37 TYR CA C 56.874 0.300 1 347 37 37 TYR CB C 43.916 0.300 1 348 37 37 TYR CD1 C 133.496 0.300 1 349 37 37 TYR CD2 C 133.496 0.300 1 350 37 37 TYR CE1 C 118.460 0.300 1 351 37 37 TYR CE2 C 118.460 0.300 1 352 37 37 TYR N N 118.833 0.300 1 353 38 38 HIS H H 8.922 0.030 1 354 38 38 HIS HA H 4.791 0.030 1 355 38 38 HIS HB2 H 3.690 0.030 1 356 38 38 HIS HB3 H 3.690 0.030 1 357 38 38 HIS HD2 H 7.791 0.030 1 358 38 38 HIS HE1 H 7.316 0.030 1 359 38 38 HIS C C 176.379 0.300 1 360 38 38 HIS CA C 58.173 0.300 1 361 38 38 HIS CB C 30.364 0.300 1 362 38 38 HIS CD2 C 120.184 0.300 1 363 38 38 HIS CE1 C 138.627 0.300 1 364 38 38 HIS N N 119.808 0.300 1 365 39 39 PRO HA H 4.287 0.030 1 366 39 39 PRO HB2 H 2.462 0.030 2 367 39 39 PRO HB3 H 2.057 0.030 2 368 39 39 PRO HD2 H 4.103 0.030 2 369 39 39 PRO HD3 H 4.250 0.030 2 370 39 39 PRO HG2 H 1.896 0.030 2 371 39 39 PRO HG3 H 2.280 0.030 2 372 39 39 PRO C C 179.070 0.300 1 373 39 39 PRO CA C 66.681 0.300 1 374 39 39 PRO CB C 31.796 0.300 1 375 39 39 PRO CD C 50.181 0.300 1 376 39 39 PRO CG C 28.154 0.300 1 377 40 40 ASP H H 8.599 0.030 1 378 40 40 ASP HA H 4.502 0.030 1 379 40 40 ASP HB2 H 2.635 0.030 2 380 40 40 ASP HB3 H 2.784 0.030 2 381 40 40 ASP C C 176.751 0.300 1 382 40 40 ASP CA C 55.773 0.300 1 383 40 40 ASP CB C 40.254 0.300 1 384 40 40 ASP N N 112.009 0.300 1 385 41 41 CYS H H 7.784 0.030 1 386 41 41 CYS HA H 4.498 0.030 1 387 41 41 CYS HB2 H 3.376 0.030 2 388 41 41 CYS HB3 H 3.531 0.030 2 389 41 41 CYS C C 175.293 0.300 1 390 41 41 CYS CA C 60.856 0.300 1 391 41 41 CYS CB C 31.869 0.300 1 392 41 41 CYS N N 114.986 0.300 1 393 42 42 PHE H H 7.414 0.030 1 394 42 42 PHE HA H 4.547 0.030 1 395 42 42 PHE HB2 H 3.182 0.030 2 396 42 42 PHE HB3 H 2.373 0.030 2 397 42 42 PHE HD1 H 6.541 0.030 1 398 42 42 PHE HD2 H 6.541 0.030 1 399 42 42 PHE HE1 H 6.920 0.030 1 400 42 42 PHE HE2 H 6.920 0.030 1 401 42 42 PHE HZ H 6.745 0.030 1 402 42 42 PHE C C 172.393 0.300 1 403 42 42 PHE CA C 56.586 0.300 1 404 42 42 PHE CB C 37.209 0.300 1 405 42 42 PHE CD1 C 131.339 0.300 1 406 42 42 PHE CD2 C 131.339 0.300 1 407 42 42 PHE CE1 C 131.303 0.300 1 408 42 42 PHE CE2 C 131.303 0.300 1 409 42 42 PHE CZ C 129.453 0.300 1 410 42 42 PHE N N 124.816 0.300 1 411 43 43 VAL H H 7.133 0.030 1 412 43 43 VAL HA H 3.741 0.030 1 413 43 43 VAL HB H 1.224 0.030 1 414 43 43 VAL HG1 H 0.462 0.030 1 415 43 43 VAL HG2 H 0.403 0.030 1 416 43 43 VAL C C 173.592 0.300 1 417 