data_11218 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CIDE-N domain of human cell death activator CIDE-A ; _BMRB_accession_number 11218 _BMRB_flat_file_name bmr11218.str _Entry_type original _Submission_date 2010-07-22 _Accession_date 2010-07-23 _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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" 493 "13C chemical shifts" 383 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-21 original author . stop_ _Original_release_date 2011-07-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the CIDE-N domain of human cell death activator CIDE-A' _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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 'CIDE-N domain of human cell death activator CIDE-A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CIDE-N domain of human cell death activator CIDE-A' $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 'CIDE-N domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; GSSGSSGPARPFRVSNHDRS SRRGVMASSLQELISKTLDA LVIATGLVTLVLEEDGTVVD TEEFFQTLGDNTHFMILEKG QKWMPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 ALA 10 ARG 11 PRO 12 PHE 13 ARG 14 VAL 15 SER 16 ASN 17 HIS 18 ASP 19 ARG 20 SER 21 SER 22 ARG 23 ARG 24 GLY 25 VAL 26 MET 27 ALA 28 SER 29 SER 30 LEU 31 GLN 32 GLU 33 LEU 34 ILE 35 SER 36 LYS 37 THR 38 LEU 39 ASP 40 ALA 41 LEU 42 VAL 43 ILE 44 ALA 45 THR 46 GLY 47 LEU 48 VAL 49 THR 50 LEU 51 VAL 52 LEU 53 GLU 54 GLU 55 ASP 56 GLY 57 THR 58 VAL 59 VAL 60 ASP 61 THR 62 GLU 63 GLU 64 PHE 65 PHE 66 GLN 67 THR 68 LEU 69 GLY 70 ASP 71 ASN 72 THR 73 HIS 74 PHE 75 MET 76 ILE 77 LEU 78 GLU 79 LYS 80 GLY 81 GLN 82 LYS 83 TRP 84 MET 85 PRO 86 SER 87 GLY 88 PRO 89 SER 90 SER 91 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 2EEL "Solution Structure Of The Cide-N Domain Of Human Cell Death Activator Cide-A" 100.00 91 100.00 100.00 1.30e-57 GB AAC34987 "cell death activator CIDE-A [Homo sapiens]" 85.71 219 100.00 100.00 8.41e-48 GB AAH31896 "Cell death-inducing DFFA-like effector a [Homo sapiens]" 85.71 253 100.00 100.00 1.18e-46 GB AAQ65241 "cell death activator [Homo sapiens]" 85.71 219 100.00 100.00 8.88e-48 GB ACA05965 "cell death activator CIDE-A variant 2 [Homo sapiens]" 85.71 253 100.00 100.00 1.18e-46 GB ACA05966 "cell death activator CIDE-A variant 1 [Homo sapiens]" 85.71 219 100.00 100.00 8.41e-48 REF NP_001270 "cell death activator CIDE-A isoform 1 [Homo sapiens]" 85.71 219 100.00 100.00 8.41e-48 REF XP_001094509 "PREDICTED: cell death activator CIDE-A [Macaca mulatta]" 84.62 219 98.70 98.70 5.03e-46 REF XP_002757072 "PREDICTED: cell death activator CIDE-A isoform X1 [Callithrix jacchus]" 85.71 219 97.44 98.72 1.22e-46 REF XP_002828066 "PREDICTED: cell death activator CIDE-A [Pongo abelii]" 85.71 122 97.44 98.72 9.03e-48 REF XP_003817916 "PREDICTED: cell death activator CIDE-A isoform X1 [Pan paniscus]" 85.71 219 100.00 100.00 7.55e-48 SP O60543 "RecName: Full=Cell death activator CIDE-A; AltName: Full=Cell death-inducing DFFA-like effector A" 85.71 219 100.00 100.00 8.41e-48 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P050613-03 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.10mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.10 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_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 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 0.9816 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 Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 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 $VNMR $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 'CIDE-N domain of human cell death activator CIDE-A' _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 2 2 SER C C 174.696 0.300 1 2 2 2 SER CA C 58.351 0.300 1 3 2 2 SER CB C 64.044 0.300 1 4 3 3 SER H H 8.460 0.030 1 5 3 3 SER C C 174.537 0.300 1 6 3 3 SER CA C 58.366 0.300 1 7 3 3 SER CB C 64.074 0.300 1 8 3 3 SER N N 117.866 0.300 1 9 6 6 SER HA H 4.502 0.030 1 10 6 6 SER HB2 H 3.897 0.030 1 11 6 6 SER HB3 H 3.897 0.030 1 12 6 6 SER C C 173.931 0.300 1 13 6 6 SER CA C 58.410 0.300 1 14 6 6 SER CB C 64.108 0.300 1 15 7 7 GLY HA2 H 3.798 0.030 1 16 7 7 GLY HA3 H 3.798 0.030 1 17 7 7 GLY C C 178.995 0.300 1 18 7 7 GLY CA C 46.214 0.300 1 19 8 8 PRO HA H 4.472 0.030 1 20 8 8 PRO HB2 H 2.261 0.030 2 21 8 8 PRO HB3 H 1.941 0.030 2 22 8 8 PRO HD2 H 3.615 0.030 1 23 8 8 PRO HD3 H 3.615 0.030 1 24 8 8 PRO HG2 H 2.007 0.030 1 25 8 8 PRO HG3 H 2.007 0.030 1 26 8 8 PRO C C 176.415 0.300 1 