data_11276 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the CUE Domain in the Human CUE Domain Containing Protein 1 (CUEDC1) ; _BMRB_accession_number 11276 _BMRB_flat_file_name bmr11276.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 Sato M. . . 4 Koshiba S. . . 5 Inoue M. . . 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" 343 "13C chemical shifts" 261 "15N chemical shifts" 64 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 CUE Domain Containing Protein 1 (CUEDC1) ; _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 Sato M. . . 4 Koshiba S. . . 5 Inoue M. . . 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 'CUE domain-containing protein 1' _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 67 _Mol_residue_sequence ; GSSGSSGRPARQVRRLEFNQ AMDDFKTMFPNMDYDIIECV LRANSGAVDATIDQLLQMNL ESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 PRO 10 ALA 11 ARG 12 GLN 13 VAL 14 ARG 15 ARG 16 LEU 17 GLU 18 PHE 19 ASN 20 GLN 21 ALA 22 MET 23 ASP 24 ASP 25 PHE 26 LYS 27 THR 28 MET 29 PHE 30 PRO 31 ASN 32 MET 33 ASP 34 TYR 35 ASP 36 ILE 37 ILE 38 GLU 39 CYS 40 VAL 41 LEU 42 ARG 43 ALA 44 ASN 45 SER 46 GLY 47 ALA 48 VAL 49 ASP 50 ALA 51 THR 52 ILE 53 ASP 54 GLN 55 LEU 56 LEU 57 GLN 58 MET 59 ASN 60 LEU 61 GLU 62 SER 63 GLY 64 PRO 65 SER 66 SER 67 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-27 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 2DHY "Solution Structure Of The Cue Domain In The Human Cue Domain Containing Protein 1 (Cuedc1)" 100.00 67 100.00 100.00 1.41e-40 DBJ BAE36984 "unnamed protein product [Mus musculus]" 62.69 267 97.62 100.00 7.48e-20 GB EDL15842 "CUE domain containing 1 [Mus musculus]" 83.58 409 98.21 100.00 2.47e-30 GB EGV99583 "CUE domain-containing protein 1 [Cricetulus griseus]" 62.69 334 97.62 100.00 6.42e-20 GB EHB16284 "CUE domain-containing protein 1 [Heterocephalus glaber]" 83.58 416 98.21 98.21 2.88e-29 GB ELK01705 "CUE domain-containing protein 1 [Pteropus alecto]" 62.69 281 97.62 97.62 1.31e-19 GB ELK35932 "CUE domain-containing protein 1 [Myotis davidii]" 62.69 314 97.62 97.62 1.72e-19 REF XP_002748438 "PREDICTED: CUE domain-containing protein 1 [Callithrix jacchus]" 83.58 386 98.21 98.21 1.40e-29 REF XP_003795613 "PREDICTED: CUE domain-containing protein 1 [Otolemur garnettii]" 83.58 387 98.21 98.21 8.54e-30 REF XP_004329673 "PREDICTED: CUE domain-containing protein 1-like, partial [Tursiops truncatus]" 83.58 413 98.21 100.00 3.87e-30 REF XP_004645329 "PREDICTED: CUE domain-containing protein 1 isoform X1 [Octodon degus]" 83.58 384 98.21 98.21 6.12e-30 REF XP_004645330 "PREDICTED: CUE domain-containing protein 1 isoform X2 [Octodon degus]" 83.58 381 98.21 98.21 6.42e-30 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 P050905-16 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.40mM CUE domain U-15N, {13C;} 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 0.40 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 700 _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 7 7 GLY HA2 H 3.945 0.030 1 2 7 7 GLY HA3 H 3.945 0.030 1 3 7 7 GLY C C 173.737 0.300 1 4 7 7 GLY CA C 45.240 0.300 1 5 8 8 ARG H H 8.118 0.030 1 6 8 8 ARG HA H 4.622 0.030 