43 43 VAL CA C 57.722 0.300 1 418 43 43 VAL CB C 35.623 0.300 1 419 43 43 VAL CG1 C 21.046 0.300 2 420 43 43 VAL CG2 C 17.211 0.300 2 421 43 43 VAL N N 114.268 0.300 1 422 44 44 CYS H H 7.150 0.030 1 423 44 44 CYS HA H 4.072 0.030 1 424 44 44 CYS HB2 H 3.294 0.030 2 425 44 44 CYS HB3 H 2.409 0.030 2 426 44 44 CYS C C 177.237 0.300 1 427 44 44 CYS CA C 59.685 0.300 1 428 44 44 CYS CB C 31.114 0.300 1 429 44 44 CYS N N 122.880 0.300 1 430 45 45 ALA H H 9.047 0.030 1 431 45 45 ALA HA H 4.162 0.030 1 432 45 45 ALA HB H 1.592 0.030 1 433 45 45 ALA C C 178.030 0.300 1 434 45 45 ALA CA C 54.707 0.300 1 435 45 45 ALA CB C 20.017 0.300 1 436 45 45 ALA N N 131.067 0.300 1 437 46 46 VAL H H 9.195 0.030 1 438 46 46 VAL HA H 4.020 0.030 1 439 46 46 VAL HB H 2.632 0.030 1 440 46 46 VAL HG1 H 0.988 0.030 1 441 46 46 VAL HG2 H 2.052 0.030 1 442 46 46 VAL C C 177.036 0.300 1 443 46 46 VAL CA C 65.230 0.300 1 444 46 46 VAL CB C 32.075 0.300 1 445 46 46 VAL CG1 C 21.709 0.300 2 446 46 46 VAL CG2 C 17.088 0.300 2 447 46 46 VAL N N 120.368 0.300 1 448 47 47 CYS H H 8.265 0.030 1 449 47 47 CYS HA H 4.566 0.030 1 450 47 47 CYS HB2 H 3.119 0.030 2 451 47 47 CYS HB3 H 2.704 0.030 2 452 47 47 CYS C C 175.778 0.300 1 453 47 47 CYS CA C 59.787 0.300 1 454 47 47 CYS CB C 31.142 0.300 1 455 47 47 CYS N N 119.243 0.300 1 456 48 48 ARG H H 7.516 0.030 1 457 48 48 ARG HA H 4.101 0.030 1 458 48 48 ARG HB2 H 2.087 0.030 2 459 48 48 ARG HB3 H 2.002 0.030 2 460 48 48 ARG HD2 H 3.106 0.030 1 461 48 48 ARG HD3 H 3.106 0.030 1 462 48 48 ARG HG2 H 1.563 0.030 2 463 48 48 ARG HG3 H 1.419 0.030 2 464 48 48 ARG C C 174.707 0.300 1 465 48 48 ARG CA C 56.208 0.300 1 466 48 48 ARG CB C 25.533 0.300 1 467 48 48 ARG CD C 42.096 0.300 1 468 48 48 ARG CG C 26.182 0.300 1 469 48 48 ARG N N 114.486 0.300 1 470 49 49 LEU H H 7.713 0.030 1 471 49 49 LEU HA H 4.779 0.030 1 472 49 49 LEU HB2 H 1.300 0.030 2 473 49 49 LEU HB3 H 1.942 0.030 2 474 49 49 LEU HD1 H 0.937 0.030 1 475 49 49 LEU HD2 H 0.886 0.030 1 476 49 49 LEU HG H 1.675 0.030 1 477 49 49 LEU C C 175.393 0.300 1 478 49 49 LEU CA C 52.634 0.300 1 479 49 49 LEU CB C 41.528 0.300 1 480 49 49 LEU CD1 C 25.436 0.300 2 481 49 49 LEU CD2 C 22.605 0.300 2 482 49 49 LEU CG C 26.666 0.300 1 483 49 49 LEU N N 120.272 0.300 1 484 50 50 PRO HA H 4.283 0.030 1 485 50 50 PRO HB2 H 2.317 0.030 2 486 50 50 PRO HB3 H 1.775 0.030 2 487 50 50 PRO HD2 H 3.555 0.030 2 488 50 50 PRO HD3 