data_11278 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the CUE Domain in the Human Activating Signal Cointegrator 1 Complex Subunit 2 (ASCC2) ; _BMRB_accession_number 11278 _BMRB_flat_file_name bmr11278.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao C. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Harada T. . . 6 Watanabe S. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 396 "13C chemical shifts" 296 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the CUE Domain in the Human Activating Signal Cointegrator 1 Complex Subunit 2 (ASCC2) ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao C. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Harada T. . . 6 Watanabe S. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Activating signal cointegrator 1 complex subunit 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CUE 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 'CUE domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GSSGSSGMCGVELDSLISQV KDLLPDLGEGFILACLEYYH YDPEQVINNILEERLAPTLS QLDRNLDREMN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 CYS 10 GLY 11 VAL 12 GLU 13 LEU 14 ASP 15 SER 16 LEU 17 ILE 18 SER 19 GLN 20 VAL 21 LYS 22 ASP 23 LEU 24 LEU 25 PRO 26 ASP 27 LEU 28 GLY 29 GLU 30 GLY 31 PHE 32 ILE 33 LEU 34 ALA 35 CYS 36 LEU 37 GLU 38 TYR 39 TYR 40 HIS 41 TYR 42 ASP 43 PRO 44 GLU 45 GLN 46 VAL 47 ILE 48 ASN 49 ASN 50 ILE 51 LEU 52 GLU 53 GLU 54 ARG 55 LEU 56 ALA 57 PRO 58 THR 59 LEU 60 SER 61 GLN 62 LEU 63 ASP 64 ARG 65 ASN 66 LEU 67 ASP 68 ARG 69 GLU 70 MET 71 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2DI0 "Solution Structure Of The Cue Domain In The Human Activating Signal Cointegrator 1 Complex Subunit 2 (Ascc2)" 100.00 71 100.00 100.00 9.93e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P060116-03 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.24mM CUE domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.24 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9732 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.8 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 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296.0 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'CUE 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 4.415 0.030 1 2 6 6 SER HB2 H 3.865 0.030 1 3 6 6 SER HB3 H 3.865 0.030 1 4 6 6 SER C C 175.010 0.300 1 5 6 6 SER CA C 58.873 0.300 1 6 6 6 SER CB C 63.760 0.300 1 7 7 7 GLY H H 8.325 0.030 1 8 7 7 GLY HA2 H 3.903 0.030 1 9 7 7 GLY HA3 H 3.903 0.030 1 10 7 7 GLY C C 173.850 0.300 1 11 7 7 GLY CA C 45.322 0.300 1 12 7 7 GLY N N 110.391 0.300 1 13 8 8 MET H H 7.833 0.030 1 14 8 8 MET HA H 4.433 0.030 1 15 8 8 MET HB2 H 1.697 0.030 1 16 8 8 MET HB3 H 1.697 0.030 1 17 8 8 MET HE H 1.787 0.030 1 18 8 8 MET HG2 H 2.164 0.030 1 19 8 8 MET HG3 H 2.164 0.030 1 20 8 8 MET C C 175.449 0.300 1 21 8 8 MET CA C 55.131 0.300 1 22 8 8 MET CB C 33.095 0.300 1 23 8 8 MET CE C 16.726 0.300 1 24 8 8 MET CG C 31.857 0.300 1 25 8 8 MET N N 119.808 0.300 1 26 9 9 CYS H H 8.518 0.030 1 27 9 9 CYS HA H 4.548 0.030 1 28 9 9 CYS HB2 H 2.958 0.030 2 29 9 9 CYS HB3 H 2.963 0.030 2 30 9 9 CYS C C 175.004 0.300 1 31 9 9 CYS CA C 58.294 0.300 1 32 9 9 CYS CB C 28.904 0.300 1 33 9 9 CYS N N 120.257 0.300 1 34 10 10 GLY H H 8.681 0.030 1 35 10 10 GLY HA2 H 3.844 0.030 2 36 10 10 GLY HA3 H 4.015 0.030 2 37 10 10 GLY C C 174.931 0.300 1 38 10 10 GLY CA C 46.549 0.300 1 39 10 10 GLY N N 110.989 0.300 1 40 11 11 VAL H H 8.170 0.030 1 