data_11123 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SANT domain of human SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily C member 1 ; _BMRB_accession_number 11123 _BMRB_flat_file_name bmr11123.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 Tochio N. . . 2 Koshiba S. . . 3 Satio K. . . 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" 400 "13C chemical shifts" 317 "15N chemical shifts" 74 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 SANT domain of human SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily C member 1 ; _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 Tochio N. . . 2 Koshiba S. . . 3 Satio K. . . 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 ; SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily C member 1 ; _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UNP residues 610-675, SANT 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 'UNP residues 610-675, SANT domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; GSSGSSGTLAKSKGASAGRE WTEQETLLLLEALEMYKDDW NKVSEHVGSRTQDECILHFL RLPIEDPYLENSDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 LEU 10 ALA 11 LYS 12 SER 13 LYS 14 GLY 15 ALA 16 SER 17 ALA 18 GLY 19 ARG 20 GLU 21 TRP 22 THR 23 GLU 24 GLN 25 GLU 26 THR 27 LEU 28 LEU 29 LEU 30 LEU 31 GLU 32 ALA 33 LEU 34 GLU 35 MET 36 TYR 37 LYS 38 ASP 39 ASP 40 TRP 41 ASN 42 LYS 43 VAL 44 SER 45 GLU 46 HIS 47 VAL 48 GLY 49 SER 50 ARG 51 THR 52 GLN 53 ASP 54 GLU 55 CYS 56 ILE 57 LEU 58 HIS 59 PHE 60 LEU 61 ARG 62 LEU 63 PRO 64 ILE 65 GLU 66 ASP 67 PRO 68 TYR 69 LEU 70 GLU 71 ASN 72 SER 73 ASP 74 SER 75 GLY 76 PRO 77 SER 78 SER 79 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2YUS "Solution Structure Of The Sant Domain Of Human SwiSNF- Related Matrix-Associated Actin-Dependent Regulator Of Chromatin Subfami" 100.00 79 100.00 100.00 7.38e-49 GB KPP63280 "SWI/SNF complex subunit SMARCC1-like [Scleropages formosus]" 81.01 1002 98.44 100.00 7.20e-35 REF XP_012396604 "PREDICTED: SWI/SNF complex subunit SMARCC1-like [Sarcophilus harrisii]" 50.63 146 97.50 100.00 7.95e-21 REF XP_013803672 "PREDICTED: SWI/SNF complex subunit SMARCC1-like [Apteryx australis mantelli]" 50.63 464 97.50 100.00 5.42e-20 REF XP_013810017 "PREDICTED: SWI/SNF complex subunit SMARCC1-like, partial [Apteryx australis mantelli]" 50.63 137 97.50 100.00 6.15e-21 REF XP_013837081 "PREDICTED: SWI/SNF complex subunit SMARCC1-like [Sus scrofa]" 50.63 473 97.50 100.00 9.36e-20 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' 'E. coli' Escherichia coli . P050711-15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.0mM sample {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 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 3.5 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 0.9820 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_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 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 'UNP residues 610-675, SANT domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 4.052 0.030 2 2 7 7 GLY C C 174.488 0.300 1 3 7 7 GLY CA C 45.501 0.300 1 4 8 8 THR H H 8.084 0.030 1 5 8 8 THR HA H 4.321 0.030 1 6 8 8 THR HB H 4.226 0.030 1 7 8 8 THR HG2 H 1.222 0.030 1 8 8 8 THR C C 174.827 0.300 1 9 8 8 THR CA C 62.105 0.300 1 10 8 8 THR CB C 69.772 0.300 1 11 8 8 THR CG2 C 21.665 0.300 1 12 8 8 THR N N 114.191 0.300 1 13 9 9 LEU H H 8.254 0.030 1 14 9 9 LEU HA H 4.354 0.030 1 15 9 9 LEU HB2 H 1.671 0.030 2 16 9 9 LEU HD1 H 0.940 0.030 1 17 9 9 LEU HD2 H 0.890 0.030 1 18 9 9 LEU HG H 1.663 0.030 1 19 9 9 LEU C C 177.294 0.300 1 20 9 9 LEU CA C 55.417 0.300 1 21 9 9 LEU CB C 42.325 0.300 1 22 9 9 LEU CD1 C 24.880 0.300 2 23 9 9 LEU