H 3.803 0.030 2 489 50 50 PRO HG2 H 1.928 0.030 2 490 50 50 PRO HG3 H 1.987 0.030 2 491 50 50 PRO C C 176.362 0.300 1 492 50 50 PRO CA C 62.178 0.300 1 493 50 50 PRO CB C 32.185 0.300 1 494 50 50 PRO CD C 50.645 0.300 1 495 50 50 PRO CG C 27.466 0.300 1 496 51 51 PHE H H 7.791 0.030 1 497 51 51 PHE HA H 4.509 0.030 1 498 51 51 PHE HB2 H 2.888 0.030 2 499 51 51 PHE HB3 H 2.552 0.030 2 500 51 51 PHE HD1 H 6.571 0.030 1 501 51 51 PHE HD2 H 6.571 0.030 1 502 51 51 PHE HE1 H 6.232 0.030 1 503 51 51 PHE HE2 H 6.232 0.030 1 504 51 51 PHE HZ H 6.466 0.030 1 505 51 51 PHE C C 176.375 0.300 1 506 51 51 PHE CA C 56.337 0.300 1 507 51 51 PHE CB C 38.525 0.300 1 508 51 51 PHE CD1 C 131.857 0.300 1 509 51 51 PHE CD2 C 131.857 0.300 1 510 51 51 PHE CE1 C 130.029 0.300 1 511 51 51 PHE CE2 C 130.029 0.300 1 512 51 51 PHE CZ C 128.386 0.300 1 513 51 51 PHE N N 122.073 0.300 1 514 52 52 PRO HA H 4.756 0.030 1 515 52 52 PRO HB2 H 1.883 0.030 2 516 52 52 PRO HB3 H 2.387 0.030 2 517 52 52 PRO HD2 H 4.230 0.030 2 518 52 52 PRO HD3 H 3.790 0.030 2 519 52 52 PRO HG2 H 2.039 0.030 2 520 52 52 PRO HG3 H 2.154 0.030 2 521 52 52 PRO CA C 61.309 0.300 1 522 52 52 PRO CB C 31.030 0.300 1 523 52 52 PRO CD C 50.927 0.300 1 524 52 52 PRO CG C 27.861 0.300 1 525 53 53 PRO HA H 4.404 0.030 1 526 53 53 PRO HB2 H 1.941 0.030 2 527 53 53 PRO HB3 H 2.321 0.030 2 528 53 53 PRO HD2 H 3.682 0.030 2 529 53 53 PRO HD3 H 3.914 0.030 2 530 53 53 PRO HG2 H 2.039 0.030 2 531 53 53 PRO HG3 H 2.153 0.030 2 532 53 53 PRO CA C 64.026 0.300 1 533 53 53 PRO CB C 31.603 0.300 1 534 53 53 PRO CD C 50.529 0.300 1 535 53 53 PRO CG C 27.851 0.300 1 536 54 54 GLY HA2 H 4.162 0.030 2 537 54 54 GLY HA3 H 3.811 0.030 2 538 54 54 GLY C C 174.577 0.300 1 539 54 54 GLY CA C 45.459 0.300 1 540 55 55 ASP H H 7.617 0.030 1 541 55 55 ASP HA H 4.579 0.030 1 542 55 55 ASP HB2 H 2.548 0.030 2 543 55 55 ASP HB3 H 2.856 0.030 2 544 55 55 ASP C C 176.889 0.300 1 545 55 55 ASP CA C 54.765 0.300 1 546 55 55 ASP CB C 42.238 0.300 1 547 55 55 ASP N N 121.639 0.300 1 548 56 56 ARG H H 8.535 0.030 1 549 56 56 ARG HA H 4.315 0.030 1 550 56 56 ARG HB2 H 1.729 0.030 1 551 56 56 ARG HB3 H 1.729 0.030 1 552 56 56 ARG HD2 H 3.176 0.030 1 553 56 56 ARG HD3 H 3.176 0.030 1 554 56 56 ARG HG2 H 1.526 0.030 2 555 56 56 ARG HG3 H 1.655 0.030 2 556 56 56 ARG C C 175.355 0.300 1 557 56 56 ARG CA C 56.064 0.300 1 558 56 56 ARG CB C 30.214 0.300 1 559 56 56 ARG CD