41 11 11 VAL HA H 4.005 0.030 1 42 11 11 VAL HB H 2.067 0.030 1 43 11 11 VAL HG1 H 0.934 0.030 1 44 11 11 VAL HG2 H 0.933 0.030 1 45 11 11 VAL C C 177.662 0.300 1 46 11 11 VAL CA C 64.105 0.300 1 47 11 11 VAL CB C 32.317 0.300 1 48 11 11 VAL CG1 C 21.066 0.300 2 49 11 11 VAL CG2 C 21.168 0.300 2 50 11 11 VAL N N 120.292 0.300 1 51 12 12 GLU H H 8.242 0.030 1 52 12 12 GLU HA H 4.179 0.030 1 53 12 12 GLU HB2 H 2.079 0.030 1 54 12 12 GLU HB3 H 2.079 0.030 1 55 12 12 GLU HG2 H 2.309 0.030 1 56 12 12 GLU HG3 H 2.309 0.030 1 57 12 12 GLU C C 178.569 0.300 1 58 12 12 GLU CA C 58.372 0.300 1 59 12 12 GLU CB C 29.249 0.300 1 60 12 12 GLU CG C 36.625 0.300 1 61 12 12 GLU N N 122.960 0.300 1 62 13 13 LEU H H 7.807 0.030 1 63 13 13 LEU HA H 4.055 0.030 1 64 13 13 LEU HB2 H 1.423 0.030 2 65 13 13 LEU HB3 H 1.727 0.030 2 66 13 13 LEU HD1 H 0.941 0.030 1 67 13 13 LEU HD2 H 1.004 0.030 1 68 13 13 LEU HG H 1.614 0.030 1 69 13 13 LEU C C 178.503 0.300 1 70 13 13 LEU CA C 57.978 0.300 1 71 13 13 LEU CB C 41.853 0.300 1 72 13 13 LEU CD1 C 24.950 0.300 2 73 13 13 LEU CD2 C 23.717 0.300 2 74 13 13 LEU CG C 27.288 0.300 1 75 13 13 LEU N N 121.988 0.300 1 76 14 14 ASP H H 8.471 0.030 1 77 14 14 ASP HA H 4.303 0.030 1 78 14 14 ASP HB2 H 2.747 0.030 2 79 14 14 ASP HB3 H 2.659 0.030 2 80 14 14 ASP C C 179.603 0.300 1 81 14 14 ASP CA C 57.954 0.300 1 82 14 14 ASP CB C 39.813 0.300 1 83 14 14 ASP N N 118.717 0.300 1 84 15 15 SER H H 7.946 0.030 1 85 15 15 SER HA H 4.307 0.030 1 86 15 15 SER HB2 H 4.023 0.030 1 87 15 15 SER HB3 H 4.023 0.030 1 88 15 15 SER C C 176.918 0.300 1 89 15 15 SER CA C 61.367 0.300 1 90 15 15 SER CB C 62.788 0.300 1 91 15 15 SER N N 115.362 0.300 1 92 16 16 LEU H H 7.702 0.030 1 93 16 16 LEU HA H 4.161 0.030 1 94 16 16 LEU HB2 H 1.370 0.030 2 95 16 16 LEU HB3 H 2.164 0.030 2 96 16 16 LEU HD1 H 1.118 0.030 1 97 16 16 LEU HD2 H 0.966 0.030 1 98 16 16 LEU HG H 2.012 0.030 1 99 16 16 LEU C C 178.651 0.300 1 100 16 16 LEU CA C 58.058 0.300 1 101 16 16 LEU CB C 43.058 0.300 1 102 16 16 LEU CD1 C 26.759 0.300 2 103 16 16 LEU CD2 C 22.987 0.300 2 104 16 16 LEU CG C 26.486 0.300 1 105 16 16 LEU N N 123.139 0.300 1 106 17 17 ILE H H 8.198 0.030 1 107 17 17 ILE HA H 3.519 0.030 1 108 17 17 ILE HB H 1.946 0.030 1 109 17 17 ILE HD1 H 0.904 0.030 1 110 17 17 ILE HG12 H 1.845 0.030 2 111 17 17 ILE HG13 H 0.717 0.030 2 112 17 17 ILE HG2 H 0.920 0.030 1 113 17 17 ILE C C 178.663 0.300 1 114 17 17 ILE CA C 65.616 0.300 1 115 17 17 ILE CB C 38.537 0.300 1 116 17 17 ILE CD1 C 14.797 0.300 1 117 17 17 ILE CG1 C 29.966 0.300 1 118 17 17 ILE CG2 C 17.057 0.300 1 119 17 17 ILE N N 117.915 0.300 1 120 18 18 SER H H 8.174 0.030 1 121 18 18 SER HA H 4.101 0.030 1 122 18 18 SER HB2 H 3.986 0.030 2 123 18 18 SER HB3 H 3.983 0.030 2 124 18 18 SER C C 175.589 0.300 1 125 18 18 SER CA C 61.990 0.300 1 126 18 18 SER CB C 62.716 0.300 1 127 18 18 SER N N 114.631 0.300 1 128 19 19 GLN H H 7.796 0.030 1 129 19 19 GLN HA H 4.088 0.030 1 130 19 19 GLN HB2 H 2.123 0.030 2 131 19 19 GLN HB3 H 2.290 0.030 2 132 19 19 GLN HE21 H 6.842 0.030 2 133 19 19 GLN HE22 H 7.235 0.030 2 134 19 19 GLN HG2 H 2.620 0.030 2 135 19 19 GLN HG3 H 2.301 0.030 2 136 19 19 GLN C C 178.572 0.300 1 137 19 19 GLN CA C 59.166 0.300 1 138 19 19 GLN CB C 28.634 0.300 1 139 19 19 GLN CG C 34.417 0.300 1 140 19 19 GLN N N 120.545 0.300 1 141 19 19 GLN NE2 N 110.065 0.300 1 142 20 20 VAL H H 7.330 0.030 1 143 20 20 VAL HA H 3.719 0.030 1 144 20 20 VAL HB H 2.267 0.030 1 145 20 20 VAL HG1 H 0.907 0.030 