1 7 8 8 ARG HB2 H 1.814 0.030 2 8 8 8 ARG HB3 H 1.725 0.030 2 9 8 8 ARG HD2 H 3.185 0.030 2 10 8 8 ARG HG2 H 1.637 0.030 2 11 8 8 ARG C C 174.221 0.300 1 12 8 8 ARG CA C 54.071 0.300 1 13 8 8 ARG CB C 30.181 0.300 1 14 8 8 ARG CD C 43.418 0.300 1 15 8 8 ARG CG C 26.876 0.300 1 16 8 8 ARG N N 121.530 0.300 1 17 9 9 PRO HA H 4.404 0.030 1 18 9 9 PRO HB2 H 1.870 0.030 2 19 9 9 PRO HB3 H 2.300 0.030 2 20 9 9 PRO HD2 H 3.602 0.030 2 21 9 9 PRO HD3 H 3.818 0.030 2 22 9 9 PRO HG2 H 1.997 0.030 1 23 9 9 PRO HG3 H 1.997 0.030 1 24 9 9 PRO C C 176.644 0.300 1 25 9 9 PRO CA C 63.079 0.300 1 26 9 9 PRO CB C 32.176 0.300 1 27 9 9 PRO CD C 50.609 0.300 1 28 9 9 PRO CG C 27.548 0.300 1 29 10 10 ALA H H 8.445 0.030 1 30 10 10 ALA HA H 4.269 0.030 1 31 10 10 ALA HB H 1.388 0.030 1 32 10 10 ALA C C 177.856 0.300 1 33 10 10 ALA CA C 52.523 0.300 1 34 10 10 ALA CB C 19.348 0.300 1 35 10 10 ALA N N 124.769 0.300 1 36 11 11 ARG H H 8.313 0.030 1 37 11 11 ARG HA H 4.298 0.030 1 38 11 11 ARG HB2 H 1.768 0.030 2 39 11 11 ARG HB3 H 1.838 0.030 2 40 11 11 ARG HD2 H 3.177 0.030 1 41 11 11 ARG HD3 H 3.177 0.030 1 42 11 11 ARG HG2 H 1.644 0.030 2 43 11 11 ARG HG3 H 1.587 0.030 2 44 11 11 ARG C C 176.160 0.300 1 45 11 11 ARG CA C 56.112 0.300 1 46 11 11 ARG CB C 30.899 0.300 1 47 11 11 ARG CD C 43.412 0.300 1 48 11 11 ARG CG C 27.101 0.300 1 49 11 11 ARG N N 120.097 0.300 1 50 12 12 GLN H H 8.401 0.030 1 51 12 12 GLN HA H 4.377 0.030 1 52 12 12 GLN HB2 H 1.945 0.030 2 53 12 12 GLN HB3 H 2.044 0.030 2 54 12 12 GLN HE21 H 6.885 0.030 2 55 12 12 GLN HE22 H 7.549 0.030 2 56 12 12 GLN HG2 H 2.340 0.030 2 57 12 12 GLN C C 175.796 0.300 1 58 12 12 GLN CA C 55.725 0.300 1 59 12 12 GLN CB C 29.559 0.300 1 60 12 12 GLN CG C 33.821 0.300 1 61 12 12 GLN N N 122.305 0.300 1 62 12 12 GLN NE2 N 112.431 0.300 1 63 13 13 VAL H H 8.250 0.030 1 64 13 13 VAL HA H 4.076 0.030 1 65 13 13 VAL HB H 2.033 0.030 1 66 13 13 VAL HG1 H 0.910 0.030 1 67 13 13 VAL C C 175.990 0.300 1 68 13 13 VAL CA C 62.516 0.300 1 69 13 13 VAL CB C 32.752 0.300 1 70 13 13 VAL CG1 C 21.068 0.300 2 71 13 13 VAL N N 122.311 0.300 1 72 14 14 ARG H H 8.465 0.030 1 73 14 14 ARG HA H 4.347 0.030 1 74 14 14 ARG HB2 H 1.763 0.030 2 75 14 14 ARG HB3 H 1.837 0.030 2 76 14 14 ARG HD2 H 3.179 0.030 2 77 14 14 ARG HG2 H 1.640 0.030 2 78 14 14 ARG C C 176.038 0.300 1 79 14 14 ARG CA C 56.042 0.300 1 80 14 14 ARG CB C 31.271 0.300 1 81 14 14 ARG CD C 43.412 0.300 1 82 14 14 ARG CG C 27.242 0.300 1 83 14 14 ARG N N 125.214 0.300 1 84 15 15 ARG H H 8.409 0.030 1 85 15 15 ARG HA H 4.308 0.030 1 86 15 15 ARG HB2 H 1.762 0.030 2 87 15 15 ARG HB3 H 1.836 0.030 2 88 15 15 ARG HD2 H 3.180 0.030 2 89 15 15 ARG HG2 H 1.583 0.030 2 90 15 15 ARG HG3 H 1.645 0.030 2 91 15 15 ARG C C 176.281 0.300 1 92 15 15 ARG CA C 56.569 0.300 1 93 15 15 ARG CB C 30.860 0.300 1 94 15 15 ARG CD C 43.278 0.300 1 95 15 15 ARG CG C 27.078 0.300 1 96 15 15 ARG N N 122.915 0.300 1 97 16 16 LEU H H 8.330 0.030 1 98 16 16 LEU HA H 4.319 0.030 1 99 16 16 LEU HB2 H 1.538 0.030 2 100 16 16 LEU HB3 H 1.626 0.030 2 101 16 16 LEU HD1 H 0.893 0.030 1 102 16 16 LEU HD2 H 0.851 0.030 1 103 16 16 LEU HG H 1.594 0.030 1 104 16 16 LEU C C 177.613 0.300 1 105 16 16 