CD2 C 23.679 0.300 2 24 9 9 LEU CG C 27.140 0.300 1 25 9 9 LEU N N 124.664 0.300 1 26 10 10 ALA H H 8.244 0.030 1 27 10 10 ALA HA H 4.287 0.030 1 28 10 10 ALA HB H 1.404 0.030 1 29 10 10 ALA C C 177.903 0.300 1 30 10 10 ALA CA C 52.770 0.300 1 31 10 10 ALA CB C 19.150 0.300 1 32 10 10 ALA N N 124.736 0.300 1 33 11 11 LYS H H 8.229 0.030 1 34 11 11 LYS HA H 4.337 0.030 1 35 11 11 LYS HB2 H 1.887 0.030 2 36 11 11 LYS HB3 H 1.795 0.030 2 37 11 11 LYS HD2 H 1.704 0.030 2 38 11 11 LYS HE2 H 3.017 0.030 2 39 11 11 LYS HG2 H 1.469 0.030 2 40 11 11 LYS C C 176.831 0.300 1 41 11 11 LYS CA C 56.552 0.300 1 42 11 11 LYS CB C 32.990 0.300 1 43 11 11 LYS CD C 29.163 0.300 1 44 11 11 LYS CE C 42.193 0.300 1 45 11 11 LYS CG C 24.714 0.300 1 46 11 11 LYS N N 120.262 0.300 1 47 12 12 SER H H 8.253 0.030 1 48 12 12 SER N N 116.655 0.300 1 49 13 13 LYS HA H 4.339 0.030 1 50 13 13 LYS HB2 H 1.886 0.030 2 51 13 13 LYS HB3 H 1.795 0.030 2 52 13 13 LYS HD2 H 1.704 0.030 2 53 13 13 LYS HE2 H 3.018 0.030 2 54 13 13 LYS HG2 H 1.474 0.030 2 55 13 13 LYS C C 177.159 0.300 1 56 13 13 LYS CA C 56.611 0.300 1 57 13 13 LYS CB C 32.904 0.300 1 58 13 13 LYS CD C 29.081 0.300 1 59 13 13 LYS CE C 42.183 0.300 1 60 13 13 LYS CG C 24.796 0.300 1 61 14 14 GLY H H 8.396 0.030 1 62 14 14 GLY HA2 H 3.956 0.030 2 63 14 14 GLY C C 173.972 0.300 1 64 14 14 GLY CA C 45.211 0.300 1 65 14 14 GLY N N 109.773 0.300 1 66 15 15 ALA H H 8.215 0.030 1 67 15 15 ALA HA H 4.373 0.030 1 68 15 15 ALA HB H 1.431 0.030 1 69 15 15 ALA C C 178.068 0.300 1 70 15 15 ALA CA C 52.632 0.300 1 71 15 15 ALA CB C 19.450 0.300 1 72 15 15 ALA N N 123.885 0.300 1 73 16 16 SER H H 8.360 0.030 1 74 16 16 SER HA H 4.457 0.030 1 75 16 16 SER HB2 H 3.918 0.030 1 76 16 16 SER HB3 H 3.918 0.030 1 77 16 16 SER C C 174.388 0.300 1 78 16 16 SER CA C 58.425 0.300 1 79 16 16 SER CB C 63.929 0.300 1 80 16 16 SER N N 115.155 0.300 1 81 17 17 ALA H H 8.325 0.030 1 82 17 17 ALA HA H 4.381 0.030 1 83 17 17 ALA HB H 1.438 0.030 1 84 17 17 ALA C C 178.163 0.300 1 85 17 17 ALA CA C 52.760 0.300 1 86 17 17 ALA CB C 19.310 0.300 1 87 17 17 ALA N N 125.904 0.300 1 88 18 18 GLY H H 8.396 0.030 1 89 18 18 GLY HA2 H 3.994 0.030 1 90 18 18 GLY HA3 H 3.994 0.030 1 91 18 18 GLY C C 173.919 0.300 1 92 18 18 GLY CA C 45.214 0.300 1 93 18 18 GLY N N 108.259 0.300 1 94 19 19 ARG H H 8.319 0.030 1 95 19 19 ARG HA H 4.405 0.030 1 96 19 19 ARG HB2 H 1.852 0.030 2 97 19 19 ARG HB3 H 1.737 0.030 2 98 19 19 ARG HD2 H 3.280 0.030 2 99 19 19 ARG HD3 H 3.188 0.030 2 100 19 19 ARG HG2 H 1.633 0.030 1 101 19 19 ARG HG3 H 1.633 0.030 1 102 19 19 ARG C C 177.530 0.300 1 103 19 19 ARG CA C 55.904 0.300 1 104 19 19 ARG CB C 30.882 0.300 1 105 19 19 ARG CD C 43.256 0.300 1 106 19 19 ARG CG C 27.280 0.300 1 107 19 19 ARG N N 121.266 0.300 1 108 20 20 GLU H H 8.925 0.030 1 109 20 20 GLU HA H 4.338 0.030 1 110 20 20 GLU HB2 H 2.117 0.030 2 111 20 20 GLU HB3 H 2.028 0.030 2 112 20 20 GLU HG2 H 2.468 0.030 2 113 20 20 GLU HG3 H 2.432 0.030 2 114 20 20 GLU C C 177.293 0.300 1 115 20 20 GLU CA C 57.328 0.300 1 116 20 20 GLU CB C 29.881 0.300 1 117 20 20 GLU CG C 36.305 0.300 1 118 20 20 GLU N N 126.956 0.300 1 119 21 21 TRP H H 9.168 0.030 1 120 21 21 TRP HA H 4.384 0.030 1 121 21 21 TRP HB2 H 3.061 0.030 2 122 21 21 TRP HB3 H 2.773 0.030 2 123 21 21 TRP HD1 H 7.160 0.030 1 124 21 21 TRP HE1 H 10.096 0.030 1 125 21 21 TRP HE3 H 7.305 0.030 1 126 21 21 TRP HH2 H 7.438 0.030 1 127 21 21 TRP HZ2 H 7.004 0.030 1 128 21 21 TRP HZ3 H 7.034 0.030 1 129 21 21 TRP C C 178.434 0.300 1 130 21 21 TRP CA C 58.588 0.300 1 131 21 21 TRP CB C 28.048 0.300 1 132 21 21 TRP CD1 C 125.824 0.300 1 133 21 21 TRP CE3 C 121.990 0.300 1 134 21 21 TRP CH2 C 123.749 0.300 1 135 21 21 TRP CZ2 C 