1 146 20 20 VAL HG2 H 1.023 0.030 1 147 20 20 VAL C C 177.489 0.300 1 148 20 20 VAL CA C 65.956 0.300 1 149 20 20 VAL CB C 31.664 0.300 1 150 20 20 VAL CG1 C 22.072 0.300 2 151 20 20 VAL CG2 C 21.250 0.300 2 152 20 20 VAL N N 117.000 0.300 1 153 21 21 LYS H H 8.537 0.030 1 154 21 21 LYS HA H 3.840 0.030 1 155 21 21 LYS HB2 H 1.701 0.030 2 156 21 21 LYS HB3 H 1.954 0.030 2 157 21 21 LYS HD2 H 1.621 0.030 2 158 21 21 LYS HD3 H 1.746 0.030 2 159 21 21 LYS HE2 H 3.086 0.030 1 160 21 21 LYS HE3 H 3.086 0.030 1 161 21 21 LYS HG2 H 1.555 0.030 1 162 21 21 LYS HG3 H 1.555 0.030 1 163 21 21 LYS C C 177.548 0.300 1 164 21 21 LYS CA C 58.376 0.300 1 165 21 21 LYS CB C 32.995 0.300 1 166 21 21 LYS CD C 29.658 0.300 1 167 21 21 LYS CE C 42.463 0.300 1 168 21 21 LYS CG C 25.279 0.300 1 169 21 21 LYS N N 120.947 0.300 1 170 22 22 ASP H H 8.170 0.030 1 171 22 22 ASP HA H 4.321 0.030 1 172 22 22 ASP HB2 H 2.519 0.030 2 173 22 22 ASP HB3 H 2.728 0.030 2 174 22 22 ASP C C 177.685 0.300 1 175 22 22 ASP CA C 56.898 0.300 1 176 22 22 ASP CB C 40.789 0.300 1 177 22 22 ASP N N 116.127 0.300 1 178 23 23 LEU H H 6.951 0.030 1 179 23 23 LEU HA H 4.425 0.030 1 180 23 23 LEU HB2 H 1.645 0.030 2 181 23 23 LEU HB3 H 1.746 0.030 2 182 23 23 LEU HD1 H 0.998 0.030 1 183 23 23 LEU HD2 H 0.941 0.030 1 184 23 23 LEU HG H 1.797 0.030 1 185 23 23 LEU C C 176.959 0.300 1 186 23 23 LEU CA C 55.523 0.300 1 187 23 23 LEU CB C 43.888 0.300 1 188 23 23 LEU CD1 C 24.985 0.300 2 189 23 23 LEU CD2 C 23.881 0.300 2 190 23 23 LEU CG C 28.006 0.300 1 191 23 23 LEU N N 117.782 0.300 1 192 24 24 LEU H H 8.015 0.030 1 193 24 24 LEU HA H 4.890 0.030 1 194 24 24 LEU HB2 H 1.753 0.030 2 195 24 24 LEU HB3 H 1.444 0.030 2 196 24 24 LEU HD1 H 0.966 0.030 1 197 24 24 LEU HD2 H 0.968 0.030 1 198 24 24 LEU HG H 1.522 0.030 1 199 24 24 LEU C C 173.552 0.300 1 200 24 24 LEU CA C 52.409 0.300 1 201 24 24 LEU CB C 41.982 0.300 1 202 24 24 LEU CD1 C 27.811 0.300 2 203 24 24 LEU CD2 C 23.876 0.300 2 204 24 24 LEU CG C 26.373 0.300 1 205 24 24 LEU N N 121.862 0.300 1 206 25 25 PRO HA H 4.646 0.030 1 207 25 25 PRO HB2 H 1.938 0.030 2 208 25 25 PRO HB3 H 2.377 0.030 2 209 25 25 PRO HD2 H 3.292 0.030 2 210 25 25 PRO HD3 H 3.644 0.030 2 211 25 25 PRO HG2 H 1.826 0.030 2 212 25 25 PRO HG3 H 1.947 0.030 2 213 25 25 PRO C C 178.423 0.300 1 214 25 25 PRO CA C 64.592 0.300 1 215 25 25 PRO CB C 32.295 0.300 1 216 25 25 PRO CD C 50.603 0.300 1 217 25 25 PRO CG C 27.025 0.300 1 218 26 26 ASP H H 8.580 0.030 1 219 26 26 ASP HA H 4.558 0.030 1 220 26 26 ASP HB2 H 2.529 0.030 2 221 26 26 ASP HB3 H 2.696 0.030 2 222 26 26 ASP C C 176.431 0.300 1 223 26 26 ASP CA C 54.472 0.300 1 224 26 26 ASP CB C 40.440 0.300 1 225 26 26 ASP N N 117.009 0.300 1 226 27 27 LEU H H 7.301 0.030 1 227 27 27 LEU HA H 4.340 0.030 1 228 27 27 LEU HB2 H 1.591 0.030 2 229 27 27 LEU HB3 H 1.976 0.030 2 230 27 27 LEU HD1 H 1.056 0.030 1 231 27 27 LEU HD2 H 0.836 0.030 1 232 27 27 LEU HG H 1.840 0.030 1 233 27 27 LEU C C 177.235 0.300 1 234 27 27 LEU CA C 54.304 0.300 1 235 27 27 LEU CB C 43.389 0.300 1 236 27 27 LEU CD1 C 28.085 0.300 2 237 27 27 LEU CD2 C 22.812 0.300 2 238 27 27 LEU CG C 26.486 0.300 1 239 27 27 LEU N N 118.797 0.300 1 240 28 28 GLY H H 9.570 0.030 1 241 28 28 GLY HA2 H 3.568 0.030 2 242 28 28 GLY HA3 H 4.154 0.030 2 243 28 28 GLY C C 176.361 0.300 1 244 28 28 GLY CA C 44.691 0.300 1 245 28 28 GLY N N 108.572 0.300 1 246 29 29 GLU H H 9.639 0.030 1 247 29 29 GLU HA H 3.786 0.030 1 248 29 29 GLU HB2 H 2.108 0.030 2 