C 43.413 0.300 1 560 56 56 ARG CG C 27.245 0.300 1 561 56 56 ARG N N 123.149 0.300 1 562 57 57 VAL H H 7.972 0.030 1 563 57 57 VAL HA H 3.967 0.030 1 564 57 57 VAL HB H 1.628 0.030 1 565 57 57 VAL HG1 H 0.156 0.030 1 566 57 57 VAL HG2 H 0.247 0.030 1 567 57 57 VAL C C 175.849 0.300 1 568 57 57 VAL CA C 61.793 0.300 1 569 57 57 VAL CB C 32.919 0.300 1 570 57 57 VAL CG1 C 21.332 0.300 2 571 57 57 VAL CG2 C 20.158 0.300 2 572 57 57 VAL N N 124.163 0.300 1 573 58 58 THR H H 8.443 0.030 1 574 58 58 THR HA H 4.486 0.030 1 575 58 58 THR HB H 4.005 0.030 1 576 58 58 THR HG2 H 1.155 0.030 1 577 58 58 THR C C 172.851 0.300 1 578 58 58 THR CA C 61.468 0.300 1 579 58 58 THR CB C 70.726 0.300 1 580 58 58 THR CG2 C 21.438 0.300 1 581 58 58 THR N N 119.965 0.300 1 582 59 59 PHE H H 8.846 0.030 1 583 59 59 PHE HA H 5.331 0.030 1 584 59 59 PHE HB2 H 2.987 0.030 2 585 59 59 PHE HB3 H 3.106 0.030 2 586 59 59 PHE HD1 H 7.313 0.030 1 587 59 59 PHE HD2 H 7.313 0.030 1 588 59 59 PHE HE1 H 7.308 0.030 1 589 59 59 PHE HE2 H 7.308 0.030 1 590 59 59 PHE HZ H 7.182 0.030 1 591 59 59 PHE C C 175.787 0.300 1 592 59 59 PHE CA C 56.722 0.300 1 593 59 59 PHE CB C 41.410 0.300 1 594 59 59 PHE CD1 C 132.237 0.300 1 595 59 59 PHE CD2 C 132.237 0.300 1 596 59 59 PHE CE1 C 131.678 0.300 1 597 59 59 PHE CE2 C 131.678 0.300 1 598 59 59 PHE CZ C 129.834 0.300 1 599 59 59 PHE N N 124.431 0.300 1 600 60 60 ASN H H 8.503 0.030 1 601 60 60 ASN HA H 4.882 0.030 1 602 60 60 ASN HB2 H 2.945 0.030 2 603 60 60 ASN HB3 H 2.790 0.030 2 604 60 60 ASN HD21 H 7.315 0.030 2 605 60 60 ASN HD22 H 7.687 0.030 2 606 60 60 ASN C C 175.786 0.300 1 607 60 60 ASN CA C 52.067 0.300 1 608 60 60 ASN CB C 39.143 0.300 1 609 60 60 ASN N N 123.430 0.300 1 610 60 60 ASN ND2 N 112.602 0.300 1 611 61 61 GLY HA2 H 4.229 0.030 2 612 61 61 GLY HA3 H 3.468 0.030 2 613 61 61 GLY C C 176.817 0.300 1 614 61 61 GLY CA C 46.337 0.300 1 615 62 62 LYS H H 8.519 0.030 1 616 62 62 LYS HA H 4.540 0.030 1 617 62 62 LYS HB2 H 1.965 0.030 2 618 62 62 LYS HB3 H 1.773 0.030 2 619 62 62 LYS HD2 H 1.659 0.030 1 620 62 62 LYS HD3 H 1.659 0.030 1 621 62 62 LYS HG2 H 1.360 0.030 2 622 62 62 LYS HG3 H 1.425 0.030 2 623 62 62 LYS C C 175.831 0.300 1 624 62 62 LYS CA C 57.323 0.300 1 625 62 62 LYS CB C 34.014 0.300 1 626 62 62 LYS CD C 29.054 0.300 1 627 62 62 LYS CE C 42.074 0.300 1 628 62 62 LYS CG C 24.796 0.300 1 629 62 62 LYS N N 123.272 0.300 1 630 63 63 GLU H H 