112.567 0.300 1 136 21 21 TRP CZ3 C 121.130 0.300 1 137 21 21 TRP N N 125.766 0.300 1 138 21 21 TRP NE1 N 129.317 0.300 1 139 22 22 THR H H 9.121 0.030 1 140 22 22 THR HA H 4.633 0.030 1 141 22 22 THR HB H 4.862 0.030 1 142 22 22 THR HG2 H 1.349 0.030 1 143 22 22 THR C C 175.907 0.300 1 144 22 22 THR CA C 60.295 0.300 1 145 22 22 THR CB C 71.460 0.300 1 146 22 22 THR CG2 C 21.912 0.300 1 147 22 22 THR N N 115.907 0.300 1 148 23 23 GLU H H 9.205 0.030 1 149 23 23 GLU HA H 4.216 0.030 1 150 23 23 GLU HB2 H 2.200 0.030 2 151 23 23 GLU HB3 H 2.134 0.030 2 152 23 23 GLU HG2 H 2.466 0.030 2 153 23 23 GLU HG3 H 2.367 0.030 2 154 23 23 GLU C C 178.940 0.300 1 155 23 23 GLU CA C 60.025 0.300 1 156 23 23 GLU CB C 29.581 0.300 1 157 23 23 GLU CG C 36.548 0.300 1 158 23 23 GLU N N 122.268 0.300 1 159 24 24 GLN H H 8.440 0.030 1 160 24 24 GLN HA H 4.160 0.030 1 161 24 24 GLN HB2 H 2.209 0.030 2 162 24 24 GLN HB3 H 2.064 0.030 2 163 24 24 GLN HE21 H 7.492 0.030 2 164 24 24 GLN HE22 H 7.005 0.030 2 165 24 24 GLN HG2 H 2.479 0.030 2 166 24 24 GLN HG3 H 2.541 0.030 2 167 24 24 GLN C C 178.733 0.300 1 168 24 24 GLN CA C 59.396 0.300 1 169 24 24 GLN CB C 28.267 0.300 1 170 24 24 GLN CG C 34.180 0.300 1 171 24 24 GLN N N 117.587 0.300 1 172 24 24 GLN NE2 N 112.325 0.300 1 173 25 25 GLU H H 8.030 0.030 1 174 25 25 GLU HA H 4.035 0.030 1 175 25 25 GLU HB2 H 2.463 0.030 2 176 25 25 GLU HB3 H 2.097 0.030 2 177 25 25 GLU HG2 H 1.838 0.030 2 178 25 25 GLU HG3 H 2.490 0.030 2 179 25 25 GLU C C 178.878 0.300 1 180 25 25 GLU CA C 60.505 0.300 1 181 25 25 GLU CB C 31.781 0.300 1 182 25 25 GLU CG C 37.940 0.300 1 183 25 25 GLU N N 119.625 0.300 1 184 26 26 THR H H 8.629 0.030 1 185 26 26 THR HA H 4.138 0.030 1 186 26 26 THR HB H 4.541 0.030 1 187 26 26 THR HG2 H 1.347 0.030 1 188 26 26 THR C C 175.875 0.300 1 189 26 26 THR CA C 68.211 0.300 1 190 26 26 THR CB C 68.665 0.300 1 191 26 26 THR CG2 C 22.694 0.300 1 192 26 26 THR N N 117.610 0.300 1 193 27 27 LEU H H 8.434 0.030 1 194 27 27 LEU HA H 4.180 0.030 1 195 27 27 LEU HB2 H 2.025 0.030 2 196 27 27 LEU HB3 H 1.697 0.030 2 197 27 27 LEU HD1 H 0.990 0.030 1 198 27 27 LEU HD2 H 0.971 0.030 1 199 27 27 LEU HG H 1.944 0.030 1 200 27 27 LEU C C 180.818 0.300 1 201 27 27 LEU CA C 58.889 0.300 1 202 27 27 LEU CB C 41.573 0.300 1 203 27 27 LEU CD1 C 25.538 0.300 2 204 27 27 LEU CD2 C 23.231 0.300 2 205 27 27 LEU CG C 27.017 0.300 1 206 27 27 LEU N N 121.576 0.300 1 207 28 28 LEU H H 8.209 0.030 1 208 28 28 LEU HA H 4.359 0.030 1 209 28 28 LEU HB2 H 2.420 0.030 2 210 28 28 LEU HB3 H 1.479 0.030 2 211 28 28 LEU HD1 H 1.081 0.030 1 212 28 28 LEU HD2 H 0.896 0.030 1 213 28 28 LEU HG H 1.960 0.030 1 214 28 28 LEU C C 179.298 0.300 1 215 28 28 LEU CA C 58.231 0.300 1 216 28 28 LEU CB C 43.229 0.300 1 217 28 28 LEU CD1 C 26.021 0.300 2 218 28 28 LEU CD2 C 23.160 0.300 2 219 28 28 LEU CG C 27.350 0.300 1 220 28 28 LEU N N 120.537 0.300 1 221 29 29 LEU H H 8.539 0.030 1 222 29 29 LEU HA H 4.116 0.030 1 223 29 29 LEU HB2 H 2.689 0.030 2 224 29 29 LEU HB3 H 2.064 0.030 2 225 29 29 LEU HD1 H 1.058 0.030 1 226 29 29 LEU HD2 H 1.269 0.030 1 227 29 29 LEU HG H 1.787 0.030 1 228 29 29 LEU C C 177.819 0.300 1 229 29 29 LEU CA C 58.781 0.300 1 230 29 29 LEU CB C 41.818 0.300 1 231 29 29 LEU CD1 C 27.390 0.300 2 232 29 29 LEU CD2 C 25.185 0.300 2 233 29 29 LEU CG C 27.582 0.300 1 234 29 29 LEU N N 122.529 0.300 1 235 30 30 LEU H H 8.410 0.030 1 236 30 30 LEU HA H 4.092 0.030 1 237 30 30 LEU HB2 H 2.022 0.030 2 238 30 30 LEU HB3 H 1.603 0.030 2 239 30 30 LEU HD1 H 0.992 0.030 1 240 30 30 LEU HD2 H 0.970 0.030 1 241 30 30 LEU HG H 2.040 0.030 1 242 30 30 LEU C C 180.671 0.300 1 243 30 30 LEU CA C 58.533 0.300 1 244 30 30 LEU CB C 41.202 0.300 1 245 