249 29 29 GLU HB3 H 2.038 0.030 2 250 29 29 GLU HG2 H 2.120 0.030 2 251 29 29 GLU HG3 H 2.560 0.030 2 252 29 29 GLU C C 178.685 0.300 1 253 29 29 GLU CA C 60.633 0.300 1 254 29 29 GLU CB C 30.642 0.300 1 255 29 29 GLU CG C 38.023 0.300 1 256 29 29 GLU N N 122.189 0.300 1 257 30 30 GLY H H 8.966 0.030 1 258 30 30 GLY HA2 H 3.497 0.030 2 259 30 30 GLY HA3 H 3.740 0.030 2 260 30 30 GLY C C 176.440 0.300 1 261 30 30 GLY CA C 46.716 0.300 1 262 30 30 GLY N N 106.707 0.300 1 263 31 31 PHE H H 7.292 0.030 1 264 31 31 PHE HA H 4.185 0.030 1 265 31 31 PHE HB2 H 3.227 0.030 2 266 31 31 PHE HB3 H 3.531 0.030 2 267 31 31 PHE HD1 H 7.051 0.030 1 268 31 31 PHE HD2 H 7.051 0.030 1 269 31 31 PHE HE1 H 7.292 0.030 1 270 31 31 PHE HE2 H 7.292 0.030 1 271 31 31 PHE HZ H 6.931 0.030 1 272 31 31 PHE C C 177.042 0.300 1 273 31 31 PHE CA C 61.688 0.300 1 274 31 31 PHE CB C 39.126 0.300 1 275 31 31 PHE CD1 C 131.800 0.300 1 276 31 31 PHE CD2 C 131.800 0.300 1 277 31 31 PHE CE1 C 131.632 0.300 1 278 31 31 PHE CE2 C 131.632 0.300 1 279 31 31 PHE CZ C 129.744 0.300 1 280 31 31 PHE N N 125.435 0.300 1 281 32 32 ILE H H 8.367 0.030 1 282 32 32 ILE HA H 3.115 0.030 1 283 32 32 ILE HB H 1.856 0.030 1 284 32 32 ILE HD1 H 0.870 0.030 1 285 32 32 ILE HG12 H 0.760 0.030 2 286 32 32 ILE HG13 H 2.078 0.030 2 287 32 32 ILE HG2 H 0.978 0.030 1 288 32 32 ILE C C 177.704 0.300 1 289 32 32 ILE CA C 66.947 0.300 1 290 32 32 ILE CB C 37.937 0.300 1 291 32 32 ILE CD1 C 14.118 0.300 1 292 32 32 ILE CG1 C 29.966 0.300 1 293 32 32 ILE CG2 C 18.619 0.300 1 294 32 32 ILE N N 119.192 0.300 1 295 33 33 LEU H H 8.383 0.030 1 296 33 33 LEU HA H 3.984 0.030 1 297 33 33 LEU HB2 H 1.575 0.030 2 298 33 33 LEU HB3 H 1.946 0.030 2 299 33 33 LEU HD1 H 0.988 0.030 1 300 33 33 LEU HD2 H 1.098 0.030 1 301 33 33 LEU HG H 1.645 0.030 1 302 33 33 LEU C C 177.230 0.300 1 303 33 33 LEU CA C 58.726 0.300 1 304 33 33 LEU CB C 41.707 0.300 1 305 33 33 LEU CD1 C 26.101 0.300 2 306 33 33 LEU CD2 C 24.477 0.300 2 307 33 33 LEU CG C 27.233 0.300 1 308 33 33 LEU N N 119.698 0.300 1 309 34 34 ALA H H 7.599 0.030 1 310 34 34 ALA HA H 4.024 0.030 1 311 34 34 ALA HB H 1.270 0.030 1 312 34 34 ALA C C 181.507 0.300 1 313 34 34 ALA CA C 55.210 0.300 1 314 34 34 ALA CB C 17.489 0.300 1 315 34 34 ALA N N 120.842 0.300 1 316 35 35 CYS H H 7.663 0.030 1 317 35 35 CYS HA H 4.007 0.030 1 318 35 35 CYS HB2 H 2.408 0.030 2 319 35 35 CYS HB3 H 3.070 0.030 2 320 35 35 CYS C C 176.730 0.300 1 321 35 35 CYS CA C 63.067 0.300 1 322 35 35 CYS CB C 27.997 0.300 1 323 35 35 CYS N N 115.513 0.300 1 324 36 36 LEU H H 8.816 0.030 1 325 36 36 LEU HA H 3.442 0.030 1 326 36 36 LEU HB2 H 1.048 0.030 2 327 36 36 LEU HB3 H 2.109 0.030 2 328 36 36 LEU HD1 H 0.781 0.030 1 329 36 36 LEU HD2 H 0.617 0.030 1 330 36 36 LEU HG H 1.629 0.030 1 331 36 36 LEU C C 177.787 0.300 1 332 36 36 LEU CA C 58.217 0.300 1 333 36 36 LEU CB C 42.269 0.300 1 334 36 36 LEU CD1 C 28.074 0.300 2 335 36 36 LEU CD2 C 23.306 0.300 2 336 36 36 LEU CG C 27.363 0.300 1 337 36 36 LEU N N 121.239 0.300 1 338 37 37 GLU H H 8.335 0.030 1 339 37 37 GLU HA H 2.928 0.030 1 340 37 37 GLU HB2 H 1.787 0.030 2 341 37 37 GLU HB3 H 1.936 0.030 2 342 37 37 GLU HG2 H 2.141 0.030 2 343 37 37 GLU HG3 H 2.376 0.030 2 344 37 37 GLU C C 178.659 0.300 1 345 37 37 GLU CA C 59.380 0.300 1 346 37 37 GLU CB C 29.244 0.300 1 347 37 37 GLU CG C 36.214 0.300 1 348 37 37 GLU N N 117.106 0.300 1 349 38 38 TYR H H 7.280 0.030 1 350 38 38 TYR HA H 3.660 0.030 1 351 38 38 TYR HB2 H 2.499 0.030 2 