8.305 0.030 1 631 63 63 GLU HA H 4.751 0.030 1 632 63 63 GLU HB2 H 2.056 0.030 2 633 63 63 GLU HB3 H 2.155 0.030 2 634 63 63 GLU HG2 H 2.293 0.030 1 635 63 63 GLU HG3 H 2.293 0.030 1 636 63 63 GLU C C 174.870 0.300 1 637 63 63 GLU CA C 55.914 0.300 1 638 63 63 GLU CB C 32.238 0.300 1 639 63 63 GLU CG C 36.260 0.300 1 640 63 63 GLU N N 119.054 0.300 1 641 64 64 CYS H H 8.716 0.030 1 642 64 64 CYS HA H 5.149 0.030 1 643 64 64 CYS HB2 H 2.739 0.030 2 644 64 64 CYS HB3 H 2.468 0.030 2 645 64 64 CYS C C 173.790 0.300 1 646 64 64 CYS CA C 57.102 0.300 1 647 64 64 CYS CB C 29.820 0.300 1 648 64 64 CYS N N 120.036 0.300 1 649 65 65 MET H H 8.974 0.030 1 650 65 65 MET HA H 5.937 0.030 1 651 65 65 MET HB2 H 1.914 0.030 2 652 65 65 MET HB3 H 2.030 0.030 2 653 65 65 MET HE H 1.978 0.030 1 654 65 65 MET HG2 H 2.465 0.030 2 655 65 65 MET HG3 H 2.573 0.030 2 656 65 65 MET C C 175.250 0.300 1 657 65 65 MET CA C 54.297 0.300 1 658 65 65 MET CB C 37.463 0.300 1 659 65 65 MET CE C 17.262 0.300 1 660 65 65 MET CG C 32.817 0.300 1 661 65 65 MET N N 122.078 0.300 1 662 66 66 CYS H H 9.814 0.030 1 663 66 66 CYS HA H 4.913 0.030 1 664 66 66 CYS HB2 H 3.666 0.030 2 665 66 66 CYS HB3 H 2.923 0.030 2 666 66 66 CYS C C 176.216 0.300 1 667 66 66 CYS CA C 57.724 0.300 1 668 66 66 CYS CB C 31.431 0.300 1 669 66 66 CYS N N 125.485 0.300 1 670 67 67 GLN H H 9.392 0.030 1 671 67 67 GLN HA H 4.004 0.030 1 672 67 67 GLN HB2 H 2.165 0.030 2 673 67 67 GLN HB3 H 2.217 0.030 2 674 67 67 GLN HE21 H 6.887 0.030 2 675 67 67 GLN HE22 H 7.505 0.030 2 676 67 67 GLN HG2 H 2.469 0.030 1 677 67 67 GLN HG3 H 2.469 0.030 1 678 67 67 GLN C C 178.575 0.300 1 679 67 67 GLN CA C 59.344 0.300 1 680 67 67 GLN CB C 28.989 0.300 1 681 67 67 GLN CG C 34.453 0.300 1 682 67 67 GLN N N 120.705 0.300 1 683 67 67 GLN NE2 N 112.144 0.300 1 684 68 68 LYS H H 8.483 0.030 1 685 68 68 LYS HA H 4.135 0.030 1 686 68 68 LYS HB2 H 2.013 0.030 1 687 68 68 LYS HB3 H 2.013 0.030 1 688 68 68 LYS HD2 H 1.723 0.030 1 689 68 68 LYS HD3 H 1.723 0.030 1 690 68 68 LYS HE2 H 3.027 0.030 1 691 68 68 LYS HE3 H 3.027 0.030 1 692 68 68 LYS HG2 H 1.611 0.030 2 693 68 68 LYS HG3 H 1.456 0.030 2 694 68 68 LYS C C 179.325 0.300 1 695 68 68 LYS CA C 59.573 0.300 1 696 68 68 LYS CB C 32.668 0.300 1 697 68 68 LYS CD C 29.054 0.300 1 698 68 68 LYS CE C 42.156 0.300 1 699 68 68 LYS CG C 25.348 0.300 1 700 68 68 LYS N N 121.258 0.300 1 701 69 69 CYS H H 8.438 0.030 