27 8 8 PRO CA C 62.540 0.300 1 28 8 8 PRO CB C 32.172 0.300 1 29 8 8 PRO CD C 49.636 0.300 1 30 8 8 PRO CG C 27.169 0.300 1 31 9 9 ALA H H 8.328 0.030 1 32 9 9 ALA HA H 4.006 0.030 1 33 9 9 ALA HB H 1.258 0.030 1 34 9 9 ALA C C 176.471 0.300 1 35 9 9 ALA CA C 52.330 0.300 1 36 9 9 ALA CB C 18.984 0.300 1 37 9 9 ALA N N 123.303 0.300 1 38 10 10 ARG H H 8.142 0.030 1 39 10 10 ARG HA H 4.639 0.030 1 40 10 10 ARG HB2 H 1.419 0.030 2 41 10 10 ARG HB3 H 1.739 0.030 2 42 10 10 ARG HD2 H 3.512 0.030 2 43 10 10 ARG HD3 H 3.266 0.030 2 44 10 10 ARG HE H 7.409 0.030 1 45 10 10 ARG HG2 H 1.607 0.030 2 46 10 10 ARG HG3 H 1.712 0.030 2 47 10 10 ARG C C 171.904 0.300 1 48 10 10 ARG CA C 53.423 0.300 1 49 10 10 ARG CB C 31.456 0.300 1 50 10 10 ARG CD C 43.980 0.300 1 51 10 10 ARG CG C 27.189 0.300 1 52 10 10 ARG N N 122.471 0.300 1 53 10 10 ARG NE N 85.346 0.300 1 54 11 11 PRO HA H 5.050 0.030 1 55 11 11 PRO HB2 H 1.958 0.030 2 56 11 11 PRO HB3 H 1.840 0.030 2 57 11 11 PRO HD2 H 3.470 0.030 2 58 11 11 PRO HD3 H 3.382 0.030 2 59 11 11 PRO HG2 H 1.964 0.030 1 60 11 11 PRO HG3 H 1.964 0.030 1 61 11 11 PRO CA C 62.375 0.300 1 62 11 11 PRO CB C 32.668 0.300 1 63 11 11 PRO CD C 49.768 0.300 1 64 11 11 PRO CG C 27.181 0.300 1 65 12 12 PHE H H 8.847 0.030 1 66 12 12 PHE HA H 4.879 0.030 1 67 12 12 PHE HB2 H 3.614 0.030 2 68 12 12 PHE HB3 H 2.622 0.030 2 69 12 12 PHE HD1 H 7.435 0.030 1 70 12 12 PHE HD2 H 7.435 0.030 1 71 12 12 PHE HE1 H 7.328 0.030 1 72 12 12 PHE HE2 H 7.328 0.030 1 73 12 12 PHE HZ H 6.924 0.030 1 74 12 12 PHE C C 174.590 0.300 1 75 12 12 PHE CA C 57.434 0.300 1 76 12 12 PHE CB C 44.298 0.300 1 77 12 12 PHE CD1 C 133.033 0.300 1 78 12 12 PHE CD2 C 133.033 0.300 1 79 12 12 PHE CE1 C 130.496 0.300 1 80 12 12 PHE CE2 C 130.496 0.300 1 81 12 12 PHE CZ C 130.468 0.300 1 82 12 12 PHE N N 116.225 0.300 1 83 13 13 ARG H H 8.399 0.030 1 84 13 13 ARG HA H 5.297 0.030 1 85 13 13 ARG HB2 H 1.397 0.030 2 86 13 13 ARG HB3 H 1.331 0.030 2 87 13 13 ARG HD2 H 2.701 0.030 2 88 13 13 ARG HD3 H 3.018 0.030 2 89 13 13 ARG HG2 H 1.442 0.030 1 90 13 13 ARG HG3 H 1.442 0.030 1 91 13 13 ARG C C 175.202 0.300 1 92 13 13 ARG CA C 54.485 0.300 1 93 13 13 ARG CB C 33.039 0.300 1 94 13 13 ARG CD C 43.339 0.300 1 95 13 13 ARG CG C 26.710 0.300 1 96 13 13 ARG N N 120.283 0.300 1 97 14 14 VAL H H 9.274 0.030 1 98 14 14 VAL HA H 5.468 0.030 1 99 14 14 VAL HB H 1.924 0.030 1 100 14 14 VAL HG1 H 0.952 0.030 1 101 14 14 VAL HG2 H 1.007 0.030 1 102 14 14 VAL C C 174.553 0.300 1 103 14 14 VAL CA C 60.309 0.300 1 104 14 14 VAL CB C 35.484 0.300 1 105 14 14 VAL CG1 C 20.178 0.300 2 106 14 14 VAL CG2 C 21.534 0.300 2 107 14 14 VAL N N 120.100 0.300 1 108 15 15 SER H H 8.973 0.030 1 109 15 15 SER HA H 5.903 0.030 1 110 15 15 SER HB2 H 4.114 0.030 2 111 15 15 SER HB3 H 3.882 0.030 2 112 15 15 SER C C 173.920 0.300 1 113 15 15 SER CA C 57.776 0.300 1 114 15 15 SER CB C 66.747 0.300 1 115 15 15 SER N N 121.255 0.300 1 116 16 16 ASN H H 8.257 0.030 1 117 16 16 ASN HA H 4.976 0.030 1 118 16 16 ASN HB2 H 3.661 0.030 2 119 16 16 ASN HB3 H 2.900 0.030 2 120 16 16 ASN HD21 H 6.599 0.030 2 121 16 16 ASN HD22 H 8.076 0.030 2 122 16 16 ASN C C 177.901 0.300 1 123 16 16 ASN CA C 51.856 0.300 1 124 16 16 ASN CB C 38.231 0.300 1 125 16 16 ASN N N 118.899 0.300 1 126 16 16 ASN ND2 N 109.960 0.300 1 127 17 17 HIS H H 8.996 0.030 1 128 17 17 HIS HA H 4.746 0.030 1 129 17 17 HIS HB2 H 3.278 0.030 2 130 17 17 HIS HB3 H 2.996 0.030 2 131 17 17 HIS HD2 H 7.026 0.030 1 132 17 17 HIS HE1 H 7.719 0.030 1 133 17 17 HIS C C 174.231 0.300 1 134 17 17 HIS CA C 58.717 0.300 1 135 17 17 HIS CB C 31.314 0.300 1 136 17 17 HIS CD2 C 118.894 0.300 1 137 17 17 HIS CE1 C 137.883 0.300 1 138 17 17 HIS N N 117.645 0.300 1 139 18 18 ASP H H 6.795 0.030 1 140 18 18 ASP HA H 4.500 0.030 1 141 18 18 ASP HB2 H 1.747 0.030 2 142 18 18 ASP HB3 H 2.813 0.030 2 143 18 18 ASP C C 176.262 0.300 1 144 18 18 ASP CA C 51.120 0.300 1 145 18 18 ASP CB C 39.192 0.300 1 146 18 18 ASP N N 116.501 0.300 1 147 19 19 ARG H H 8.022 0.030 1 148 19 19 ARG HA H 3.744 0.030 1 149 19 19 ARG HB2 H 2.037 0.030 2 150 19 19 ARG HB3 H 1.930 0.030 2 151 19 19 ARG HD2 H 3.114 0.030 2 152 19 19 ARG HD3 H 3.068 0.030 2 153 19 19 ARG HE H 8.882 0.030 1 154 19 19 ARG HG2 H 1.605 0.030 2 155 19 19 ARG HG3 H 1.352 0.030 2 156 19 19 ARG C C 174.611 0.300 1 157 19 19 ARG CA C 58.051 0.300 1 158 19 19 ARG CB C 26.710 0.300 1 159 19 19 ARG CD C 43.551 0.300 1 160 19 19 ARG CG C 29.319 0.300 1 161 19 19 ARG N N 113.362 0.300 1 162 19 19 ARG NE N 88.655 0.300 1 163 20 20 SER H H 