LEU CA C 55.725 0.300 1 106 16 16 LEU CB C 42.639 0.300 1 107 16 16 LEU CD1 C 25.022 0.300 2 108 16 16 LEU CD2 C 23.591 0.300 2 109 16 16 LEU CG C 27.101 0.300 1 110 16 16 LEU N N 122.933 0.300 1 111 17 17 GLU H H 8.407 0.030 1 112 17 17 GLU HA H 4.253 0.030 1 113 17 17 GLU HB2 H 1.966 0.030 2 114 17 17 GLU HB3 H 2.070 0.030 2 115 17 17 GLU HG2 H 2.270 0.030 1 116 17 17 GLU HG3 H 2.270 0.030 1 117 17 17 GLU C C 176.983 0.300 1 118 17 17 GLU CA C 57.167 0.300 1 119 17 17 GLU CB C 30.006 0.300 1 120 17 17 GLU CG C 36.370 0.300 1 121 17 17 GLU N N 120.839 0.300 1 122 18 18 PHE H H 8.413 0.030 1 123 18 18 PHE HA H 4.316 0.030 1 124 18 18 PHE HB2 H 3.114 0.030 1 125 18 18 PHE HB3 H 3.114 0.030 1 126 18 18 PHE HD1 H 7.176 0.030 1 127 18 18 PHE HD2 H 7.176 0.030 1 128 18 18 PHE HE1 H 7.235 0.030 1 129 18 18 PHE HE2 H 7.235 0.030 1 130 18 18 PHE HZ H 7.228 0.030 1 131 18 18 PHE C C 176.087 0.300 1 132 18 18 PHE CA C 60.158 0.300 1 133 18 18 PHE CB C 39.532 0.300 1 134 18 18 PHE CD1 C 131.825 0.300 1 135 18 18 PHE CD2 C 131.825 0.300 1 136 18 18 PHE CE1 C 131.238 0.300 1 137 18 18 PHE CE2 C 131.238 0.300 1 138 18 18 PHE CZ C 129.665 0.300 1 139 18 18 PHE N N 122.199 0.300 1 140 19 19 ASN H H 8.487 0.030 1 141 19 19 ASN HA H 4.412 0.030 1 142 19 19 ASN HB2 H 2.834 0.030 1 143 19 19 ASN HB3 H 2.834 0.030 1 144 19 19 ASN HD21 H 6.955 0.030 2 145 19 19 ASN HD22 H 7.706 0.030 2 146 19 19 ASN C C 176.620 0.300 1 147 19 19 ASN CA C 55.267 0.300 1 148 19 19 ASN CB C 38.261 0.300 1 149 19 19 ASN N N 117.969 0.300 1 150 19 19 ASN ND2 N 112.487 0.300 1 151 20 20 GLN H H 8.080 0.030 1 152 20 20 GLN HA H 4.097 0.030 1 153 20 20 GLN HB2 H 2.071 0.030 2 154 20 20 GLN HB3 H 2.126 0.030 2 155 20 20 GLN HE21 H 6.874 0.030 2 156 20 20 GLN HE22 H 7.660 0.030 2 157 20 20 GLN HG2 H 2.392 0.030 2 158 20 20 GLN C C 177.032 0.300 1 159 20 20 GLN CA C 57.906 0.300 1 160 20 20 GLN CB C 28.888 0.300 1 161 20 20 GLN CG C 34.028 0.300 1 162 20 20 GLN N N 120.416 0.300 1 163 20 20 GLN NE2 N 113.604 0.300 1 164 21 21 ALA H H 8.100 0.030 1 165 21 21 ALA HA H 4.037 0.030 1 166 21 21 ALA HB H 1.323 0.030 1 167 21 21 ALA C C 179.140 0.300 1 168 21 21 ALA CA C 54.458 0.300 1 169 21 21 ALA CB C 18.133 0.300 1 170 21 21 ALA N N 122.298 0.300 1 171 22 22 MET H H 8.094 0.030 1 172 22 22 MET HA H 4.389 0.030 1 173 22 22 MET HB2 H 1.975 0.030 2 174 22 22 MET HB3 H 2.099 0.030 2 175 22 22 MET HE H 1.742 0.030 1 176 22 22 MET HG2 H 2.188 0.030 2 177 22 22 MET HG3 H 2.497 0.030 2 178 22 22 MET C C 178.364 0.300 1 179 22 22 MET CA C 56.851 0.300 1 180 22 22 MET CB C 30.860 0.300 1 181 22 22 MET CE C 16.062 0.300 1 182 22 22 MET CG C 32.017 0.300 1 183 22 22 MET N N 116.031 0.300 1 184 23 23 ASP H H 7.917 0.030 1 185 23 23 ASP HA H 4.440 0.030 1 186 23 23 ASP HB2 H 2.721 0.030 2 187 23 23 ASP HB3 H 2.679 0.030 2 188 23 23 ASP C C 178.679 0.300 1 189 23 23 ASP CA C 57.414 0.300 1 190 23 23 ASP CB C 40.564 0.300 1 191 23 23 ASP N N 120.035 0.300 1 192 24 24 ASP H H 8.126 0.030 1 193 24 24 ASP HA H 4.413 0.030 1 194 24 24 ASP HB2 H 2.436 0.030 2 195 24 24 ASP HB3 H 2.630 0.030 2 196 24 24 ASP C C 179.382 0.300 1 197 24 24 ASP CA C 56.921 0.300 1 198 24 24 ASP CB C 40.060 0.300 1 199 