30 30 LEU CD1 C 25.569 0.300 2 246 30 30 LEU CD2 C 22.408 0.300 2 247 30 30 LEU CG C 27.137 0.300 1 248 30 30 LEU N N 118.210 0.300 1 249 31 31 GLU H H 8.302 0.030 1 250 31 31 GLU HA H 4.104 0.030 1 251 31 31 GLU HB2 H 2.329 0.030 1 252 31 31 GLU HB3 H 2.329 0.030 1 253 31 31 GLU HG2 H 2.397 0.030 2 254 31 31 GLU HG3 H 2.264 0.030 2 255 31 31 GLU C C 178.702 0.300 1 256 31 31 GLU CA C 59.081 0.300 1 257 31 31 GLU CB C 30.723 0.300 1 258 31 31 GLU CG C 36.755 0.300 1 259 31 31 GLU N N 120.465 0.300 1 260 32 32 ALA H H 8.683 0.030 1 261 32 32 ALA HA H 3.681 0.030 1 262 32 32 ALA HB H 1.921 0.030 1 263 32 32 ALA C C 179.444 0.300 1 264 32 32 ALA CA C 54.426 0.300 1 265 32 32 ALA CB C 20.901 0.300 1 266 32 32 ALA N N 121.813 0.300 1 267 33 33 LEU H H 8.546 0.030 1 268 33 33 LEU HA H 3.860 0.030 1 269 33 33 LEU HB2 H 1.823 0.030 2 270 33 33 LEU HB3 H 1.285 0.030 2 271 33 33 LEU HD1 H 0.723 0.030 1 272 33 33 LEU HD2 H 0.353 0.030 1 273 33 33 LEU HG H 1.739 0.030 1 274 33 33 LEU C C 180.272 0.300 1 275 33 33 LEU CA C 57.328 0.300 1 276 33 33 LEU CB C 41.795 0.300 1 277 33 33 LEU CD1 C 26.760 0.300 2 278 33 33 LEU CD2 C 22.936 0.300 2 279 33 33 LEU CG C 27.054 0.300 1 280 33 33 LEU N N 119.060 0.300 1 281 34 34 GLU H H 7.258 0.030 1 282 34 34 GLU HA H 3.994 0.030 1 283 34 34 GLU HB2 H 2.100 0.030 1 284 34 34 GLU HB3 H 2.100 0.030 1 285 34 34 GLU HG2 H 2.340 0.030 2 286 34 34 GLU HG3 H 2.256 0.030 2 287 34 34 GLU C C 178.012 0.300 1 288 34 34 GLU CA C 58.701 0.300 1 289 34 34 GLU CB C 29.417 0.300 1 290 34 34 GLU CG C 35.974 0.300 1 291 34 34 GLU N N 118.624 0.300 1 292 35 35 MET H H 7.317 0.030 1 293 35 35 MET HA H 3.864 0.030 1 294 35 35 MET HB2 H 1.130 0.030 2 295 35 35 MET HB3 H 0.933 0.030 2 296 35 35 MET HE H 1.734 0.030 1 297 35 35 MET HG2 H 2.193 0.030 2 298 35 35 MET HG3 H 1.977 0.030 2 299 35 35 MET C C 177.957 0.300 1 300 35 35 MET CA C 58.369 0.300 1 301 35 35 MET CB C 34.156 0.300 1 302 35 35 MET CE C 16.247 0.300 1 303 35 35 MET CG C 31.277 0.300 1 304 35 35 MET N N 115.888 0.300 1 305 36 36 TYR H H 8.565 0.030 1 306 36 36 TYR HA H 4.831 0.030 1 307 36 36 TYR HB2 H 3.179 0.030 2 308 36 36 TYR HB3 H 2.535 0.030 2 309 36 36 TYR HD1 H 6.947 0.030 1 310 36 36 TYR HD2 H 6.947 0.030 1 311 36 36 TYR HE1 H 6.657 0.030 1 312 36 36 TYR HE2 H 6.657 0.030 1 313 36 36 TYR C C 175.926 0.300 1 314 36 36 TYR CA C 56.445 0.300 1 315 36 36 TYR CB C 39.409 0.300 1 316 36 36 TYR CD1 C 132.987 0.300 1 317 36 36 TYR CD2 C 132.987 0.300 1 318 36 36 TYR CE1 C 117.978 0.300 1 319 36 36 TYR CE2 C 117.978 0.300 1 320 36 36 TYR N N 116.165 0.300 1 321 37 37 LYS H H 7.791 0.030 1 322 37 37 LYS HA H 3.739 0.030 1 323 37 37 LYS HB2 H 1.916 0.030 2 324 37 37 LYS HB3 H 1.707 0.030 2 325 37 37 LYS HD2 H 1.624 0.030 2 326 37 37 LYS HD3 H 1.607 0.030 2 327 37 37 LYS HE2 H 2.966 0.030 1 328 37 37 LYS HE3 H 2.966 0.030 1 329 37 37 LYS HG2 H 1.327 0.030 2 330 37 37 LYS HG3 H 1.284 0.030 2 331 37 37 LYS C C 173.670 0.300 1 332 37 37 LYS CA C 58.219 0.300 1 333 37 37 LYS CB C 30.149 0.300 1 334 37 37 LYS CD C 28.841 0.300 1 335 37 37 LYS CE C 42.422 0.300 1 336 37 37 LYS CG C 25.050 0.300 1 337 37 37 LYS N N 119.556 0.300 1 338 38 38 ASP H H 7.904 0.030 1 339 38 38 ASP HA H 3.572 0.030 1 340 38 38 ASP HB2 H 2.801 0.030 2 341 38 38 ASP HB3 H 2.427 0.030 2 342 38 38 ASP C C 175.110 0.300 1 343 38 38 ASP CA C 52.906 0.300 1 344 38 38 ASP CB C 39.368 0.300 1 345 38 38 ASP N N 117.174 0.300 1 346 39 39 ASP H H 7.235 0.030 1 347 39 39 ASP HA H 4.737 0.030 1 348 39 39 ASP HB2 H 2.915 0.030 2 349 39 39 ASP HB3 H 2.439 0.030 2 350 39 39 ASP C C 176.072 0.300 1 351 39 39 ASP CA C 52.036 0.300 1 352 39 39 ASP CB C 39.533 0.300 1 353 39 39 ASP N N 118.400 0.300 1 354 40 40 TRP H H 7.863 