8.566 0.030 1 164 20 20 SER HA H 4.304 0.030 1 165 20 20 SER HB2 H 3.941 0.030 2 166 20 20 SER HB3 H 3.679 0.030 2 167 20 20 SER C C 175.742 0.300 1 168 20 20 SER CA C 59.829 0.300 1 169 20 20 SER CB C 63.753 0.300 1 170 20 20 SER N N 114.856 0.300 1 171 21 21 SER H H 8.188 0.030 1 172 21 21 SER HA H 4.731 0.030 1 173 21 21 SER HB2 H 3.609 0.030 2 174 21 21 SER HB3 H 3.590 0.030 2 175 21 21 SER C C 171.742 0.300 1 176 21 21 SER CA C 57.726 0.300 1 177 21 21 SER CB C 65.584 0.300 1 178 21 21 SER N N 119.010 0.300 1 179 22 22 ARG H H 8.223 0.030 1 180 22 22 ARG HA H 5.451 0.030 1 181 22 22 ARG HB2 H 1.682 0.030 1 182 22 22 ARG HB3 H 1.682 0.030 1 183 22 22 ARG HD2 H 2.968 0.030 2 184 22 22 ARG HD3 H 2.894 0.030 2 185 22 22 ARG HG2 H 1.505 0.030 2 186 22 22 ARG HG3 H 1.447 0.030 2 187 22 22 ARG C C 176.263 0.300 1 188 22 22 ARG CA C 54.624 0.300 1 189 22 22 ARG CB C 33.426 0.300 1 190 22 22 ARG CD C 43.697 0.300 1 191 22 22 ARG CG C 26.897 0.300 1 192 22 22 ARG N N 123.465 0.300 1 193 23 23 ARG H H 9.192 0.030 1 194 23 23 ARG HA H 4.831 0.030 1 195 23 23 ARG HB2 H 1.846 0.030 2 196 23 23 ARG HB3 H 1.494 0.030 2 197 23 23 ARG HD2 H 3.238 0.030 2 198 23 23 ARG HD3 H 3.426 0.030 2 199 23 23 ARG HG2 H 1.508 0.030 2 200 23 23 ARG HG3 H 1.463 0.030 2 201 23 23 ARG C C 174.946 0.300 1 202 23 23 ARG CA C 53.193 0.300 1 203 23 23 ARG CB C 34.052 0.300 1 204 23 23 ARG CD C 42.455 0.300 1 205 23 23 ARG CG C 26.984 0.300 1 206 23 23 ARG N N 123.198 0.300 1 207 24 24 GLY H H 8.580 0.030 1 208 24 24 GLY HA2 H 4.893 0.030 1 209 24 24 GLY HA3 H 4.893 0.030 1 210 24 24 GLY C C 174.958 0.300 1 211 24 24 GLY CA C 44.771 0.300 1 212 24 24 GLY N N 110.311 0.300 1 213 25 25 VAL H H 8.590 0.030 1 214 25 25 VAL HA H 4.533 0.030 1 215 25 25 VAL HB H 1.843 0.030 1 216 25 25 VAL HG1 H 0.868 0.030 1 217 25 25 VAL HG2 H 0.772 0.030 1 218 25 25 VAL C C 174.036 0.300 1 219 25 25 VAL CA C 60.276 0.300 1 220 25 25 VAL CB C 36.635 0.300 1 221 25 25 VAL CG1 C 22.372 0.300 2 222 25 25 VAL CG2 C 20.075 0.300 2 223 25 25 VAL N N 121.762 0.300 1 224 26 26 MET H H 8.344 0.030 1 225 26 26 MET HA H 5.560 0.030 1 226 26 26 MET HB2 H 1.902 0.030 2 227 26 26 MET HB3 H 1.678 0.030 2 228 26 26 MET HE H 1.785 0.030 1 229 26 26 MET HG2 H 2.527 0.030 2 230 26 26 MET HG3 H 2.377 0.030 2 231 26 26 MET C C 176.178 0.300 1 232 26 26 MET CA C 52.680 0.300 1 233 26 26 MET CB C 33.151 0.300 1 234 26 26 MET CE C 16.153 0.300 1 235 26 26 MET CG C 31.572 0.300 1 236 26 26 MET N N 122.880 0.300 1 237 27 27 ALA H H 9.588 0.030 1 238 27 27 ALA HA H 4.959 0.030 1 239 27 27 ALA HB H 1.581 0.030 1 240 27 27 ALA C C 177.481 0.300 1 241 27 27 ALA CA C 51.910 0.300 1 242 27 27 ALA CB C 23.901 0.300 1 243 27 27 ALA N N 122.366 0.300 1 244 28 28 SER H H 9.648 0.030 1 245 28 28 SER HA H 5.077 0.030 1 246 28 28 SER HB2 H 3.997 0.030 2 247 28 28 SER HB3 H 3.767 0.030 2 248 28 28 SER C C 173.193 0.300 1 249 28 28 SER CA C 58.267 0.300 1 250 28 28 SER CB C 65.268 0.300 1 251 28 28 SER N N 116.068 0.300 1 252 29 29 SER H H 7.561 0.030 1 253 29 29 SER HA H 4.806 0.030 1 254 29 29 SER HB2 H 4.277 0.030 2 255 29 29 SER HB3 H 3.928 0.030 2 256 29 29 SER C C 172.534 0.300 1 257 29 29 SER CA C 56.902 0.300 1 258 29 29 SER CB C 66.143 0.300 1 259 29 29 SER N N 114.527 0.300 1 260 30 30 LEU H H 10.299 0.030 1 261 30 30 LEU HA H 2.713 0.030 1 262 30 30 LEU HB2 H 1.550 0.030 2 263 30 30 LEU HB3 H 0.676 0.030 2 264 30 30 LEU HD1 H 0.532 0.030 1 265 30 30 LEU HD2 H 0.438 0.030 1 266 30 30 LEU HG H 1.183 0.030 1 267 30 30 LEU C C 177.925 0.300 1 268 30 30 LEU CA C 57.293 0.300 1 269 30 30 LEU CB C 40.749 0.300 1 270 30 30 LEU CD1 C 25.245 0.300 2 271 30 30 LEU CD2 C 23.584 0.300 2 272 30 30 LEU CG C 26.509 0.300 1 273 30 30 LEU N N 127.196 0.300 1 274 31 31 GLN H H 8.300 0.030 1 275 31 31 GLN HA H 3.751 0.030 1 276 31 31 GLN HB2 H 1.977 0.030 2 277 31 31 GLN HB3 H 1.906 0.030 2 278 31 31 GLN HE21 H 7.436 0.030 2 279 31 31 GLN HE22 H 6.805 0.030 2 280 31 31 GLN HG2 H 2.375 0.030 2 281 31 31 GLN HG3 H 2.310 0.030 2 282 31 31 GLN C C 178.649 0.300 1 283 31 31 GLN CA C 58.736 0.300 1 284 31 31 GLN CB C 27.968 0.300 1 285 31 31 GLN CG C 33.388 0.300 1 286 31 31 GLN N N 116.874 0.300 1 287 31 31 GLN NE2 N 112.078 0.300 1 288 32 32 GLU H H 7.784 0.030 1 289 32 32 GLU HA H 4.032 0.030 1 290 32 32 GLU HB2 H 2.080 0.030 2 291 32 32 GLU HB3 H 2.006 0.030 2 292 32 32 GLU HG2 H 2.383 0.030 2 293 32 32 GLU HG3 H 2.197 0.030 2 294 32 32 GLU C C 177.209 0.300 1 295 32 32 GLU CA C 58.743 0.300 1 296 32 32 GLU CB C 30.472 0.300 1 297 32 32 GLU CG C 37.164 