24 24 ASP N N 120.771 0.300 1 200 25 25 PHE H H 8.551 0.030 1 201 25 25 PHE HA H 4.486 0.030 1 202 25 25 PHE HB2 H 3.223 0.030 1 203 25 25 PHE HB3 H 3.223 0.030 1 204 25 25 PHE HD1 H 7.327 0.030 1 205 25 25 PHE HD2 H 7.327 0.030 1 206 25 25 PHE HE1 H 7.244 0.030 1 207 25 25 PHE HE2 H 7.244 0.030 1 208 25 25 PHE HZ H 7.277 0.030 1 209 25 25 PHE C C 177.710 0.300 1 210 25 25 PHE CA C 61.284 0.300 1 211 25 25 PHE CB C 39.345 0.300 1 212 25 25 PHE CD1 C 131.256 0.300 1 213 25 25 PHE CD2 C 131.256 0.300 1 214 25 25 PHE CE1 C 130.998 0.300 1 215 25 25 PHE CE2 C 130.998 0.300 1 216 25 25 PHE CZ C 129.088 0.300 1 217 25 25 PHE N N 120.195 0.300 1 218 26 26 LYS H H 8.357 0.030 1 219 26 26 LYS HA H 4.024 0.030 1 220 26 26 LYS HB2 H 1.910 0.030 2 221 26 26 LYS HB3 H 1.963 0.030 2 222 26 26 LYS HD2 H 1.480 0.030 2 223 26 26 LYS HD3 H 1.676 0.030 2 224 26 26 LYS HE2 H 2.778 0.030 2 225 26 26 LYS HE3 H 2.826 0.030 2 226 26 26 LYS HG2 H 1.339 0.030 2 227 26 26 LYS HG3 H 1.585 0.030 2 228 26 26 LYS C C 178.292 0.300 1 229 26 26 LYS CA C 58.716 0.300 1 230 26 26 LYS CB C 32.176 0.300 1 231 26 26 LYS CD C 29.293 0.300 1 232 26 26 LYS CE C 42.209 0.300 1 233 26 26 LYS CG C 25.090 0.300 1 234 26 26 LYS N N 119.610 0.300 1 235 27 27 THR H H 7.577 0.030 1 236 27 27 THR HA H 3.989 0.030 1 237 27 27 THR HB H 4.242 0.030 1 238 27 27 THR HG2 H 1.207 0.030 1 239 27 27 THR C C 175.675 0.300 1 240 27 27 THR CA C 65.084 0.300 1 241 27 27 THR CB C 68.852 0.300 1 242 27 27 THR CG2 C 21.936 0.300 1 243 27 27 THR N N 112.562 0.300 1 244 28 28 MET H H 7.598 0.030 1 245 28 28 MET HA H 3.881 0.030 1 246 28 28 MET HB2 H 1.501 0.030 2 247 28 28 MET HB3 H 1.911 0.030 2 248 28 28 MET HE H 1.882 0.030 1 249 28 28 MET HG2 H 2.308 0.030 2 250 28 28 MET HG3 H 1.827 0.030 2 251 28 28 MET C C 175.627 0.300 1 252 28 28 MET CA C 58.258 0.300 1 253 28 28 MET CB C 34.716 0.300 1 254 28 28 MET CE C 16.806 0.300 1 255 28 28 MET CG C 31.929 0.300 1 256 28 28 MET N N 120.623 0.300 1 257 29 29 PHE H H 8.038 0.030 1 258 29 29 PHE HA H 5.054 0.030 1 259 29 29 PHE HB2 H 3.026 0.030 2 260 29 29 PHE HB3 H 2.977 0.030 2 261 29 29 PHE HD1 H 7.302 0.030 1 262 29 29 PHE HD2 H 7.302 0.030 1 263 29 29 PHE HE1 H 7.185 0.030 1 264 29 29 PHE HE2 H 7.185 0.030 1 265 29 29 PHE HZ H 7.179 0.030 1 266 29 29 PHE C C 173.446 0.300 1 267 29 29 PHE CA C 55.171 0.300 1 268 29 29 PHE CB C 39.390 0.300 1 269 29 29 PHE CD1 C 132.858 0.300 1 270 29 29 PHE CD2 C 132.858 0.300 1 271 29 29 PHE CE1 C 130.742 0.300 1 272 29 29 PHE CE2 C 130.742 0.300 1 273 29 29 PHE CZ C 128.806 0.300 1 274 29 29 PHE N N 116.143 0.300 1 275 30 30 PRO HA H 4.635 0.030 1 276 30 30 PRO HB2 H 1.956 0.030 2 277 30 30 PRO HB3 H 2.368 0.030 2 278 30 30 PRO HD2 H 3.350 0.030 2 279 30 30 PRO HD3 H 3.574 0.030 2 280 30 30 PRO HG2 H 1.898 0.030 2 281 30 30 PRO HG3 H 2.010 0.030 2 282 30 30 PRO C C 177.952 0.300 1 283 30 30 PRO CA C 64.697 0.300 1 284 30 30 PRO CB C 32.176 0.300 1 285 30 30 PRO CD C 50.103 0.300 1 286 30 30 PRO CG C 27.186 0.300 1 287 31 31 ASN H H 8.742 0.030 1 288 31 31 ASN HA H 4.832 0.030 1 289 31 31 ASN HB2 H 2.800 0.030 2 290 31 31 ASN HB3 H 2.961 0.030 2 291 31 31 ASN HD21 H 7.072 0.030 2 292 31 31 ASN HD22 H 7.680 0.030 