0.030 1 355 40 40 TRP HA H 4.245 0.030 1 356 40 40 TRP HB2 H 3.322 0.030 2 357 40 40 TRP HB3 H 3.155 0.030 2 358 40 40 TRP HD1 H 7.391 0.030 1 359 40 40 TRP HE1 H 10.257 0.030 1 360 40 40 TRP HE3 H 7.251 0.030 1 361 40 40 TRP HH2 H 6.467 0.030 1 362 40 40 TRP HZ2 H 7.152 0.030 1 363 40 40 TRP HZ3 H 6.666 0.030 1 364 40 40 TRP C C 178.446 0.300 1 365 40 40 TRP CA C 60.084 0.300 1 366 40 40 TRP CB C 29.190 0.300 1 367 40 40 TRP CD1 C 128.171 0.300 1 368 40 40 TRP CE3 C 118.791 0.300 1 369 40 40 TRP CH2 C 124.483 0.300 1 370 40 40 TRP CZ2 C 114.243 0.300 1 371 40 40 TRP CZ3 C 120.783 0.300 1 372 40 40 TRP N N 123.831 0.300 1 373 40 40 TRP NE1 N 128.789 0.300 1 374 41 41 ASN H H 8.424 0.030 1 375 41 41 ASN HA H 4.532 0.030 1 376 41 41 ASN HB2 H 2.999 0.030 2 377 41 41 ASN HB3 H 2.927 0.030 2 378 41 41 ASN HD21 H 6.997 0.030 2 379 41 41 ASN HD22 H 7.870 0.030 2 380 41 41 ASN C C 177.439 0.300 1 381 41 41 ASN CA C 57.178 0.300 1 382 41 41 ASN CB C 38.468 0.300 1 383 41 41 ASN N N 118.990 0.300 1 384 41 41 ASN ND2 N 114.285 0.300 1 385 42 42 LYS H H 7.299 0.030 1 386 42 42 LYS HA H 3.811 0.030 1 387 42 42 LYS HB2 H 1.201 0.030 2 388 42 42 LYS HB3 H 0.435 0.030 2 389 42 42 LYS HD2 H 1.306 0.030 1 390 42 42 LYS HD3 H 1.306 0.030 1 391 42 42 LYS HE2 H 2.820 0.030 1 392 42 42 LYS HE3 H 2.820 0.030 1 393 42 42 LYS HG2 H 1.033 0.030 2 394 42 42 LYS HG3 H 1.164 0.030 2 395 42 42 LYS C C 179.545 0.300 1 396 42 42 LYS CA C 58.602 0.300 1 397 42 42 LYS CB C 30.975 0.300 1 398 42 42 LYS CD C 28.705 0.300 1 399 42 42 LYS CE C 42.035 0.300 1 400 42 42 LYS CG C 25.227 0.300 1 401 42 42 LYS N N 120.483 0.300 1 402 43 43 VAL H H 8.274 0.030 1 403 43 43 VAL HA H 3.726 0.030 1 404 43 43 VAL HB H 2.253 0.030 1 405 43 43 VAL HG1 H 1.223 0.030 1 406 43 43 VAL HG2 H 0.676 0.030 1 407 43 43 VAL C C 177.324 0.300 1 408 43 43 VAL CA C 66.684 0.300 1 409 43 43 VAL CB C 32.209 0.300 1 410 43 43 VAL CG1 C 21.641 0.300 2 411 43 43 VAL CG2 C 21.917 0.300 2 412 43 43 VAL N N 119.814 0.300 1 413 44 44 SER H H 8.233 0.030 1 414 44 44 SER HA H 4.315 0.030 1 415 44 44 SER HB2 H 4.090 0.030 1 416 44 44 SER HB3 H 4.090 0.030 1 417 44 44 SER C C 177.429 0.300 1 418 44 44 SER CA C 61.641 0.300 1 419 44 44 SER CB C 63.283 0.300 1 420 44 44 SER N N 112.561 0.300 1 421 45 45 GLU H H 7.942 0.030 1 422 45 45 GLU HA H 4.094 0.030 1 423 45 45 GLU HB2 H 2.124 0.030 1 424 45 45 GLU HB3 H 2.124 0.030 1 425 45 45 GLU HG2 H 2.246 0.030 2 426 45 45 GLU HG3 H 2.462 0.030 2 427 45 45 GLU C C 178.052 0.300 1 428 45 45 GLU CA C 59.232 0.300 1 429 45 45 GLU CB C 29.936 0.300 1 430 45 45 GLU CG C 36.580 0.300 1 431 45 45 GLU N N 121.687 0.300 1 432 46 46 HIS H H 8.074 0.030 1 433 46 46 HIS HA H 4.265 0.030 1 434 46 46 HIS HB2 H 3.527 0.030 2 435 46 46 HIS HB3 H 3.375 0.030 2 436 46 46 HIS HD2 H 7.409 0.030 1 437 46 46 HIS HE1 H 7.933 0.030 1 438 46 46 HIS C C 176.741 0.300 1 439 46 46 HIS CA C 59.981 0.300 1 440 46 46 HIS CB C 32.160 0.300 1 441 46 46 HIS CD2 C 118.341 0.300 1 442 46 46 HIS CE1 C 139.144 0.300 1 443 46 46 HIS N N 119.651 0.300 1 444 47 47 VAL H H 8.184 0.030 1 445 47 47 VAL HA H 3.823 0.030 1 446 47 47 VAL HB H 2.153 0.030 1 447 47 47 VAL HG1 H 1.005 0.030 1 448 47 47 VAL HG2 H 1.357 0.030 1 449 47 47 VAL C C 178.700 0.300 1 450 47 47 VAL CA C 65.787 0.300 1 451 47 47 VAL CB C 32.661 0.300 1 452 47 47 VAL CG1 C 22.324 0.300 2 453 47 47 VAL CG2 C 22.366 0.300 2 454 47 47 VAL N N 117.156 0.300 1 455 48 48 GLY H H 8.623 0.030 1 456 48 48 GLY HA2 H 4.275 0.030 2 457 48 48 GLY HA3 H 3.620 0.030 2 458 48 48 GLY C C 175.959 0.300 1 459 48 48 GLY CA C 47.135 0.300 1 460 48 48 GLY N N 108.088 0.300 1 461 49 49 SER H H 7.595 0.030 1 462 49 49 SER HA H 4.440 0.030 1 463 49 49 SER HB2 H 4.120 0.030 2 