352 38 38 TYR HB3 H 2.776 0.030 2 353 38 38 TYR HD1 H 5.871 0.030 1 354 38 38 TYR HD2 H 5.871 0.030 1 355 38 38 TYR HE1 H 6.488 0.030 1 356 38 38 TYR HE2 H 6.488 0.030 1 357 38 38 TYR C C 176.877 0.300 1 358 38 38 TYR CA C 61.295 0.300 1 359 38 38 TYR CB C 39.897 0.300 1 360 38 38 TYR CD1 C 133.141 0.300 1 361 38 38 TYR CD2 C 133.141 0.300 1 362 38 38 TYR CE1 C 117.500 0.300 1 363 38 38 TYR CE2 C 117.500 0.300 1 364 38 38 TYR N N 119.593 0.300 1 365 39 39 TYR H H 7.715 0.030 1 366 39 39 TYR HA H 4.476 0.030 1 367 39 39 TYR HB2 H 2.417 0.030 2 368 39 39 TYR HB3 H 3.461 0.030 2 369 39 39 TYR HD1 H 7.243 0.030 1 370 39 39 TYR HD2 H 7.243 0.030 1 371 39 39 TYR HE1 H 6.763 0.030 1 372 39 39 TYR HE2 H 6.763 0.030 1 373 39 39 TYR C C 174.664 0.300 1 374 39 39 TYR CA C 57.822 0.300 1 375 39 39 TYR CB C 35.629 0.300 1 376 39 39 TYR CD1 C 133.365 0.300 1 377 39 39 TYR CD2 C 133.365 0.300 1 378 39 39 TYR CE1 C 118.115 0.300 1 379 39 39 TYR CE2 C 118.115 0.300 1 380 39 39 TYR N N 115.538 0.300 1 381 40 40 HIS H H 7.063 0.030 1 382 40 40 HIS HA H 4.015 0.030 1 383 40 40 HIS HB2 H 3.291 0.030 2 384 40 40 HIS HB3 H 3.345 0.030 2 385 40 40 HIS HD2 H 7.131 0.030 1 386 40 40 HIS HE1 H 8.171 0.030 1 387 40 40 HIS C C 174.075 0.300 1 388 40 40 HIS CA C 57.458 0.300 1 389 40 40 HIS CB C 26.555 0.300 1 390 40 40 HIS CD2 C 119.719 0.300 1 391 40 40 HIS CE1 C 137.111 0.300 1 392 40 40 HIS N N 112.438 0.300 1 393 41 41 TYR H H 9.121 0.030 1 394 41 41 TYR HA H 3.256 0.030 1 395 41 41 TYR HB2 H 3.080 0.030 2 396 41 41 TYR HB3 H 3.178 0.030 2 397 41 41 TYR HD1 H 6.729 0.030 1 398 41 41 TYR HD2 H 6.729 0.030 1 399 41 41 TYR HE1 H 6.727 0.030 1 400 41 41 TYR HE2 H 6.727 0.030 1 401 41 41 TYR C C 173.080 0.300 1 402 41 41 TYR CA C 60.169 0.300 1 403 41 41 TYR CB C 34.438 0.300 1 404 41 41 TYR CD1 C 132.750 0.300 1 405 41 41 TYR CD2 C 132.750 0.300 1 406 41 41 TYR CE1 C 117.947 0.300 1 407 41 41 TYR CE2 C 117.947 0.300 1 408 41 41 TYR N N 109.656 0.300 1 409 42 42 ASP H H 7.146 0.030 1 410 42 42 ASP HA H 5.193 0.030 1 411 42 42 ASP HB2 H 2.620 0.030 2 412 42 42 ASP HB3 H 3.243 0.030 2 413 42 42 ASP C C 175.529 0.300 1 414 42 42 ASP CA C 50.361 0.300 1 415 42 42 ASP CB C 41.932 0.300 1 416 42 42 ASP N N 116.718 0.300 1 417 43 43 PRO HA H 3.856 0.030 1 418 43 43 PRO HB2 H 1.933 0.030 2 419 43 43 PRO HB3 H 2.032 0.030 2 420 43 43 PRO HD2 H 4.167 0.030 2 421 43 43 PRO HD3 H 4.282 0.030 2 422 43 43 PRO HG2 H 2.229 0.030 2 423 43 43 PRO HG3 H 1.978 0.030 2 424 43 43 PRO C C 177.593 0.300 1 425 43 43 PRO CA C 64.955 0.300 1 426 43 43 PRO CB C 32.083 0.300 1 427 43 43 PRO CD C 51.096 0.300 1 428 43 43 PRO CG C 27.417 0.300 1 429 44 44 GLU H H 7.745 0.030 1 430 44 44 GLU HA H 3.920 0.030 1 431 44 44 GLU HB2 H 2.074 0.030 1 432 44 44 GLU HB3 H 2.074 0.030 1 433 44 44 GLU HG2 H 2.145 0.030 2 434 44 44 GLU HG3 H 2.279 0.030 2 435 44 44 GLU C C 178.964 0.300 1 436 44 44 GLU CA C 59.670 0.300 1 437 44 44 GLU CB C 29.317 0.300 1 438 44 44 GLU CG C 36.543 0.300 1 439 44 44 GLU N N 117.021 0.300 1 440 45 45 GLN H H 6.998 0.030 1 441 45 45 GLN HA H 3.871 0.030 1 442 45 45 GLN HB2 H 1.746 0.030 2 443 45 45 GLN HB3 H 1.963 0.030 2 444 45 45 GLN HE21 H 6.928 0.030 2 445 45 45 GLN HE22 H 8.026 0.030 2 446 45 45 GLN HG2 H 2.396 0.030 2 447 45 45 GLN HG3 H 2.157 0.030 2 448 45 45 GLN C C 178.079 0.300 1 449 45 45 GLN CA C 58.444 0.300 1 450 45 45 GLN CB C 29.329 0.300 1 451 45 45 GLN CG C 34.359 0.300 1 452 45 45 GLN N N 116.957 0.300 1 453 45 45 GLN NE2 N 113.649 0.300 1 454 46 