2 293 31 31 ASN C C 175.045 0.300 1 294 31 31 ASN CA C 53.051 0.300 1 295 31 31 ASN CB C 38.512 0.300 1 296 31 31 ASN N N 114.931 0.300 1 297 31 31 ASN ND2 N 114.151 0.300 1 298 32 32 MET H H 7.588 0.030 1 299 32 32 MET HA H 4.516 0.030 1 300 32 32 MET HB2 H 1.919 0.030 2 301 32 32 MET HB3 H 2.092 0.030 2 302 32 32 MET HE H 1.887 0.030 1 303 32 32 MET HG2 H 2.494 0.030 1 304 32 32 MET HG3 H 2.494 0.030 1 305 32 32 MET C C 174.948 0.300 1 306 32 32 MET CA C 55.162 0.300 1 307 32 32 MET CB C 34.409 0.300 1 308 32 32 MET CE C 17.581 0.300 1 309 32 32 MET CG C 32.921 0.300 1 310 32 32 MET N N 120.221 0.300 1 311 33 33 ASP H H 8.384 0.030 1 312 33 33 ASP HA H 4.497 0.030 1 313 33 33 ASP HB2 H 2.648 0.030 2 314 33 33 ASP HB3 H 2.819 0.030 2 315 33 33 ASP C C 177.032 0.300 1 316 33 33 ASP CA C 54.493 0.300 1 317 33 33 ASP CB C 41.846 0.300 1 318 33 33 ASP N N 123.450 0.300 1 319 34 34 TYR H H 8.670 0.030 1 320 34 34 TYR HA H 4.048 0.030 1 321 34 34 TYR HB2 H 3.091 0.030 1 322 34 34 TYR HB3 H 3.091 0.030 1 323 34 34 TYR HD1 H 7.133 0.030 1 324 34 34 TYR HD2 H 7.133 0.030 1 325 34 34 TYR HE1 H 6.871 0.030 1 326 34 34 TYR HE2 H 6.871 0.030 1 327 34 34 TYR C C 176.959 0.300 1 328 34 34 TYR CA C 61.089 0.300 1 329 34 34 TYR CB C 38.426 0.300 1 330 34 34 TYR CD1 C 133.080 0.300 1 331 34 34 TYR CD2 C 133.080 0.300 1 332 34 34 TYR CE1 C 118.473 0.300 1 333 34 34 TYR CE2 C 118.473 0.300 1 334 34 34 TYR N N 124.957 0.300 1 335 35 35 ASP H H 8.641 0.030 1 336 35 35 ASP HA H 4.418 0.030 1 337 35 35 ASP HB2 H 2.651 0.030 2 338 35 35 ASP HB3 H 2.727 0.030 2 339 35 35 ASP C C 179.188 0.300 1 340 35 35 ASP CA C 57.238 0.300 1 341 35 35 ASP CB C 40.153 0.300 1 342 35 35 ASP N N 117.154 0.300 1 343 36 36 ILE H H 7.468 0.030 1 344 36 36 ILE HA H 3.832 0.030 1 345 36 36 ILE HB H 2.010 0.030 1 346 36 36 ILE HD1 H 0.887 0.030 1 347 36 36 ILE HG12 H 1.582 0.030 2 348 36 36 ILE HG13 H 1.243 0.030 2 349 36 36 ILE HG2 H 0.822 0.030 1 350 36 36 ILE C C 177.468 0.300 1 351 36 36 ILE CA C 63.468 0.300 1 352 36 36 ILE CB C 37.357 0.300 1 353 36 36 ILE CD1 C 12.279 0.300 1 354 36 36 ILE CG1 C 28.393 0.300 1 355 36 36 ILE CG2 C 17.374 0.300 1 356 36 36 ILE N N 121.168 0.300 1 357 37 37 ILE H H 7.312 0.030 1 358 37 37 ILE HA H 3.247 0.030 1 359 37 37 ILE HB H 1.763 0.030 1 360 37 37 ILE HD1 H 0.857 0.030 1 361 37 37 ILE HG12 H 0.773 0.030 2 362 37 37 ILE HG13 H 1.636 0.030 2 363 37 37 ILE HG2 H 0.616 0.030 1 364 37 37 ILE C C 177.153 0.300 1 365 37 37 ILE CA C 65.898 0.300 1 366 37 37 ILE CB C 37.765 0.300 1 367 37 37 ILE CD1 C 13.836 0.300 1 368 37 37 ILE CG1 C 28.640 0.300 1 369 37 37 ILE CG2 C 17.845 0.300 1 370 37 37 ILE N N 119.467 0.300 1 371 38 38 GLU H H 8.319 0.030 1 372 38 38 GLU HA H 3.873 0.030 1 373 38 38 GLU HB2 H 2.032 0.030 2 374 38 38 GLU HB3 H 2.078 0.030 2 375 38 38 GLU HG2 H 2.272 0.030 2 376 38 38 GLU HG3 H 2.420 0.030 2 377 38 38 GLU C C 178.243 0.300 1 378 38 38 GLU CA C 60.053 0.300 1 379 38 38 GLU CB C 29.462 0.300 1 380 38 38 GLU CG C 36.699 0.300 1 381 38 38 GLU N N 118.183 0.300 1 382 39 39 CYS H H 7.772 0.030 1 383 39 39 CYS HA H 4.073 0.030 1 384 39 39 CYS HB2 H 2.995 0.030 2 385 39 39 CYS HB3 H 3.126 0.030 2 386 39 39 CYS C C 177.807 