464 49 49 SER HB3 H 3.564 0.030 2 465 49 49 SER C C 173.851 0.300 1 466 49 49 SER CA C 57.547 0.300 1 467 49 49 SER CB C 63.078 0.300 1 468 49 49 SER N N 111.758 0.300 1 469 50 50 ARG H H 6.753 0.030 1 470 50 50 ARG HA H 4.893 0.030 1 471 50 50 ARG HB2 H 1.537 0.030 2 472 50 50 ARG HB3 H 1.247 0.030 2 473 50 50 ARG HD2 H 2.970 0.030 2 474 50 50 ARG HD3 H 1.983 0.030 2 475 50 50 ARG HE H 6.248 0.030 1 476 50 50 ARG HG2 H -0.011 0.030 2 477 50 50 ARG HG3 H 0.650 0.030 2 478 50 50 ARG C C 175.931 0.300 1 479 50 50 ARG CA C 52.424 0.300 1 480 50 50 ARG CB C 35.474 0.300 1 481 50 50 ARG CD C 42.394 0.300 1 482 50 50 ARG CG C 23.900 0.300 1 483 50 50 ARG N N 118.678 0.300 1 484 50 50 ARG NE N 84.583 0.300 1 485 51 51 THR H H 9.363 0.030 1 486 51 51 THR HA H 4.458 0.030 1 487 51 51 THR HB H 4.860 0.030 1 488 51 51 THR HG2 H 1.400 0.030 1 489 51 51 THR C C 176.317 0.300 1 490 51 51 THR CA C 61.203 0.300 1 491 51 51 THR CB C 71.641 0.300 1 492 51 51 THR CG2 C 21.983 0.300 1 493 51 51 THR N N 113.999 0.300 1 494 52 52 GLN H H 9.853 0.030 1 495 52 52 GLN HA H 4.031 0.030 1 496 52 52 GLN HB2 H 2.279 0.030 2 497 52 52 GLN HB3 H 2.165 0.030 2 498 52 52 GLN HE21 H 7.659 0.030 2 499 52 52 GLN HE22 H 6.961 0.030 2 500 52 52 GLN HG2 H 2.570 0.030 1 501 52 52 GLN HG3 H 2.570 0.030 1 502 52 52 GLN C C 177.274 0.300 1 503 52 52 GLN CA C 61.817 0.300 1 504 52 52 GLN CB C 28.527 0.300 1 505 52 52 GLN CG C 34.025 0.300 1 506 52 52 GLN N N 121.954 0.300 1 507 52 52 GLN NE2 N 111.390 0.300 1 508 53 53 ASP H H 8.420 0.030 1 509 53 53 ASP HA H 4.289 0.030 1 510 53 53 ASP HB2 H 2.607 0.030 2 511 53 53 ASP HB3 H 2.539 0.030 2 512 53 53 ASP C C 178.779 0.300 1 513 53 53 ASP CA C 57.424 0.300 1 514 53 53 ASP CB C 40.519 0.300 1 515 53 53 ASP N N 116.614 0.300 1 516 54 54 GLU H H 7.741 0.030 1 517 54 54 GLU HA H 4.137 0.030 1 518 54 54 GLU HB2 H 2.625 0.030 2 519 54 54 GLU HB3 H 2.292 0.030 2 520 54 54 GLU HG2 H 2.713 0.030 2 521 54 54 GLU HG3 H 2.325 0.030 2 522 54 54 GLU C C 180.416 0.300 1 523 54 54 GLU CA C 60.226 0.300 1 524 54 54 GLU CB C 32.031 0.300 1 525 54 54 GLU CG C 38.781 0.300 1 526 54 54 GLU N N 117.741 0.300 1 527 55 55 CYS H H 8.522 0.030 1 528 55 55 CYS HA H 4.505 0.030 1 529 55 55 CYS HB2 H 3.704 0.030 2 530 55 55 CYS HB3 H 2.920 0.030 2 531 55 55 CYS C C 175.228 0.300 1 532 55 55 CYS CA C 65.144 0.300 1 533 55 55 CYS CB C 27.390 0.300 1 534 55 55 CYS N N 118.825 0.300 1 535 56 56 ILE H H 7.840 0.030 1 536 56 56 ILE HA H 2.752 0.030 1 537 56 56 ILE HB H 1.209 0.030 1 538 56 56 ILE HD1 H 0.306 0.030 1 539 56 56 ILE HG12 H 0.656 0.030 2 540 56 56 ILE HG13 H -1.117 0.030 2 541 56 56 ILE HG2 H 0.571 0.030 1 542 56 56 ILE C C 177.400 0.300 1 543 56 56 ILE CA C 65.392 0.300 1 544 56 56 ILE CB C 38.290 0.300 1 545 56 56 ILE CD1 C 13.797 0.300 1 546 56 56 ILE CG1 C 28.357 0.300 1 547 56 56 ILE CG2 C 16.589 0.300 1 548 56 56 ILE N N 120.470 0.300 1 549 57 57 LEU H H 7.593 0.030 1 550 57 57 LEU HA H 3.943 0.030 1 551 57 57 LEU HB2 H 1.795 0.030 2 552 57 57 LEU HB3 H 1.596 0.030 2 553 57 57 LEU HD1 H 0.904 0.030 1 554 57 57 LEU HD2 H 0.895 0.030 1 555 57 57 LEU HG H 1.748 0.030 1 556 57 57 LEU C C 179.279 0.300 1 557 57 57 LEU CA C 58.001 0.300 1 558 57 57 LEU CB C 42.159 0.300 1 559 57 57 LEU CD1 C 24.918 0.300 2 560 57 57 LEU CD2 C 23.826 0.300 2 561 57 57 LEU CG C 27.089 0.300 1 562 57 57 LEU N N 117.372 0.300 1 563 58 58 HIS H H 7.960 0.030 1 564 58 58 HIS HA H 4.139 0.030 1 565 58 58 HIS HB2 H 2.515 0.030 2 566 58 58 HIS HB3 H 2.333 0.030 2 567 58 58 HIS HD2 H 5.434 0.030 1 568 58 58 HIS HE1 H 7.598 0.030 1 569 58 58 HIS C C 177.517 0.300 1 570 58 58 HIS CA C 58.889 0.300 1 571 58 58 HIS CB C 30.504 0.300 1 572 58 58 HIS CD2 C 117.580 0.300 1 573 58 58 HIS CE1 