46 VAL H H 7.276 0.030 1 455 46 46 VAL HA H 3.003 0.030 1 456 46 46 VAL HB H 2.166 0.030 1 457 46 46 VAL HG1 H 0.838 0.030 1 458 46 46 VAL HG2 H 0.948 0.030 1 459 46 46 VAL C C 176.019 0.300 1 460 46 46 VAL CA C 68.078 0.300 1 461 46 46 VAL CB C 31.328 0.300 1 462 46 46 VAL CG1 C 22.895 0.300 2 463 46 46 VAL CG2 C 23.963 0.300 2 464 46 46 VAL N N 117.898 0.300 1 465 47 47 ILE H H 8.207 0.030 1 466 47 47 ILE HA H 3.395 0.030 1 467 47 47 ILE HB H 1.710 0.030 1 468 47 47 ILE HD1 H 0.878 0.030 1 469 47 47 ILE HG12 H 1.820 0.030 2 470 47 47 ILE HG13 H 0.994 0.030 2 471 47 47 ILE HG2 H 0.902 0.030 1 472 47 47 ILE C C 177.554 0.300 1 473 47 47 ILE CA C 65.834 0.300 1 474 47 47 ILE CB C 39.129 0.300 1 475 47 47 ILE CD1 C 14.097 0.300 1 476 47 47 ILE CG1 C 30.705 0.300 1 477 47 47 ILE CG2 C 17.879 0.300 1 478 47 47 ILE N N 116.853 0.300 1 479 48 48 ASN H H 8.035 0.030 1 480 48 48 ASN HA H 4.359 0.030 1 481 48 48 ASN HB2 H 2.566 0.030 2 482 48 48 ASN HB3 H 2.652 0.030 2 483 48 48 ASN HD21 H 6.944 0.030 2 484 48 48 ASN HD22 H 7.408 0.030 2 485 48 48 ASN C C 177.275 0.300 1 486 48 48 ASN CA C 56.663 0.300 1 487 48 48 ASN CB C 38.205 0.300 1 488 48 48 ASN N N 115.231 0.300 1 489 48 48 ASN ND2 N 112.365 0.300 1 490 49 49 ASN H H 8.012 0.030 1 491 49 49 ASN HA H 4.264 0.030 1 492 49 49 ASN HB2 H 2.170 0.030 2 493 49 49 ASN HB3 H 2.396 0.030 2 494 49 49 ASN HD21 H 6.987 0.030 2 495 49 49 ASN HD22 H 5.010 0.030 2 496 49 49 ASN C C 177.655 0.300 1 497 49 49 ASN CA C 56.393 0.300 1 498 49 49 ASN CB C 37.421 0.300 1 499 49 49 ASN N N 115.858 0.300 1 500 49 49 ASN ND2 N 110.740 0.300 1 501 50 50 ILE H H 7.987 0.030 1 502 50 50 ILE HA H 3.765 0.030 1 503 50 50 ILE HB H 1.909 0.030 1 504 50 50 ILE HD1 H 0.906 0.030 1 505 50 50 ILE HG12 H 2.098 0.030 2 506 50 50 ILE HG13 H 1.002 0.030 2 507 50 50 ILE HG2 H 0.958 0.030 1 508 50 50 ILE C C 180.107 0.300 1 509 50 50 ILE CA C 66.045 0.300 1 510 50 50 ILE CB C 38.068 0.300 1 511 50 50 ILE CD1 C 15.084 0.300 1 512 50 50 ILE CG1 C 30.860 0.300 1 513 50 50 ILE CG2 C 17.550 0.300 1 514 50 50 ILE N N 119.973 0.300 1 515 51 51 LEU H H 8.704 0.030 1 516 51 51 LEU HA H 4.068 0.030 1 517 51 51 LEU HB2 H 1.486 0.030 2 518 51 51 LEU HB3 H 2.002 0.030 2 519 51 51 LEU HD1 H 0.884 0.030 1 520 51 51 LEU HD2 H 0.918 0.030 1 521 51 51 LEU HG H 1.917 0.030 1 522 51 51 LEU C C 179.889 0.300 1 523 51 51 LEU CA C 58.374 0.300 1 524 51 51 LEU CB C 41.995 0.300 1 525 51 51 LEU CD1 C 25.830 0.300 2 526 51 51 LEU CD2 C 22.566 0.300 2 527 51 51 LEU CG C 26.595 0.300 1 528 51 51 LEU N N 121.319 0.300 1 529 52 52 GLU H H 8.104 0.030 1 530 52 52 GLU HA H 4.279 0.030 1 531 52 52 GLU HB2 H 1.760 0.030 2 532 52 52 GLU HB3 H 2.210 0.030 2 533 52 52 GLU HG2 H 2.416 0.030 2 534 52 52 GLU HG3 H 2.204 0.030 2 535 52 52 GLU C C 174.959 0.300 1 536 52 52 GLU CA C 55.898 0.300 1 537 52 52 GLU CB C 29.270 0.300 1 538 52 52 GLU CG C 36.543 0.300 1 539 52 52 GLU N N 114.353 0.300 1 540 53 53 GLU H H 7.675 0.030 1 541 53 53 GLU HA H 3.944 0.030 1 542 53 53 GLU HB2 H 2.157 0.030 2 543 53 53 GLU HB3 H 2.159 0.030 2 544 53 53 GLU HG2 H 2.226 0.030 1 545 53 53 GLU HG3 H 2.226 0.030 1 546 53 53 GLU C C 176.033 0.300 1 547 53 53 GLU CA C 57.304 0.300 1 548 53 53 GLU CB C 26.486 0.300 1 549 53 53 GLU CG C 36.109 0.300 1 550 53 53 GLU N N 116.781 0.300 1 551 54 54 ARG H H 8.683 0.030 1 552 54 54 ARG HA H 4.689 0.030 1 553 54 54 ARG HB2 H 1.493 0.030 2 554 54 54 ARG HB3 H 1.975 0.030 2 555 54 54 ARG HD2 H 3.143 0.030 2 556 54 54 ARG HD3 H 3.191 0.030 2 