0.300 1 298 32 32 GLU N N 120.399 0.300 1 299 33 33 LEU H H 8.123 0.030 1 300 33 33 LEU HA H 3.671 0.030 1 301 33 33 LEU HB2 H 1.632 0.030 2 302 33 33 LEU HB3 H 1.006 0.030 2 303 33 33 LEU HD1 H 0.512 0.030 1 304 33 33 LEU HD2 H -0.066 0.030 1 305 33 33 LEU HG H 0.979 0.030 1 306 33 33 LEU C C 180.093 0.300 1 307 33 33 LEU CA C 58.580 0.300 1 308 33 33 LEU CB C 40.642 0.300 1 309 33 33 LEU CD1 C 24.276 0.300 2 310 33 33 LEU CD2 C 26.905 0.300 2 311 33 33 LEU CG C 26.876 0.300 1 312 33 33 LEU N N 121.141 0.300 1 313 34 34 ILE H H 8.383 0.030 1 314 34 34 ILE HA H 3.212 0.030 1 315 34 34 ILE HB H 1.747 0.030 1 316 34 34 ILE HD1 H 0.691 0.030 1 317 34 34 ILE HG12 H 1.556 0.030 2 318 34 34 ILE HG13 H 0.683 0.030 2 319 34 34 ILE HG2 H 0.760 0.030 1 320 34 34 ILE C C 177.115 0.300 1 321 34 34 ILE CA C 66.547 0.300 1 322 34 34 ILE CB C 37.513 0.300 1 323 34 34 ILE CD1 C 12.568 0.300 1 324 34 34 ILE CG1 C 30.138 0.300 1 325 34 34 ILE CG2 C 16.943 0.300 1 326 34 34 ILE N N 120.881 0.300 1 327 35 35 SER H H 7.996 0.030 1 328 35 35 SER HA H 3.969 0.030 1 329 35 35 SER HB2 H 4.042 0.030 1 330 35 35 SER HB3 H 4.042 0.030 1 331 35 35 SER C C 177.838 0.300 1 332 35 35 SER CA C 62.706 0.300 1 333 35 35 SER CB C 62.543 0.300 1 334 35 35 SER N N 114.638 0.300 1 335 36 36 LYS H H 8.791 0.030 1 336 36 36 LYS HA H 4.198 0.030 1 337 36 36 LYS HB2 H 1.910 0.030 2 338 36 36 LYS HB3 H 1.834 0.030 2 339 36 36 LYS HD2 H 1.802 0.030 1 340 36 36 LYS HD3 H 1.802 0.030 1 341 36 36 LYS HE2 H 3.113 0.030 1 342 36 36 LYS HE3 H 3.113 0.030 1 343 36 36 LYS HG2 H 1.562 0.030 2 344 36 36 LYS HG3 H 1.891 0.030 2 345 36 36 LYS C C 180.318 0.300 1 346 36 36 LYS CA C 59.122 0.300 1 347 36 36 LYS CB C 33.193 0.300 1 348 36 36 LYS CD C 29.593 0.300 1 349 36 36 LYS CE C 42.472 0.300 1 350 36 36 LYS CG C 26.443 0.300 1 351 36 36 LYS N N 119.027 0.300 1 352 37 37 THR H H 8.264 0.030 1 353 37 37 THR HA H 3.665 0.030 1 354 37 37 THR HB H 4.270 0.030 1 355 37 37 THR HG2 H 1.056 0.030 1 356 37 37 THR C C 175.632 0.300 1 357 37 37 THR CA C 68.434 0.300 1 358 37 37 THR CB C 67.280 0.300 1 359 37 37 THR CG2 C 23.168 0.300 1 360 37 37 THR N N 120.057 0.300 1 361 38 38 LEU H H 8.255 0.030 1 362 38 38 LEU HA H 3.899 0.030 1 363 38 38 LEU HB2 H 1.911 0.030 2 364 38 38 LEU HB3 H 1.660 0.030 2 365 38 38 LEU HD1 H 0.866 0.030 1 366 38 38 LEU HD2 H 0.760 0.030 1 367 38 38 LEU HG H 2.011 0.030 1 368 38 38 LEU C C 179.382 0.300 1 369 38 38 LEU CA C 58.426 0.300 1 370 38 38 LEU CB C 40.405 0.300 1 371 38 38 LEU CD1 C 25.490 0.300 2 372 38 38 LEU CD2 C 23.318 0.300 2 373 38 38 LEU CG C 26.372 0.300 1 374 38 38 LEU N N 121.360 0.300 1 375 39 39 ASP H H 7.144 0.030 1 376 39 39 ASP HA H 4.500 0.030 1 377 39 39 ASP HB2 H 2.711 0.030 1 378 39 39 ASP HB3 H 2.711 0.030 1 379 39 39 ASP C C 178.456 0.300 1 380 39 39 ASP CA C 56.501 0.300 1 381 39 39 ASP CB C 41.439 0.300 1 382 39 39 ASP N N 115.411 0.300 1 383 40 40 ALA H H 8.209 0.030 1 384 40 40 ALA HA H 4.172 0.030 1 385 40 40 ALA HB H 1.402 0.030 1 386 40 40 ALA C C 179.082 0.300 1 387 40 40 ALA CA C 54.780 0.300 1 388 40 40 ALA CB C 18.664 0.300 1 389 40 40 ALA N N 121.751 0.300 1 390 41 41 LEU H H 8.259 0.030 1 391 41 41 LEU HA H 4.363 0.030 1 392 41 41 LEU HB2 H 1.671 0.030 1 393 41 41 LEU HB3 H 1.671 0.030 1 394 41 41 LEU HD1 H 0.748 0.030 1 395 41 41 LEU HD2 H 0.784 0.030 1 396 41 41 LEU HG H 1.530 0.030 1 397 41 41 LEU C C 175.583 0.300 1 398 41 41 LEU CA C 54.268 0.300 1 399 41 41 LEU CB C 41.943 0.300 1 400 41 41 LEU CD1 C 26.314 0.300 2 401 41 41 LEU CD2 C 23.364 0.300 2 402 41 41 LEU CG C 27.798 0.300 1 403 41 41 LEU N N 114.774 0.300 1 404 42 42 VAL H H 7.535 0.030 1 405 42 42 VAL HA H 3.540 0.030 1 406 42 42 VAL HB H 2.497 0.030 1 407 42 42 VAL HG1 H 0.957 0.030 1 408 42 42 VAL HG2 H 0.833 0.030 1 409 42 42 VAL C C 174.600 0.300 1 410 42 42 VAL CA C 63.120 0.300 1 411 42 42 VAL CB C 28.718 0.300 1 412 42 42 VAL CG1 C 22.989 0.300 2 413 42 42 VAL CG2 C 21.108 0.300 2 414 42 42 VAL N N 120.360 0.300 1 415 43 43 ILE H H 8.216 0.030 1 416 43 43 ILE HA H 4.141 0.030 1 417 43 43 ILE HB H 1.702 0.030 1 418 43 43 ILE HD1 H 0.779 0.030 1 419 43 43 ILE HG12 H 1.377 0.030 2 420 43 43 ILE HG13 H 1.124 0.030 2 421 43 43 ILE HG2 H 0.890 0.030 1 422 43 43 ILE C C 176.165 0.300 1 423 43 43 ILE CA C 60.160 0.300 1 424 43 43 ILE CB C 39.017 0.300 1 425 43 43 ILE CD1 C 13.730 0.300 1 426 43 43 ILE CG1 C 27.437 0.300 1 427 43 43 ILE CG2 C 17.355 0.300 1 428 43 43 ILE N N 123.183 0.300 1 429 44 44 ALA H H 8.716 0.030 1 430 44 44 ALA HA H 4.304 0.030 1 431 44 44 ALA HB H 