C 137.747 0.300 1 574 58 58 HIS N N 117.428 0.300 1 575 59 59 PHE H H 8.240 0.030 1 576 59 59 PHE HA H 4.075 0.030 1 577 59 59 PHE HB2 H 3.434 0.030 2 578 59 59 PHE HB3 H 3.381 0.030 2 579 59 59 PHE HD1 H 7.253 0.030 1 580 59 59 PHE HD2 H 7.253 0.030 1 581 59 59 PHE HE1 H 7.443 0.030 1 582 59 59 PHE HE2 H 7.443 0.030 1 583 59 59 PHE HZ H 7.372 0.030 1 584 59 59 PHE C C 177.567 0.300 1 585 59 59 PHE CA C 60.682 0.300 1 586 59 59 PHE CB C 39.817 0.300 1 587 59 59 PHE CD1 C 132.202 0.300 1 588 59 59 PHE CD2 C 132.202 0.300 1 589 59 59 PHE CE1 C 131.626 0.300 1 590 59 59 PHE CE2 C 131.626 0.300 1 591 59 59 PHE CZ C 130.313 0.300 1 592 59 59 PHE N N 118.132 0.300 1 593 60 60 LEU H H 7.950 0.030 1 594 60 60 LEU HA H 3.802 0.030 1 595 60 60 LEU HB2 H 1.829 0.030 2 596 60 60 LEU HB3 H 1.464 0.030 2 597 60 60 LEU HD1 H 0.878 0.030 1 598 60 60 LEU HD2 H 0.908 0.030 1 599 60 60 LEU HG H 2.023 0.030 1 600 60 60 LEU C C 178.195 0.300 1 601 60 60 LEU CA C 56.590 0.300 1 602 60 60 LEU CB C 42.044 0.300 1 603 60 60 LEU CD1 C 25.816 0.300 2 604 60 60 LEU CD2 C 22.571 0.300 2 605 60 60 LEU CG C 26.544 0.300 1 606 60 60 LEU N N 117.019 0.300 1 607 61 61 ARG H H 7.366 0.030 1 608 61 61 ARG HA H 4.247 0.030 1 609 61 61 ARG HB2 H 1.839 0.030 2 610 61 61 ARG HB3 H 1.723 0.030 2 611 61 61 ARG HD2 H 3.116 0.030 1 612 61 61 ARG HD3 H 3.116 0.030 1 613 61 61 ARG HG2 H 1.656 0.030 1 614 61 61 ARG HG3 H 1.656 0.030 1 615 61 61 ARG C C 176.390 0.300 1 616 61 61 ARG CA C 55.690 0.300 1 617 61 61 ARG CB C 30.489 0.300 1 618 61 61 ARG CD C 43.626 0.300 1 619 61 61 ARG CG C 27.185 0.300 1 620 61 61 ARG N N 116.728 0.300 1 621 62 62 LEU H H 7.258 0.030 1 622 62 62 LEU HA H 4.195 0.030 1 623 62 62 LEU HB2 H 1.565 0.030 2 624 62 62 LEU HB3 H 1.268 0.030 2 625 62 62 LEU HD1 H 0.772 0.030 1 626 62 62 LEU HD2 H 0.595 0.030 1 627 62 62 LEU HG H 1.634 0.030 1 628 62 62 LEU C C 175.534 0.300 1 629 62 62 LEU CA C 54.156 0.300 1 630 62 62 LEU CB C 40.883 0.300 1 631 62 62 LEU CD1 C 25.830 0.300 2 632 62 62 LEU CD2 C 22.550 0.300 2 633 62 62 LEU CG C 25.865 0.300 1 634 62 62 LEU N N 123.408 0.300 1 635 63 63 PRO HA H 4.442 0.030 1 636 63 63 PRO HB2 H 2.161 0.030 2 637 63 63 PRO HB3 H 1.911 0.030 2 638 63 63 PRO HD2 H 3.727 0.030 2 639 63 63 PRO HD3 H 3.479 0.030 2 640 63 63 PRO HG2 H 1.984 0.030 1 641 63 63 PRO HG3 H 1.984 0.030 1 642 63 63 PRO C C 176.553 0.300 1 643 63 63 PRO CA C 62.983 0.300 1 644 63 63 PRO CB C 31.266 0.300 1 645 63 63 PRO CD C 50.347 0.300 1 646 63 63 PRO CG C 27.431 0.300 1 647 64 64 ILE H H 8.002 0.030 1 648 64 64 ILE HA H 4.130 0.030 1 649 64 64 ILE HB H 1.814 0.030 1 650 64 64 ILE HD1 H 0.844 0.030 1 651 64 64 ILE HG12 H 1.410 0.030 2 652 64 64 ILE HG13 H 1.123 0.030 2 653 64 64 ILE HG2 H 0.890 0.030 1 654 64 64 ILE C C 176.358 0.300 1 655 64 64 ILE CA C 60.901 0.300 1 656 64 64 ILE CB C 39.054 0.300 1 657 64 64 ILE CD1 C 13.072 0.300 1 658 64 64 ILE CG1 C 27.186 0.300 1 659 64 64 ILE CG2 C 17.650 0.300 1 660 64 64 ILE N N 121.064 0.300 1 661 65 65 GLU H H 8.403 0.030 1 662 65 65 GLU HA H 4.289 0.030 1 663 65 65 GLU HB2 H 1.890 0.030 2 664 65 65 GLU HB3 H 2.008 0.030 2 665 65 65 GLU HG2 H 2.207 0.030 2 666 65 65 GLU C C 175.729 0.300 1 667 65 65 GLU CA C 56.298 0.300 1 668 65 65 GLU CB C 30.608 0.300 1 669 65 65 GLU CG C 36.250 0.300 1 670 65 65 GLU N N 124.859 0.300 1 671 66 66 ASP H H 8.353 0.030 1 672 66 66 ASP HA H 4.857 0.030 1 673 66 66 ASP HB2 H 2.773 0.030 2 674 66 66 ASP HB3 H 2.527 0.030 2 675 66 66 ASP C C 174.713 0.300 1 676 66 66 ASP CA C 52.243 0.300 1 677 66 66 ASP CB C 41.353 0.300 1 678 66 66 ASP N N 122.942 0.300 1 679 67 67 PRO HA H 4.383 0.030 1 680 67 67 PRO HB2 H 2.188 0.030 2 681 67 67 PRO HB3 H 1.691 0.030 2 682 67 67 PRO HD2 H 3.810 