557 54 54 ARG HG2 H 1.586 0.030 2 558 54 54 ARG HG3 H 1.486 0.030 2 559 54 54 ARG C C 175.719 0.300 1 560 54 54 ARG CA C 54.041 0.300 1 561 54 54 ARG CB C 31.079 0.300 1 562 54 54 ARG CD C 43.764 0.300 1 563 54 54 ARG CG C 27.361 0.300 1 564 54 54 ARG N N 118.683 0.300 1 565 55 55 LEU H H 7.832 0.030 1 566 55 55 LEU HA H 4.192 0.030 1 567 55 55 LEU HB2 H 1.351 0.030 2 568 55 55 LEU HB3 H 1.738 0.030 2 569 55 55 LEU HD1 H 1.012 0.030 1 570 55 55 LEU HD2 H 0.985 0.030 1 571 55 55 LEU HG H 1.649 0.030 1 572 55 55 LEU C C 177.140 0.300 1 573 55 55 LEU CA C 54.885 0.300 1 574 55 55 LEU CB C 43.598 0.300 1 575 55 55 LEU CD1 C 26.049 0.300 2 576 55 55 LEU CD2 C 23.635 0.300 2 577 55 55 LEU CG C 26.705 0.300 1 578 55 55 LEU N N 119.827 0.300 1 579 56 56 ALA H H 6.596 0.030 1 580 56 56 ALA HA H 4.468 0.030 1 581 56 56 ALA HB H 1.024 0.030 1 582 56 56 ALA C C 176.453 0.300 1 583 56 56 ALA CA C 50.713 0.300 1 584 56 56 ALA CB C 17.953 0.300 1 585 56 56 ALA N N 123.604 0.300 1 586 57 57 PRO HA H 4.308 0.030 1 587 57 57 PRO HB2 H 2.363 0.030 2 588 57 57 PRO HB3 H 1.954 0.030 2 589 57 57 PRO HD2 H 3.795 0.030 2 590 57 57 PRO HD3 H 3.886 0.030 2 591 57 57 PRO HG2 H 2.073 0.030 2 592 57 57 PRO HG3 H 2.164 0.030 2 593 57 57 PRO CA C 65.849 0.300 1 594 57 57 PRO CB C 31.889 0.300 1 595 57 57 PRO CD C 50.495 0.300 1 596 57 57 PRO CG C 27.479 0.300 1 597 58 58 THR H H 7.689 0.030 1 598 58 58 THR HA H 3.948 0.030 1 599 58 58 THR HB H 3.977 0.030 1 600 58 58 THR HG2 H 1.178 0.030 1 601 58 58 THR C C 175.961 0.300 1 602 58 58 THR CA C 64.601 0.300 1 603 58 58 THR CB C 68.425 0.300 1 604 58 58 THR CG2 C 22.331 0.300 1 605 59 59 LEU H H 7.054 0.030 1 606 59 59 LEU HA H 4.279 0.030 1 607 59 59 LEU HB2 H 1.394 0.030 2 608 59 59 LEU HB3 H 1.793 0.030 2 609 59 59 LEU HD1 H 0.678 0.030 1 610 59 59 LEU HD2 H 0.540 0.030 1 611 59 59 LEU HG H 0.985 0.030 1 612 59 59 LEU C C 178.999 0.300 1 613 59 59 LEU CA C 55.548 0.300 1 614 59 59 LEU CB C 43.024 0.300 1 615 59 59 LEU CD1 C 27.514 0.300 2 616 59 59 LEU CD2 C 21.661 0.300 2 617 59 59 LEU CG C 26.825 0.300 1 618 59 59 LEU N N 119.290 0.300 1 619 60 60 SER H H 8.101 0.030 1 620 60 60 SER HA H 4.091 0.030 1 621 60 60 SER HB2 H 3.943 0.030 2 622 60 60 SER HB3 H 3.783 0.030 2 623 60 60 SER C C 175.549 0.300 1 624 60 60 SER CA C 61.045 0.300 1 625 60 60 SER CB C 62.893 0.300 1 626 60 60 SER N N 113.700 0.300 1 627 61 61 GLN H H 7.406 0.030 1 628 61 61 GLN HA H 4.363 0.030 1 629 61 61 GLN HB2 H 1.956 0.030 2 630 61 61 GLN HB3 H 2.209 0.030 2 631 61 61 GLN HE21 H 6.796 0.030 2 632 61 61 GLN HE22 H 7.372 0.030 2 633 61 61 GLN HG2 H 2.361 0.030 1 634 61 61 GLN HG3 H 2.361 0.030 1 635 61 61 GLN C C 176.034 0.300 1 636 61 61 GLN CA C 55.510 0.300 1 637 61 61 GLN CB C 29.102 0.300 1 638 61 61 GLN CG C 33.748 0.300 1 639 61 61 GLN N N 116.415 0.300 1 640 61 61 GLN NE2 N 111.774 0.300 1 641 62 62 LEU H H 7.264 0.030 1 642 62 62 LEU HA H 4.269 0.030 1 643 62 62 LEU HB2 H 1.588 0.030 2 644 62 62 LEU HB3 H 2.098 0.030 2 645 62 62 LEU HD1 H 0.946 0.030 1 646 62 62 LEU HD2 H 0.878 0.030 1 647 62 62 LEU HG H 1.977 0.030 1 648 62 62 LEU C C 176.501 0.300 1 649 62 62 LEU CA C 54.594 0.300 1 650 62 62 LEU CB C 43.024 0.300 1 651 62 62 LEU CD1 C 25.979 0.300 2 652 62 62 LEU CD2 C 22.730 0.300 2 653 62 62 LEU CG C 26.486 0.300 1 654 62 62 LEU N N 120.645 0.300 1 655 63 63 ASP H H 8.262 0.030 1 656 63 63 ASP HA H 4.300 0.030 1 657 63 63 ASP HB2 H 2.601 0.030 2 658 63 63 ASP HB3 H 2.711 0.030 2 659 63 63 ASP C C 177.022 0.300 1 660 63 