1 702 69 69 CYS HA H 4.034 0.030 1 703 69 69 CYS HB2 H 2.914 0.030 2 704 69 69 CYS HB3 H 2.775 0.030 2 705 69 69 CYS C C 176.189 0.300 1 706 69 69 CYS CA C 63.036 0.300 1 707 69 69 CYS CB C 30.295 0.300 1 708 69 69 CYS N N 121.867 0.300 1 709 70 70 SER H H 7.725 0.030 1 710 70 70 SER HA H 4.344 0.030 1 711 70 70 SER HB2 H 3.829 0.030 2 712 70 70 SER HB3 H 3.925 0.030 2 713 70 70 SER C C 173.873 0.300 1 714 70 70 SER CA C 59.413 0.300 1 715 70 70 SER CB C 64.002 0.300 1 716 70 70 SER N N 113.188 0.300 1 717 71 71 LEU H H 7.580 0.030 1 718 71 71 LEU HA H 4.562 0.030 1 719 71 71 LEU HB2 H 1.564 0.030 2 720 71 71 LEU HB3 H 1.693 0.030 2 721 71 71 LEU HD1 H 0.924 0.030 1 722 71 71 LEU HD2 H 0.956 0.030 1 723 71 71 LEU HG H 1.812 0.030 1 724 71 71 LEU C C 175.145 0.300 1 725 71 71 LEU CA C 53.827 0.300 1 726 71 71 LEU CB C 41.803 0.300 1 727 71 71 LEU CD1 C 23.599 0.300 2 728 71 71 LEU CD2 C 25.283 0.300 2 729 71 71 LEU CG C 26.708 0.300 1 730 71 71 LEU N N 124.504 0.300 1 731 72 72 PRO HA H 4.488 0.030 1 732 72 72 PRO HB2 H 2.294 0.030 2 733 72 72 PRO HB3 H 1.903 0.030 2 734 72 72 PRO HD2 H 3.629 0.030 2 735 72 72 PRO HD3 H 3.868 0.030 2 736 72 72 PRO HG2 H 2.034 0.030 1 737 72 72 PRO HG3 H 2.034 0.030 1 738 72 72 PRO C C 177.121 0.300 1 739 72 72 PRO CA C 63.257 0.300 1 740 72 72 PRO CB C 31.995 0.300 1 741 72 72 PRO CD C 50.572 0.300 1 742 72 72 PRO CG C 27.417 0.300 1 743 73 73 VAL H H 8.159 0.030 1 744 73 73 VAL HA H 4.124 0.030 1 745 73 73 VAL HB H 2.083 0.030 1 746 73 73 VAL HG1 H 0.977 0.030 1 747 73 73 VAL HG2 H 0.955 0.030 1 748 73 73 VAL C C 176.341 0.300 1 749 73 73 VAL CA C 62.416 0.300 1 750 73 73 VAL CB C 32.806 0.300 1 751 73 73 VAL CG1 C 20.642 0.300 2 752 73 73 VAL CG2 C 21.207 0.300 2 753 73 73 VAL N N 119.929 0.300 1 754 74 74 SER H H 8.358 0.030 1 755 74 74 SER HA H 4.526 0.030 1 756 74 74 SER HB2 H 3.932 0.030 2 757 74 74 SER HB3 H 3.856 0.030 2 758 74 74 SER C C 174.572 0.300 1 759 74 74 SER CA C 58.124 0.300 1 760 74 74 SER CB C 63.920 0.300 1 761 74 74 SER N N 119.378 0.300 1 762 75 75 VAL H H 8.242 0.030 1 763 75 75 VAL HA H 4.251 0.030 1 764 75 75 VAL HB H 2.148 0.030 1 765 75 75 VAL HG1 H 0.943 0.030 1 766 75 75 VAL HG2 H 0.943 0.030 1 767 75 75 VAL C C 176.176 0.300 1 768 75 75 VAL CA C 62.215 0.300 1 769 75 75 VAL CB C 32.892 0.300 1 770 75 75 VAL CG1 C 20.223 0.300 1 771 75 75 VAL CG2 C 20.223 0.300 1 772 75 75 VAL N N 121.867 0.300 1 stop_ save_