1.421 0.030 1 432 44 44 ALA C C 177.536 0.300 1 433 44 44 ALA CA C 52.736 0.300 1 434 44 44 ALA CB C 19.508 0.300 1 435 44 44 ALA N N 129.752 0.300 1 436 45 45 THR H H 7.577 0.030 1 437 45 45 THR HA H 4.277 0.030 1 438 45 45 THR HB H 4.191 0.030 1 439 45 45 THR HG2 H 1.182 0.030 1 440 45 45 THR C C 173.543 0.300 1 441 45 45 THR CA C 61.655 0.300 1 442 45 45 THR CB C 69.589 0.300 1 443 45 45 THR CG2 C 20.959 0.300 1 444 45 45 THR N N 111.739 0.300 1 445 46 46 GLY H H 7.890 0.030 1 446 46 46 GLY HA2 H 4.064 0.030 2 447 46 46 GLY HA3 H 3.893 0.030 2 448 46 46 GLY C C 173.596 0.300 1 449 46 46 GLY CA C 44.872 0.300 1 450 46 46 GLY N N 109.386 0.300 1 451 47 47 LEU H H 8.043 0.030 1 452 47 47 LEU HA H 4.516 0.030 1 453 47 47 LEU HB2 H 1.661 0.030 2 454 47 47 LEU HB3 H 1.572 0.030 2 455 47 47 LEU HD1 H 0.936 0.030 1 456 47 47 LEU HD2 H 0.868 0.030 1 457 47 47 LEU HG H 1.602 0.030 1 458 47 47 LEU C C 176.159 0.300 1 459 47 47 LEU CA C 54.776 0.300 1 460 47 47 LEU CB C 41.047 0.300 1 461 47 47 LEU CD1 C 24.951 0.300 2 462 47 47 LEU CD2 C 23.905 0.300 2 463 47 47 LEU CG C 26.826 0.300 1 464 47 47 LEU N N 123.681 0.300 1 465 48 48 VAL H H 7.858 0.030 1 466 48 48 VAL HA H 5.139 0.030 1 467 48 48 VAL HB H 1.908 0.030 1 468 48 48 VAL HG1 H 0.766 0.030 1 469 48 48 VAL HG2 H 0.746 0.030 1 470 48 48 VAL C C 175.322 0.300 1 471 48 48 VAL CA C 58.780 0.300 1 472 48 48 VAL CB C 35.871 0.300 1 473 48 48 VAL CG1 C 21.870 0.300 2 474 48 48 VAL CG2 C 17.880 0.300 2 475 48 48 VAL N N 116.090 0.300 1 476 49 49 THR H H 8.723 0.030 1 477 49 49 THR HA H 4.354 0.030 1 478 49 49 THR HB H 3.847 0.030 1 479 49 49 THR HG2 H 1.231 0.030 1 480 49 49 THR C C 171.284 0.300 1 481 49 49 THR CA C 61.843 0.300 1 482 49 49 THR CB C 71.797 0.300 1 483 49 49 THR CG2 C 21.937 0.300 1 484 49 49 THR N N 117.216 0.300 1 485 50 50 LEU H H 9.290 0.030 1 486 50 50 LEU HA H 5.078 0.030 1 487 50 50 LEU HB2 H 2.032 0.030 2 488 50 50 LEU HB3 H 1.119 0.030 2 489 50 50 LEU HD1 H 0.576 0.030 1 490 50 50 LEU HD2 H 0.169 0.030 1 491 50 50 LEU HG H 1.377 0.030 1 492 50 50 LEU C C 175.044 0.300 1 493 50 50 LEU CA C 53.464 0.300 1 494 50 50 LEU CB C 44.697 0.300 1 495 50 50 LEU CD1 C 24.595 0.300 2 496 50 50 LEU CD2 C 26.126 0.300 2 497 50 50 LEU CG C 27.151 0.300 1 498 50 50 LEU N N 130.094 0.300 1 499 51 51 VAL H H 9.054 0.030 1 500 51 51 VAL HA H 5.593 0.030 1 501 51 51 VAL HB H 1.619 0.030 1 502 51 51 VAL HG1 H 0.760 0.030 1 503 51 51 VAL HG2 H 0.809 0.030 1 504 51 51 VAL C C 176.842 0.300 1 505 51 51 VAL CA C 57.180 0.300 1 506 51 51 VAL CB C 35.464 0.300 1 507 51 51 VAL CG1 C 22.234 0.300 2 508 51 51 VAL CG2 C 20.182 0.300 2 509 51 51 VAL N N 115.902 0.300 1 510 52 52 LEU H H 9.077 0.030 1 511 52 52 LEU HA H 4.448 0.030 1 512 52 52 LEU HB2 H 2.036 0.030 2 513 52 52 LEU HB3 H 1.591 0.030 2 514 52 52 LEU HD1 H 1.032 0.030 1 515 52 52 LEU HD2 H 0.701 0.030 1 516 52 52 LEU HG H 1.677 0.030 1 517 52 52 LEU C C 177.614 0.300 1 518 52 52 LEU CA C 55.155 0.300 1 519 52 52 LEU CB C 40.030 0.300 1 520 52 52 LEU CD1 C 25.106 0.300 2 521 52 52 LEU CD2 C 23.794 0.300 2 522 52 52 LEU CG C 26.789 0.300 1 523 52 52 LEU N N 121.817 0.300 1 524 53 53 GLU H H 8.632 0.030 1 525 53 53 GLU HA H 3.752 0.030 1 526 53 53 GLU HB2 H 1.777 0.030 2 527 53 53 GLU HB3 H 1.228 0.030 2 528 53 53 GLU HG2 H 2.225 0.030 2 529 53 53 GLU HG3 H 1.721 0.030 2 530 53 53 GLU C C 178.654 0.300 1 531 53 53 GLU CA C 60.432 0.300 1 532 53 53 GLU CB C 29.322 0.300 1 533 53 53 GLU CG C 35.740 0.300 1 534 53 53 GLU N N 126.804 0.300 1 535 54 54 GLU H H 8.938 0.030 1 536 54 54 GLU HA H 4.134 0.030 1 537 54 54 GLU HB2 H 2.149 0.030 2 538 54 54 GLU HB3 H 1.895 0.030 2 539 54 54 GLU HG2 H 2.294 0.030 2 540 54 54 GLU HG3 H 2.234 0.030 2 541 54 54 GLU C C 177.429 0.300 1 542 54 54 GLU CA C 59.046 0.300 1 543 54 54 GLU CB C 29.965 0.300 1 544 54 54 GLU CG C 36.030 0.300 1 545 54 54 GLU N N 115.238 0.300 1 546 55 55 ASP H H 6.475 0.030 1 547 55 55 ASP HA H 4.360 0.030 1 548 55 55 ASP HB2 H 2.752 0.030 2 549 55 55 ASP HB3 H 2.311 0.030 2 550 55 55 ASP C C 175.457 0.300 1 551 55 55 ASP CA C 53.129 0.300 1 552 55 55 ASP CB C 42.245 0.300 1 553 55 55 ASP N N 112.309 0.300 1 554 56 56 GLY H H 7.445 0.030 1 555 56 56 GLY HA2 H 2.628 0.030 2 556 56 56 GLY HA3 H 2.410 0.030 2 557 56 56 GLY C C 173.918 0.300 1 558 56 56 GLY CA C 45.057 0.300 1 559 56 56 GLY N N 108.984 0.300 1 560 57 57 THR H H 7.748 0.030 1 561 57 57 THR HA H 3.621 0.030 1 562 57 57 THR HB H 3.909 0.030 1 563 57 57 THR HG2 H 1.090 0.030 1 564 57 57 THR C C 174.418 0.300 1 565 57 57 THR CA C 64.910 