0.300 1 387 39 39 CYS CA C 62.973 0.300 1 388 39 39 CYS CB C 26.469 0.300 1 389 39 39 CYS N N 117.134 0.300 1 390 40 40 VAL H H 8.115 0.030 1 391 40 40 VAL HA H 3.612 0.030 1 392 40 40 VAL HB H 1.924 0.030 1 393 40 40 VAL HG1 H 0.834 0.030 1 394 40 40 VAL HG2 H 0.915 0.030 1 395 40 40 VAL C C 178.074 0.300 1 396 40 40 VAL CA C 66.316 0.300 1 397 40 40 VAL CB C 31.600 0.300 1 398 40 40 VAL CG1 C 22.801 0.300 2 399 40 40 VAL CG2 C 22.632 0.300 2 400 40 40 VAL N N 122.488 0.300 1 401 41 41 LEU H H 8.531 0.030 1 402 41 41 LEU HA H 4.379 0.030 1 403 41 41 LEU HB2 H 1.366 0.030 2 404 41 41 LEU HB3 H 1.760 0.030 2 405 41 41 LEU HD1 H 0.648 0.030 1 406 41 41 LEU HD2 H 0.748 0.030 1 407 41 41 LEU HG H 1.403 0.030 1 408 41 41 LEU C C 180.496 0.300 1 409 41 41 LEU CA C 57.695 0.300 1 410 41 41 LEU CB C 42.128 0.300 1 411 41 41 LEU CD1 C 25.843 0.300 2 412 41 41 LEU CD2 C 24.141 0.300 2 413 41 41 LEU CG C 27.406 0.300 1 414 41 41 LEU N N 122.962 0.300 1 415 42 42 ARG H H 8.458 0.030 1 416 42 42 ARG HA H 4.079 0.030 1 417 42 42 ARG HB2 H 1.945 0.030 2 418 42 42 ARG HB3 H 1.901 0.030 2 419 42 42 ARG HD2 H 3.186 0.030 1 420 42 42 ARG HD3 H 3.186 0.030 1 421 42 42 ARG HG2 H 1.631 0.030 2 422 42 42 ARG HG3 H 1.847 0.030 2 423 42 42 ARG C C 180.666 0.300 1 424 42 42 ARG CA C 59.525 0.300 1 425 42 42 ARG CB C 29.956 0.300 1 426 42 42 ARG CD C 43.278 0.300 1 427 42 42 ARG CG C 28.230 0.300 1 428 42 42 ARG N N 118.776 0.300 1 429 43 43 ALA H H 8.274 0.030 1 430 43 43 ALA HA H 4.211 0.030 1 431 43 43 ALA HB H 1.546 0.030 1 432 43 43 ALA C C 178.922 0.300 1 433 43 43 ALA CA C 54.775 0.300 1 434 43 43 ALA CB C 17.944 0.300 1 435 43 43 ALA N N 124.535 0.300 1 436 44 44 ASN H H 7.550 0.030 1 437 44 44 ASN HA H 4.860 0.030 1 438 44 44 ASN HB2 H 2.681 0.030 2 439 44 44 ASN HB3 H 2.994 0.030 2 440 44 44 ASN HD21 H 7.257 0.030 2 441 44 44 ASN HD22 H 7.185 0.030 2 442 44 44 ASN C C 175.312 0.300 1 443 44 44 ASN CA C 53.438 0.300 1 444 44 44 ASN CB C 39.345 0.300 1 445 44 44 ASN N N 114.515 0.300 1 446 44 44 ASN ND2 N 115.381 0.300 1 447 45 45 SER H H 8.323 0.030 1 448 45 45 SER HA H 4.190 0.030 1 449 45 45 SER HB2 H 4.017 0.030 2 450 45 45 SER HB3 H 4.142 0.030 2 451 45 45 SER C C 174.997 0.300 1 452 45 45 SER CA C 58.997 0.300 1 453 45 45 SER CB C 61.648 0.300 1 454 45 45 SER N N 115.462 0.300 1 455 46 46 GLY H H 8.595 0.030 1 456 46 46 GLY HA2 H 3.337 0.030 2 457 46 46 GLY HA3 H 4.154 0.030 2 458 46 46 GLY C C 173.519 0.300 1 459 46 46 GLY CA C 45.099 0.300 1 460 46 46 GLY N N 105.091 0.300 1 461 47 47 ALA H H 7.533 0.030 1 462 47 47 ALA HA H 4.453 0.030 1 463 47 47 ALA HB H 1.575 0.030 1 464 47 47 ALA C C 178.267 0.300 1 465 47 47 ALA CA C 52.382 0.300 1 466 47 47 ALA CB C 18.721 0.300 1 467 47 47 ALA N N 122.792 0.300 1 468 48 48 VAL H H 8.717 0.030 1 469 48 48 VAL HA H 3.608 0.030 1 470 48 48 VAL HB H 2.090 0.030 1 471 48 48 VAL HG1 H 0.977 0.030 1 472 48 48 VAL HG2 H 1.108 0.030 1 473 48 48 VAL C C 177.032 0.300 1 474 48 48 VAL CA C 67.301 0.300 1 475 48 48 VAL CB C 32.463 0.300 1 476 48 48 VAL CG1 C 21.241 0.300 2 477 48 48 VAL CG2 C 22.613 0.300 2 478 48 48 VAL N N 129.111 0.300 1 479 49 49 ASP H H 8.609 0.030 1 480 49 49 ASP HA H 4.328 0.030 1 481 