0.030 2 683 67 67 PRO HD3 H 3.758 0.030 2 684 67 67 PRO HG2 H 1.953 0.030 2 685 67 67 PRO HG3 H 1.757 0.030 2 686 67 67 PRO C C 176.860 0.300 1 687 67 67 PRO CA C 63.482 0.300 1 688 67 67 PRO CB C 32.028 0.300 1 689 67 67 PRO CD C 50.730 0.300 1 690 67 67 PRO CG C 26.877 0.300 1 691 68 68 TYR H H 8.306 0.030 1 692 68 68 TYR HA H 4.544 0.030 1 693 68 68 TYR HB2 H 3.108 0.030 2 694 68 68 TYR HB3 H 3.007 0.030 2 695 68 68 TYR HD1 H 7.175 0.030 1 696 68 68 TYR HD2 H 7.175 0.030 1 697 68 68 TYR HE1 H 6.852 0.030 1 698 68 68 TYR HE2 H 6.852 0.030 1 699 68 68 TYR C C 175.815 0.300 1 700 68 68 TYR CA C 58.009 0.300 1 701 68 68 TYR CB C 38.159 0.300 1 702 68 68 TYR CD1 C 133.141 0.300 1 703 68 68 TYR CD2 C 133.141 0.300 1 704 68 68 TYR CE1 C 118.247 0.300 1 705 68 68 TYR CE2 C 118.247 0.300 1 706 68 68 TYR N N 119.757 0.300 1 707 69 69 LEU H H 7.785 0.030 1 708 69 69 LEU HA H 4.292 0.030 1 709 69 69 LEU HB2 H 1.616 0.030 2 710 69 69 LEU HB3 H 1.572 0.030 2 711 69 69 LEU HD1 H 0.946 0.030 1 712 69 69 LEU HD2 H 0.881 0.030 1 713 69 69 LEU C C 176.933 0.300 1 714 69 69 LEU CA C 55.087 0.300 1 715 69 69 LEU CB C 42.529 0.300 1 716 69 69 LEU CD1 C 24.966 0.300 2 717 69 69 LEU CD2 C 23.739 0.300 2 718 69 69 LEU CG C 27.021 0.300 1 719 69 69 LEU N N 123.755 0.300 1 720 70 70 GLU H H 8.299 0.030 1 721 70 70 GLU HA H 4.224 0.030 1 722 70 70 GLU HB2 H 2.049 0.030 2 723 70 70 GLU HB3 H 1.953 0.030 2 724 70 70 GLU HG2 H 2.263 0.030 2 725 70 70 GLU HG3 H 2.398 0.030 2 726 70 70 GLU C C 176.230 0.300 1 727 70 70 GLU CA C 56.724 0.300 1 728 70 70 GLU CB C 30.361 0.300 1 729 70 70 GLU CG C 36.646 0.300 1 730 70 70 GLU N N 121.974 0.300 1 731 71 71 ASN H H 8.478 0.030 1 732 71 71 ASN HA H 4.765 0.030 1 733 71 71 ASN HB2 H 2.872 0.030 2 734 71 71 ASN HB3 H 2.789 0.030 2 735 71 71 ASN HD21 H 7.623 0.030 2 736 71 71 ASN HD22 H 6.925 0.030 2 737 71 71 ASN C C 175.341 0.300 1 738 71 71 ASN CA C 53.251 0.300 1 739 71 71 ASN CB C 39.170 0.300 1 740 71 71 ASN N N 119.930 0.300 1 741 71 71 ASN ND2 N 112.937 0.300 1 742 72 72 SER H H 8.367 0.030 1 743 72 72 SER HA H 4.462 0.030 1 744 72 72 SER HB2 H 3.888 0.030 2 745 72 72 SER C C 174.504 0.300 1 746 72 72 SER CA C 58.669 0.300 1 747 72 72 SER CB C 64.063 0.300 1 748 72 72 SER N N 116.661 0.300 1 749 73 73 ASP H H 8.449 0.030 1 750 73 73 ASP HA H 4.702 0.030 1 751 73 73 ASP HB2 H 2.765 0.030 2 752 73 73 ASP HB3 H 2.707 0.030 2 753 73 73 ASP C C 176.380 0.300 1 754 73 73 ASP CA C 54.548 0.300 1 755 73 73 ASP CB C 41.349 0.300 1 756 73 73 ASP N N 122.551 0.300 1 757 74 74 SER H H 8.253 0.030 1 758 74 74 SER C C 174.790 0.300 1 759 74 74 SER CA C 58.518 0.300 1 760 74 74 SER CB C 64.073 0.300 1 761 74 74 SER N N 116.051 0.300 1 762 75 75 GLY HA2 H 4.143 0.030 2 763 75 75 GLY CA C 44.775 0.300 1 764 76 76 PRO HA H 4.510 0.030 1 765 76 76 PRO HB2 H 2.320 0.030 2 766 76 76 PRO HB3 H 1.997 0.030 2 767 76 76 PRO HD2 H 3.657 0.030 2 768 76 76 PRO HG2 H 2.044 0.030 2 769 76 76 PRO C C 177.522 0.300 1 770 76 76 PRO CA C 63.297 0.300 1 771 76 76 PRO CB C 32.152 0.300 1 772 76 76 PRO CD C 49.855 0.300 1 773 76 76 PRO CG C 27.170 0.300 1 774 77 77 SER H H 8.544 0.030 1 775 77 77 SER HA H 4.530 0.030 1 776 77 77 SER HB2 H 3.915 0.030 2 777 77 77 SER C C 174.799 0.300 1 778 77 77 SER CA C 58.405 0.300 1 779 77 77 SER CB C 64.019 0.300 1 780 77 77 SER N N 116.499 0.300 1 781 78 78 SER H H 8.362 0.030 1 782 78 78 SER HA H 4.517 0.030 1 783 78 78 SER HB2 H 3.929 0.030 2 784 78 78 SER C C 174.035 0.300 1 785 78 78 SER CA C 58.425 0.300 1 786 78 78 SER CB C 64.224 0.300 1 787 78 78 SER N N 118.005 0.300 1 788 79 79 GLY H H 8.073 0.030 1 789 79 79 GLY C C 179.089 0.300 1 790 79 79 GLY CA C 46.225 0.300 1 791 79 79 GLY N N 116.920 0.300 1 stop_ save_