0.300 1 566 57 57 THR CB C 69.044 0.300 1 567 57 57 THR CG2 C 20.851 0.300 1 568 57 57 THR N N 117.788 0.300 1 569 58 58 VAL H H 8.548 0.030 1 570 58 58 VAL HA H 3.960 0.030 1 571 58 58 VAL HB H 1.951 0.030 1 572 58 58 VAL HG1 H 1.030 0.030 1 573 58 58 VAL HG2 H 0.890 0.030 1 574 58 58 VAL C C 175.001 0.300 1 575 58 58 VAL CA C 64.146 0.300 1 576 58 58 VAL CB C 32.264 0.300 1 577 58 58 VAL CG1 C 22.114 0.300 2 578 58 58 VAL CG2 C 21.351 0.300 2 579 58 58 VAL N N 128.137 0.300 1 580 59 59 VAL H H 8.826 0.030 1 581 59 59 VAL HA H 4.346 0.030 1 582 59 59 VAL HB H 2.104 0.030 1 583 59 59 VAL HG1 H 1.058 0.030 1 584 59 59 VAL HG2 H 1.102 0.030 1 585 59 59 VAL C C 174.252 0.300 1 586 59 59 VAL CA C 61.499 0.300 1 587 59 59 VAL CB C 31.189 0.300 1 588 59 59 VAL CG1 C 21.664 0.300 2 589 59 59 VAL CG2 C 20.185 0.300 2 590 59 59 VAL N N 128.641 0.300 1 591 60 60 ASP H H 8.584 0.030 1 592 60 60 ASP HA H 4.810 0.030 1 593 60 60 ASP HB2 H 3.026 0.030 2 594 60 60 ASP HB3 H 2.450 0.030 2 595 60 60 ASP C C 176.050 0.300 1 596 60 60 ASP CA C 52.999 0.300 1 597 60 60 ASP CB C 41.434 0.300 1 598 60 60 ASP N N 120.821 0.300 1 599 61 61 THR H H 7.389 0.030 1 600 61 61 THR HA H 4.883 0.030 1 601 61 61 THR HB H 4.667 0.030 1 602 61 61 THR HG2 H 1.321 0.030 1 603 61 61 THR C C 174.240 0.300 1 604 61 61 THR CA C 58.922 0.300 1 605 61 61 THR CB C 72.972 0.300 1 606 61 61 THR CG2 C 21.892 0.300 1 607 61 61 THR N N 107.891 0.300 1 608 62 62 GLU H H 9.104 0.030 1 609 62 62 GLU HA H 4.413 0.030 1 610 62 62 GLU HB2 H 2.058 0.030 1 611 62 62 GLU HB3 H 2.058 0.030 1 612 62 62 GLU HG2 H 2.486 0.030 2 613 62 62 GLU HG3 H 2.413 0.030 2 614 62 62 GLU C C 178.690 0.300 1 615 62 62 GLU CA C 58.142 0.300 1 616 62 62 GLU CB C 29.326 0.300 1 617 62 62 GLU CG C 34.559 0.300 1 618 62 62 GLU N N 125.427 0.300 1 619 63 63 GLU H H 9.038 0.030 1 620 63 63 GLU HA H 4.009 0.030 1 621 63 63 GLU HB2 H 2.132 0.030 2 622 63 63 GLU HB3 H 1.982 0.030 2 623 63 63 GLU HG2 H 2.497 0.030 2 624 63 63 GLU HG3 H 2.328 0.030 2 625 63 63 GLU C C 178.848 0.300 1 626 63 63 GLU CA C 60.414 0.300 1 627 63 63 GLU CB C 28.901 0.300 1 628 63 63 GLU CG C 36.966 0.300 1 629 63 63 GLU N N 117.087 0.300 1 630 64 64 PHE H H 7.951 0.030 1 631 64 64 PHE HA H 4.685 0.030 1 632 64 64 PHE HB2 H 3.282 0.030 2 633 64 64 PHE HB3 H 3.120 0.030 2 634 64 64 PHE HD1 H 7.318 0.030 1 635 64 64 PHE HD2 H 7.318 0.030 1 636 64 64 PHE HE1 H 7.316 0.030 1 637 64 64 PHE HE2 H 7.316 0.030 1 638 64 64 PHE HZ H 7.270 0.030 1 639 64 64 PHE C C 179.310 0.300 1 640 64 64 PHE CA C 59.655 0.300 1 641 64 64 PHE CB C 39.718 0.300 1 642 64 64 PHE CD1 C 131.143 0.300 1 643 64 64 PHE CD2 C 131.143 0.300 1 644 64 64 PHE CE1 C 131.148 0.300 1 645 64 64 PHE CE2 C 131.148 0.300 1 646 64 64 PHE CZ C 129.523 0.300 1 647 64 64 PHE N N 118.850 0.300 1 648 65 65 PHE H H 8.380 0.030 1 649 65 65 PHE HA H 3.880 0.030 1 650 65 65 PHE HB2 H 3.453 0.030 2 651 65 65 PHE HB3 H 2.951 0.030 2 652 65 65 PHE HD1 H 6.865 0.030 1 653 65 65 PHE HD2 H 6.865 0.030 1 654 65 65 PHE HE1 H 6.537 0.030 1 655 65 65 PHE HE2 H 6.537 0.030 1 656 65 65 PHE HZ H 6.580 0.030 1 657 65 65 PHE C C 176.597 0.300 1 658 65 65 PHE CA C 61.660 0.300 1 659 65 65 PHE CB C 39.734 0.300 1 660 65 65 PHE CD1 C 131.180 0.300 1 661 65 65 PHE CD2 C 131.180 0.300 1 662 65 65 PHE CE1 C 130.320 0.300 1 663 65 65 PHE CE2 C 130.320 0.300 1 664 65 65 PHE CZ C 130.278 0.300 1 665 65 65 PHE N N 121.945 0.300 1 666 66 66 GLN H H 8.267 0.030 1 667 66 66 GLN HA H 3.906 0.030 1 668 66 66 GLN HB2 H 2.348 0.030 2 669 66 66 GLN HB3 H 2.063 0.030 2 670 66 66 GLN HE21 H 8.471 0.030 2 671 66 66 GLN HE22 H 6.884 0.030 2 672 66 66 GLN HG2 H 2.870 0.030 2 673 66 66 GLN HG3 H 2.777 0.030 2 674 66 66 GLN C C 176.952 0.300 1 675 66 66 GLN CA C 57.518 0.300 1 676 66 66 GLN CB C 27.868 0.300 1 677 66 66 GLN CG C 33.222 0.300 1 678 66 66 GLN N N 114.078 0.300 1 679 66 66 GLN NE2 N 112.848 0.300 1 680 67 67 THR H H 7.611 0.030 1 681 67 67 THR HA H 4.290 0.030 1 682 67 67 THR HB H 4.286 0.030 1 683 67 67 THR HG2 H 1.392 0.030 1 684 67 67 THR C C 174.907 0.300 1 685 67 67 THR CA C 62.534 0.300 1 686 67 67 THR CB C 70.105 0.300 1 687 67 67 THR CG2 C 21.422 0.300 1 688 67 67 THR N N 108.974 0.300 1 689 68 68 LEU H H 7.265 0.030 1 690 68 68 LEU HA H 4.218 0.030 1 691 68 68 LEU HB2 H 1.755 0.030 2 692 68 68 LEU HB3 H 1.445 0.030 2 693 68 68 LEU HD1 H 0.912 0.030 1 694 68 68 LEU HD2 H 0.589 0.030 1 695 68 68 LEU HG H 1.542 0.030 1 696 68 68 LEU C C 178.133 0.300 1 697 68 68 LEU CA C 54.379 0.300 1 698 68 68 LEU CB C 40.693 0.300 1 699 68 68 