49 49 ASP HB2 H 2.692 0.030 2 482 49 49 ASP HB3 H 2.749 0.030 2 483 49 49 ASP C C 178.461 0.300 1 484 49 49 ASP CA C 57.660 0.300 1 485 49 49 ASP CB C 39.167 0.300 1 486 49 49 ASP N N 120.440 0.300 1 487 50 50 ALA H H 7.921 0.030 1 488 50 50 ALA HA H 4.166 0.030 1 489 50 50 ALA HB H 1.368 0.030 1 490 50 50 ALA C C 179.842 0.300 1 491 50 50 ALA CA C 54.328 0.300 1 492 50 50 ALA CB C 18.690 0.300 1 493 50 50 ALA N N 121.955 0.300 1 494 51 51 THR H H 7.501 0.030 1 495 51 51 THR HA H 3.623 0.030 1 496 51 51 THR HB H 4.333 0.030 1 497 51 51 THR HG2 H 0.708 0.030 1 498 51 51 THR C C 175.530 0.300 1 499 51 51 THR CA C 67.160 0.300 1 500 51 51 THR CB C 67.678 0.300 1 501 51 51 THR CG2 C 21.157 0.300 1 502 51 51 THR N N 115.482 0.300 1 503 52 52 ILE H H 8.518 0.030 1 504 52 52 ILE HA H 3.600 0.030 1 505 52 52 ILE HB H 2.058 0.030 1 506 52 52 ILE HD1 H 0.910 0.030 1 507 52 52 ILE HG12 H 1.143 0.030 2 508 52 52 ILE HG13 H 2.068 0.030 2 509 52 52 ILE HG2 H 1.066 0.030 1 510 52 52 ILE C C 176.959 0.300 1 511 52 52 ILE CA C 66.668 0.300 1 512 52 52 ILE CB C 38.215 0.300 1 513 52 52 ILE CD1 C 14.123 0.300 1 514 52 52 ILE CG1 C 30.676 0.300 1 515 52 52 ILE CG2 C 17.314 0.300 1 516 52 52 ILE N N 122.221 0.300 1 517 53 53 ASP H H 7.784 0.030 1 518 53 53 ASP HA H 4.390 0.030 1 519 53 53 ASP HB2 H 2.636 0.030 2 520 53 53 ASP HB3 H 2.694 0.030 2 521 53 53 ASP C C 178.849 0.300 1 522 53 53 ASP CA C 57.695 0.300 1 523 53 53 ASP CB C 40.728 0.300 1 524 53 53 ASP N N 117.511 0.300 1 525 54 54 GLN H H 7.731 0.030 1 526 54 54 GLN HA H 4.022 0.030 1 527 54 54 GLN HB2 H 1.877 0.030 2 528 54 54 GLN HB3 H 2.116 0.030 2 529 54 54 GLN HE21 H 6.762 0.030 2 530 54 54 GLN HE22 H 7.339 0.030 2 531 54 54 GLN HG2 H 2.500 0.030 2 532 54 54 GLN HG3 H 2.297 0.030 2 533 54 54 GLN C C 178.897 0.300 1 534 54 54 GLN CA C 59.173 0.300 1 535 54 54 GLN CB C 28.239 0.300 1 536 54 54 GLN CG C 33.860 0.300 1 537 54 54 GLN N N 118.700 0.300 1 538 54 54 GLN NE2 N 110.871 0.300 1 539 55 55 LEU H H 8.510 0.030 1 540 55 55 LEU HA H 3.873 0.030 1 541 55 55 LEU HB2 H 1.491 0.030 2 542 55 55 LEU HB3 H 0.353 0.030 2 543 55 55 LEU HD1 H 0.294 0.030 1 544 55 55 LEU HD2 H 0.575 0.030 1 545 55 55 LEU HG H 1.614 0.030 1 546 55 55 LEU C C 179.673 0.300 1 547 55 55 LEU CA C 57.766 0.300 1 548 55 55 LEU CB C 41.057 0.300 1 549 55 55 LEU CD1 C 27.325 0.300 2 550 55 55 LEU CD2 C 22.884 0.300 2 551 55 55 LEU CG C 26.653 0.300 1 552 55 55 LEU N N 120.800 0.300 1 553 56 56 LEU H H 8.545 0.030 1 554 56 56 LEU HA H 4.136 0.030 1 555 56 56 LEU HB2 H 1.579 0.030 2 556 56 56 LEU HB3 H 2.023 0.030 2 557 56 56 LEU HD1 H 1.004 0.030 1 558 56 56 LEU HD2 H 1.031 0.030 1 559 56 56 LEU HG H 1.999 0.030 1 560 56 56 LEU C C 179.842 0.300 1 561 56 56 LEU CA C 58.082 0.300 1 562 56 56 LEU CB C 41.985 0.300 1 563 56 56 LEU CD1 C 26.009 0.300 2 564 56 56 LEU CD2 C 23.526 0.300 2 565 56 56 LEU CG C 27.100 0.300 1 566 56 56 LEU N N 119.585 0.300 1 567 57 57 GLN H H 7.533 0.030 1 568 57 57 GLN HA H 4.139 0.030 1 569 57 57 GLN HB2 H 2.126 0.030 2 570 57 57 GLN HB3 H 2.222 0.030 2 571 57 57 GLN HE21 H 7.510 0.030 2 572 57 57 GLN HE22 H 6.785 0.030 2 573 57 57 GLN HG2 H 2.418 0.030 2 574 57 57 GLN HG3 H 2.501 0.030 2 575 