63 ASP CA C 54.290 0.300 1 661 63 63 ASP CB C 41.393 0.300 1 662 63 63 ASP N N 121.872 0.300 1 663 64 64 ARG H H 8.344 0.030 1 664 64 64 ARG HA H 3.041 0.030 1 665 64 64 ARG HB2 H 1.383 0.030 1 666 64 64 ARG HB3 H 1.383 0.030 1 667 64 64 ARG HD2 H 2.239 0.030 2 668 64 64 ARG HD3 H 2.527 0.030 2 669 64 64 ARG HE H 7.200 0.030 1 670 64 64 ARG HG2 H 1.274 0.030 2 671 64 64 ARG HG3 H 0.639 0.030 2 672 64 64 ARG C C 176.056 0.300 1 673 64 64 ARG CA C 57.217 0.300 1 674 64 64 ARG CB C 29.263 0.300 1 675 64 64 ARG CD C 42.956 0.300 1 676 64 64 ARG CG C 27.381 0.300 1 677 64 64 ARG N N 124.907 0.300 1 678 64 64 ARG NE N 84.756 0.300 1 679 65 65 ASN H H 8.433 0.030 1 680 65 65 ASN HA H 4.632 0.030 1 681 65 65 ASN HB2 H 2.704 0.030 2 682 65 65 ASN HB3 H 2.861 0.030 2 683 65 65 ASN HD21 H 6.822 0.030 2 684 65 65 ASN HD22 H 7.663 0.030 2 685 65 65 ASN C C 175.330 0.300 1 686 65 65 ASN CA C 52.553 0.300 1 687 65 65 ASN CB C 39.107 0.300 1 688 65 65 ASN N N 113.711 0.300 1 689 65 65 ASN ND2 N 112.937 0.300 1 690 66 66 LEU H H 7.212 0.030 1 691 66 66 LEU HA H 4.070 0.030 1 692 66 66 LEU HB2 H 1.708 0.030 2 693 66 66 LEU HB3 H 1.892 0.030 2 694 66 66 LEU HD1 H 0.888 0.030 1 695 66 66 LEU HD2 H 1.068 0.030 1 696 66 66 LEU HG H 1.896 0.030 1 697 66 66 LEU C C 176.844 0.300 1 698 66 66 LEU CA C 56.953 0.300 1 699 66 66 LEU CB C 43.729 0.300 1 700 66 66 LEU CD1 C 25.393 0.300 2 701 66 66 LEU CD2 C 24.292 0.300 2 702 66 66 LEU CG C 26.268 0.300 1 703 66 66 LEU N N 121.901 0.300 1 704 67 67 ASP H H 8.667 0.030 1 705 67 67 ASP HA H 4.844 0.030 1 706 67 67 ASP HB2 H 2.724 0.030 2 707 67 67 ASP HB3 H 2.817 0.030 2 708 67 67 ASP C C 176.265 0.300 1 709 67 67 ASP CA C 53.475 0.300 1 710 67 67 ASP CB C 42.243 0.300 1 711 67 67 ASP N N 126.863 0.300 1 712 68 68 ARG H H 8.757 0.030 1 713 68 68 ARG HA H 4.246 0.030 1 714 68 68 ARG HB2 H 1.646 0.030 2 715 68 68 ARG HB3 H 1.806 0.030 2 716 68 68 ARG HD2 H 3.082 0.030 2 717 68 68 ARG HD3 H 3.125 0.030 2 718 68 68 ARG HE H 7.277 0.030 1 719 68 68 ARG HG2 H 1.577 0.030 1 720 68 68 ARG HG3 H 1.577 0.030 1 721 68 68 ARG C C 175.772 0.300 1 722 68 68 ARG CA C 56.331 0.300 1 723 68 68 ARG CB C 31.832 0.300 1 724 68 68 ARG CD C 43.982 0.300 1 725 68 68 ARG CG C 27.088 0.300 1 726 68 68 ARG N N 119.481 0.300 1 727 68 68 ARG NE N 82.915 0.300 1 728 69 69 GLU H H 8.553 0.030 1 729 69 69 GLU HA H 4.243 0.030 1 730 69 69 GLU HB2 H 1.934 0.030 2 731 69 69 GLU HB3 H 2.028 0.030 2 732 69 69 GLU HG2 H 2.199 0.030 2 733 69 69 GLU HG3 H 2.281 0.030 2 734 69 69 GLU C C 176.238 0.300 1 735 69 69 GLU CA C 56.481 0.300 1 736 69 69 GLU CB C 30.150 0.300 1 737 69 69 GLU CG C 36.328 0.300 1 738 69 69 GLU N N 123.117 0.300 1 739 70 70 MET H H 8.524 0.030 1 740 70 70 MET HA H 4.491 0.030 1 741 70 70 MET HB2 H 1.994 0.030 2 742 70 70 MET HB3 H 2.110 0.030 2 743 70 70 MET HE H 2.084 0.030 1 744 70 70 MET HG2 H 2.611 0.030 2 745 70 70 MET HG3 H 2.492 0.030 2 746 70 70 MET C C 175.123 0.300 1 747 70 70 MET CA C 55.207 0.300 1 748 70 70 MET CB C 32.378 0.300 1 749 70 70 MET CE C 16.984 0.300 1 750 70 70 MET CG C 32.038 0.300 1 751 70 70 MET N N 122.418 0.300 1 752 71 71 ASN H H 8.115 0.030 1 753 71 71 ASN HA H 4.512 0.030 1 754 71 71 ASN HB2 H 2.681 0.030 2 755 71 71 ASN HB3 H 2.766 0.030 2 756 71 71 ASN HD21 H 6.843 0.030 2 757 71 71 ASN HD22 H 7.549 0.030 2 758 71 71 ASN C C 179.554 0.300 1 759 71 71 ASN CA C 54.886 0.300 1 760 71 71 ASN CB C 40.563 0.300 1 761 71 71 ASN N N 125.375 0.300 1 762 71 71 ASN ND2 N 113.236 0.300 1 stop_ save_