LEU CD1 C 27.781 0.300 2 700 68 68 LEU CD2 C 21.789 0.300 2 701 68 68 LEU CG C 25.743 0.300 1 702 68 68 LEU N N 123.049 0.300 1 703 69 69 GLY H H 8.582 0.030 1 704 69 69 GLY HA2 H 4.104 0.030 2 705 69 69 GLY HA3 H 3.770 0.030 2 706 69 69 GLY C C 174.237 0.300 1 707 69 69 GLY CA C 44.343 0.300 1 708 69 69 GLY N N 108.271 0.300 1 709 70 70 ASP H H 8.709 0.030 1 710 70 70 ASP HA H 3.907 0.030 1 711 70 70 ASP HB2 H 2.493 0.030 2 712 70 70 ASP HB3 H 2.343 0.030 2 713 70 70 ASP C C 176.673 0.300 1 714 70 70 ASP CA C 55.626 0.300 1 715 70 70 ASP CB C 39.947 0.300 1 716 70 70 ASP N N 121.958 0.300 1 717 71 71 ASN H H 9.452 0.030 1 718 71 71 ASN HA H 4.064 0.030 1 719 71 71 ASN HB2 H 2.940 0.030 2 720 71 71 ASN HB3 H 2.862 0.030 2 721 71 71 ASN HD21 H 7.528 0.030 2 722 71 71 ASN HD22 H 6.894 0.030 2 723 71 71 ASN C C 174.603 0.300 1 724 71 71 ASN CA C 55.093 0.300 1 725 71 71 ASN CB C 37.271 0.300 1 726 71 71 ASN N N 115.107 0.300 1 727 71 71 ASN ND2 N 113.636 0.300 1 728 72 72 THR H H 7.537 0.030 1 729 72 72 THR HA H 3.915 0.030 1 730 72 72 THR HB H 3.984 0.030 1 731 72 72 THR HG2 H 0.524 0.030 1 732 72 72 THR C C 171.372 0.300 1 733 72 72 THR CA C 66.682 0.300 1 734 72 72 THR CB C 69.205 0.300 1 735 72 72 THR CG2 C 22.634 0.300 1 736 72 72 THR N N 116.659 0.300 1 737 73 73 HIS H H 8.636 0.030 1 738 73 73 HIS HA H 5.517 0.030 1 739 73 73 HIS HB2 H 3.547 0.030 2 740 73 73 HIS HB3 H 2.977 0.030 2 741 73 73 HIS HD2 H 7.257 0.030 1 742 73 73 HIS HE1 H 7.781 0.030 1 743 73 73 HIS C C 175.036 0.300 1 744 73 73 HIS CA C 52.915 0.300 1 745 73 73 HIS CB C 30.580 0.300 1 746 73 73 HIS CD2 C 124.019 0.300 1 747 73 73 HIS CE1 C 137.407 0.300 1 748 73 73 HIS N N 125.867 0.300 1 749 74 74 PHE H H 9.948 0.030 1 750 74 74 PHE HA H 5.595 0.030 1 751 74 74 PHE HB2 H 3.291 0.030 2 752 74 74 PHE HB3 H 2.942 0.030 2 753 74 74 PHE HD1 H 7.152 0.030 1 754 74 74 PHE HD2 H 7.152 0.030 1 755 74 74 PHE HE1 H 7.021 0.030 1 756 74 74 PHE HE2 H 7.021 0.030 1 757 74 74 PHE HZ H 6.703 0.030 1 758 74 74 PHE C C 174.882 0.300 1 759 74 74 PHE CA C 56.880 0.300 1 760 74 74 PHE CB C 43.714 0.300 1 761 74 74 PHE CD1 C 131.614 0.300 1 762 74 74 PHE CD2 C 131.614 0.300 1 763 74 74 PHE CE1 C 131.412 0.300 1 764 74 74 PHE CE2 C 131.412 0.300 1 765 74 74 PHE CZ C 128.471 0.300 1 766 74 74 PHE N N 126.452 0.300 1 767 75 75 MET H H 9.888 0.030 1 768 75 75 MET HA H 5.483 0.030 1 769 75 75 MET HB2 H 1.901 0.030 2 770 75 75 MET HB3 H 1.773 0.030 2 771 75 75 MET HE H 2.159 0.030 1 772 75 75 MET HG2 H 2.189 0.030 2 773 75 75 MET HG3 H 2.124 0.030 2 774 75 75 MET C C 173.584 0.300 1 775 75 75 MET CA C 53.793 0.300 1 776 75 75 MET CB C 37.998 0.300 1 777 75 75 MET CE C 16.522 0.300 1 778 75 75 MET CG C 30.549 0.300 1 779 75 75 MET N N 122.088 0.300 1 780 76 76 ILE H H 8.594 0.030 1 781 76 76 ILE HA H 5.148 0.030 1 782 76 76 ILE HB H 1.421 0.030 1 783 76 76 ILE HD1 H 0.769 0.030 1 784 76 76 ILE HG12 H 1.343 0.030 2 785 76 76 ILE HG13 H 1.002 0.030 2 786 76 76 ILE HG2 H 0.875 0.030 1 787 76 76 ILE C C 173.022 0.300 1 788 76 76 ILE CA C 57.189 0.300 1 789 76 76 ILE CB C 41.681 0.300 1 790 76 76 ILE CD1 C 14.572 0.300 1 791 76 76 ILE CG1 C 29.372 0.300 1 792 76 76 ILE CG2 C 17.280 0.300 1 793 76 76 ILE N N 124.538 0.300 1 794 77 77 LEU H H 9.141 0.030 1 795 77 77 LEU HA H 4.831 0.030 1 796 77 77 LEU HB2 H 1.875 0.030 2 797 77 77 LEU HB3 H 1.359 0.030 2 798 77 77 LEU HD1 H 0.954 0.030 1 799 77 77 LEU HD2 H 0.804 0.030 1 800 77 77 LEU HG H 1.541 0.030 1 801 77 77 LEU C C 177.478 0.300 1 802 77 77 LEU CA C 53.147 0.300 1 803 77 77 LEU CB C 43.517 0.300 1 804 77 77 LEU CD1 C 27.021 0.300 2 805 77 77 LEU CD2 C 24.013 0.300 2 806 77 77 LEU CG C 26.328 0.300 1 807 77 77 LEU N N 127.413 0.300 1 808 78 78 GLU H H 8.357 0.030 1 809 78 78 GLU HA H 4.492 0.030 1 810 78 78 GLU HB2 H 2.230 0.030 2 811 78 78 GLU HB3 H 1.429 0.030 2 812 78 78 GLU HG2 H 2.121 0.030 2 813 78 78 GLU HG3 H 1.990 0.030 2 814 78 78 GLU C C 175.798 0.300 1 815 78 78 GLU CA C 55.309 0.300 1 816 78 78 GLU CB C 31.505 0.300 1 817 78 78 GLU CG C 38.138 0.300 1 818 78 78 GLU N N 123.172 0.300 1 819 79 79 LYS H H 8.495 0.030 1 820 79 79 LYS HA H 3.973 0.030 1 821 79 79 LYS HB2 H 1.837 0.030 2 822 79 79 LYS HB3 H 1.779 0.030 2 823 79 79 LYS HD2 H 1.698 0.030 1 824 79 79 LYS HD3 H 1.698 0.030 1 825 79 79 LYS HE2 H 2.978 0.030 1 826 79 79 LYS HE3 H 2.978 0.030 1 827 79 79 LYS HG2 H 1.459 0.030 2 828 79 79 LYS HG3 H 1.363 0.030 2 829 79 79 LYS C C 177.679 0.300 1 830 79 79 LYS CA C 58.689 0.300 1 831 79 79 LYS CB C 32.030 0.300 1 832 79 79 LYS CD C 29.385 