57 57 GLN C C 177.952 0.300 1 576 57 57 GLN CA C 57.660 0.300 1 577 57 57 GLN CB C 28.491 0.300 1 578 57 57 GLN CG C 33.804 0.300 1 579 57 57 GLN N N 117.364 0.300 1 580 57 57 GLN NE2 N 112.534 0.300 1 581 58 58 MET H H 7.884 0.030 1 582 58 58 MET HA H 4.148 0.030 1 583 58 58 MET HB2 H 2.134 0.030 2 584 58 58 MET HB3 H 2.027 0.030 2 585 58 58 MET HE H 1.964 0.030 1 586 58 58 MET HG2 H 2.515 0.030 2 587 58 58 MET HG3 H 2.713 0.030 2 588 58 58 MET C C 177.080 0.300 1 589 58 58 MET CA C 57.906 0.300 1 590 58 58 MET CB C 33.638 0.300 1 591 58 58 MET CE C 16.687 0.300 1 592 58 58 MET CG C 32.240 0.300 1 593 58 58 MET N N 118.645 0.300 1 594 59 59 ASN H H 8.080 0.030 1 595 59 59 ASN HA H 4.613 0.030 1 596 59 59 ASN HB2 H 2.766 0.030 2 597 59 59 ASN HB3 H 2.918 0.030 2 598 59 59 ASN HD21 H 6.933 0.030 2 599 59 59 ASN HD22 H 7.686 0.030 2 600 59 59 ASN C C 175.699 0.300 1 601 59 59 ASN CA C 54.117 0.300 1 602 59 59 ASN CB C 39.330 0.300 1 603 59 59 ASN N N 117.957 0.300 1 604 59 59 ASN ND2 N 113.420 0.300 1 605 60 60 LEU H H 7.923 0.030 1 606 60 60 LEU HA H 4.306 0.030 1 607 60 60 LEU HB2 H 1.623 0.030 2 608 60 60 LEU HB3 H 1.749 0.030 2 609 60 60 LEU HD1 H 0.943 0.030 1 610 60 60 LEU HD2 H 0.895 0.030 1 611 60 60 LEU HG H 1.718 0.030 1 612 60 60 LEU C C 178.025 0.300 1 613 60 60 LEU CA C 55.971 0.300 1 614 60 60 LEU CB C 42.295 0.300 1 615 60 60 LEU CD1 C 25.186 0.300 2 616 60 60 LEU CD2 C 23.360 0.300 2 617 60 60 LEU CG C 26.878 0.300 1 618 60 60 LEU N N 121.237 0.300 1 619 61 61 GLU H H 8.181 0.030 1 620 61 61 GLU HA H 4.289 0.030 1 621 61 61 GLU HB2 H 2.004 0.030 2 622 61 61 GLU HB3 H 2.118 0.030 2 623 61 61 GLU HG2 H 2.239 0.030 2 624 61 61 GLU HG3 H 2.329 0.030 2 625 61 61 GLU C C 176.741 0.300 1 626 61 61 GLU CA C 56.921 0.300 1 627 61 61 GLU CB C 30.202 0.300 1 628 61 61 GLU CG C 36.288 0.300 1 629 61 61 GLU N N 120.168 0.300 1 630 62 62 SER H H 8.142 0.030 1 631 62 62 SER HA H 4.482 0.030 1 632 62 62 SER HB2 H 3.900 0.030 1 633 62 62 SER HB3 H 3.900 0.030 1 634 62 62 SER C C 174.682 0.300 1 635 62 62 SER CA C 58.645 0.300 1 636 62 62 SER CB C 64.000 0.300 1 637 62 62 SER N N 115.898 0.300 1 638 63 63 GLY H H 8.170 0.030 1 639 63 63 GLY HA2 H 4.190 0.030 2 640 63 63 GLY HA3 H 4.087 0.030 2 641 63 63 GLY C C 171.871 0.300 1 642 63 63 GLY CA C 44.782 0.300 1 643 63 63 GLY N N 110.596 0.300 1 644 64 64 PRO HA H 4.483 0.030 1 645 64 64 PRO HB2 H 1.969 0.030 2 646 64 64 PRO HB3 H 2.289 0.030 2 647 64 64 PRO HD2 H 3.639 0.030 1 648 64 64 PRO HD3 H 3.639 0.030 1 649 64 64 PRO HG2 H 2.022 0.030 1 650 64 64 PRO HG3 H 2.022 0.030 1 651 64 64 PRO C C 177.419 0.300 1 652 64 64 PRO CA C 63.184 0.300 1 653 64 64 PRO CB C 32.258 0.300 1 654 64 64 PRO CD C 49.774 0.300 1 655 64 64 PRO CG C 27.242 0.300 1 656 65 65 SER H H 8.537 0.030 1 657 65 65 SER HA H 4.500 0.030 1 658 65 65 SER HB2 H 3.903 0.030 1 659 65 65 SER HB3 H 3.903 0.030 1 660 65 65 SER C C 174.803 0.300 1 661 65 65 SER CA C 58.293 0.300 1 662 65 65 SER CB C 63.918 0.300 1 663 65 65 SER N N 116.481 0.300 1 664 66 66 SER H H 8.359 0.030 1 665 66 66 SER C C 173.979 0.300 1 666 66 66 SER CA C 58.399 0.300 1 667 66 66 SER CB C 63.918 0.300 1 668 66 66 SER N N 118.013 0.300 1 stop_ save_