0.300 1 833 79 79 LYS CE C 42.053 0.300 1 834 79 79 LYS CG C 24.499 0.300 1 835 79 79 LYS N N 121.686 0.300 1 836 80 80 GLY H H 8.840 0.030 1 837 80 80 GLY HA2 H 4.238 0.030 2 838 80 80 GLY HA3 H 3.650 0.030 2 839 80 80 GLY C C 174.524 0.300 1 840 80 80 GLY CA C 45.093 0.300 1 841 80 80 GLY N N 114.351 0.300 1 842 81 81 GLN H H 8.057 0.030 1 843 81 81 GLN HA H 4.402 0.030 1 844 81 81 GLN HB2 H 2.271 0.030 2 845 81 81 GLN HB3 H 1.584 0.030 2 846 81 81 GLN HE21 H 7.343 0.030 2 847 81 81 GLN HE22 H 6.577 0.030 2 848 81 81 GLN HG2 H 1.809 0.030 2 849 81 81 GLN HG3 H 1.996 0.030 2 850 81 81 GLN C C 175.019 0.300 1 851 81 81 GLN CA C 54.747 0.300 1 852 81 81 GLN CB C 29.263 0.300 1 853 81 81 GLN CG C 32.693 0.300 1 854 81 81 GLN N N 119.499 0.300 1 855 81 81 GLN NE2 N 112.540 0.300 1 856 82 82 LYS H H 8.544 0.030 1 857 82 82 LYS HA H 4.792 0.030 1 858 82 82 LYS HB2 H 1.837 0.030 2 859 82 82 LYS HB3 H 1.729 0.030 2 860 82 82 LYS HD2 H 1.695 0.030 1 861 82 82 LYS HD3 H 1.695 0.030 1 862 82 82 LYS HE2 H 3.025 0.030 1 863 82 82 LYS HE3 H 3.025 0.030 1 864 82 82 LYS HG2 H 1.441 0.030 2 865 82 82 LYS HG3 H 1.343 0.030 2 866 82 82 LYS C C 175.423 0.300 1 867 82 82 LYS CA C 54.622 0.300 1 868 82 82 LYS CB C 35.809 0.300 1 869 82 82 LYS CD C 29.239 0.300 1 870 82 82 LYS CE C 42.201 0.300 1 871 82 82 LYS CG C 24.093 0.300 1 872 82 82 LYS N N 119.438 0.300 1 873 83 83 TRP H H 9.031 0.030 1 874 83 83 TRP HA H 4.188 0.030 1 875 83 83 TRP HB2 H 3.317 0.030 2 876 83 83 TRP HB3 H 3.087 0.030 2 877 83 83 TRP HD1 H 7.424 0.030 1 878 83 83 TRP HE1 H 10.049 0.030 1 879 83 83 TRP HE3 H 7.341 0.030 1 880 83 83 TRP HH2 H 7.121 0.030 1 881 83 83 TRP HZ2 H 7.182 0.030 1 882 83 83 TRP HZ3 H 6.989 0.030 1 883 83 83 TRP C C 174.724 0.300 1 884 83 83 TRP CA C 60.043 0.300 1 885 83 83 TRP CB C 29.059 0.300 1 886 83 83 TRP CD1 C 126.804 0.300 1 887 83 83 TRP CE3 C 120.311 0.300 1 888 83 83 TRP CH2 C 124.058 0.300 1 889 83 83 TRP CZ2 C 113.581 0.300 1 890 83 83 TRP CZ3 C 121.532 0.300 1 891 83 83 TRP N N 124.224 0.300 1 892 83 83 TRP NE1 N 129.720 0.300 1 893 84 84 MET H H 6.649 0.030 1 894 84 84 MET HA H 4.168 0.030 1 895 84 84 MET HB2 H 1.716 0.030 2 896 84 84 MET HB3 H 1.569 0.030 2 897 84 84 MET HE H 2.039 0.030 1 898 84 84 MET HG2 H 2.388 0.030 2 899 84 84 MET HG3 H 2.359 0.030 2 900 84 84 MET C C 171.816 0.300 1 901 84 84 MET CA C 51.855 0.300 1 902 84 84 MET CB C 34.247 0.300 1 903 84 84 MET CE C 17.028 0.300 1 904 84 84 MET CG C 31.890 0.300 1 905 84 84 MET N N 126.192 0.300 1 906 85 85 PRO HA H 3.970 0.030 1 907 85 85 PRO HB2 H 2.362 0.030 2 908 85 85 PRO HB3 H 1.835 0.030 2 909 85 85 PRO HD2 H 3.087 0.030 2 910 85 85 PRO HD3 H 3.261 0.030 2 911 85 85 PRO HG2 H 2.000 0.030 2 912 85 85 PRO HG3 H 1.851 0.030 2 913 85 85 PRO C C 176.485 0.300 1 914 85 85 PRO CA C 62.130 0.300 1 915 85 85 PRO CB C 32.085 0.300 1 916 85 85 PRO CD C 49.892 0.300 1 917 85 85 PRO CG C 26.777 0.300 1 918 86 86 SER H H 8.428 0.030 1 919 86 86 SER HA H 4.092 0.030 1 920 86 86 SER HB2 H 3.819 0.030 2 921 86 86 SER HB3 H 3.687 0.030 2 922 86 86 SER C C 174.782 0.300 1 923 86 86 SER CA C 58.657 0.300 1 924 86 86 SER CB C 63.501 0.300 1 925 86 86 SER N N 116.303 0.300 1 926 87 87 GLY H H 8.189 0.030 1 927 87 87 GLY HA2 H 4.032 0.030 2 928 87 87 GLY HA3 H 4.173 0.030 2 929 87 87 GLY C C 171.781 0.300 1 930 87 87 GLY CA C 44.648 0.300 1 931 87 87 GLY N N 110.607 0.300 1 932 88 88 PRO HA H 4.469 0.030 1 933 88 88 PRO HB2 H 2.284 0.030 2 934 88 88 PRO HB3 H 1.956 0.030 2 935 88 88 PRO HD2 H 3.610 0.030 1 936 88 88 PRO HD3 H 3.610 0.030 1 937 88 88 PRO HG2 H 2.007 0.030 1 938 88 88 PRO HG3 H 2.007 0.030 1 939 88 88 PRO C C 177.371 0.300 1 940 88 88 PRO CA C 63.138 0.300 1 941 88 88 PRO CB C 32.262 0.300 1 942 88 88 PRO CD C 49.697 0.300 1 943 88 88 PRO CG C 27.040 0.300 1 944 89 89 SER H H 8.514 0.030 1 945 89 89 SER HA H 4.502 0.030 1 946 89 89 SER HB2 H 3.897 0.030 1 947 89 89 SER HB3 H 3.897 0.030 1 948 89 89 SER C C 174.679 0.300 1 949 89 89 SER CA C 58.310 0.300 1 950 89 89 SER CB C 63.803 0.300 1 951 89 89 SER N N 116.469 0.300 1 952 90 90 SER H H 8.333 0.030 1 953 90 90 SER HA H 4.502 0.030 1 954 90 90 SER HB2 H 3.906 0.030 1 955 90 90 SER HB3 H 3.906 0.030 1 956 90 90 SER C C 173.935 0.300 1 957 90 90 SER CA C 58.343 0.300 1 958 90 90 SER CB C 64.091 0.300 1 959 90 90 SER N N 117.920 0.300 1 960 91 91 GLY H H 8.045 0.030 1 961 91 91 GLY HA2 H 3.754 0.030 1 962 91 91 GLY HA3 H 3.754 0.030 1 963 91 91 GLY C C 178.995 0.300 1 964 91 91 GLY CA C 46.280 0.300 1 965 91 91 GLY N N 116.889 0.300 1 stop_ save_