data_11272 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Novel Identified Ubiquitin-like Domain in the Human COBL-like 1 Protein ; _BMRB_accession_number 11272 _BMRB_flat_file_name bmr11272.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 Saito K. . . 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" 507 "13C chemical shifts" 384 "15N chemical shifts" 83 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 Novel Identified Ubiquitin-like Domain in the Human COBL-like 1 Protein ; _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 Saito K. . . 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 'KIAA0977 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ubiquitin-like 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 'ubiquitin-like domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; GSSGSSGEKTVRVVINFKKT QKTIVRVSPHASLQELAPII CSKCEFDPLHTLLLKDYQSQ EPLDLTKSLNDLGLRELYAM DVNRESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 LYS 10 THR 11 VAL 12 ARG 13 VAL 14 VAL 15 ILE 16 ASN 17 PHE 18 LYS 19 LYS 20 THR 21 GLN 22 LYS 23 THR 24 ILE 25 VAL 26 ARG 27 VAL 28 SER 29 PRO 30 HIS 31 ALA 32 SER 33 LEU 34 GLN 35 GLU 36 LEU 37 ALA 38 PRO 39 ILE 40 ILE 41 CYS 42 SER 43 LYS 44 CYS 45 GLU 46 PHE 47 ASP 48 PRO 49 LEU 50 HIS 51 THR 52 LEU 53 LEU 54 LEU 55 LYS 56 ASP 57 TYR 58 GLN 59 SER 60 GLN 61 GLU 62 PRO 63 LEU 64 ASP 65 LEU 66 THR 67 LYS 68 SER 69 LEU 70 ASN 71 ASP 72 LEU 73 GLY 74 LEU 75 ARG 76 GLU 77 LEU 78 TYR 79 ALA 80 MET 81 ASP 82 VAL 83 ASN 84 ARG 85 GLU 86 SER 87 GLY 88 PRO 89 SER 90 SER 91 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2DAJ "Solution Structure Of The Novel Identified Ubiquitin-Like Domain In The Human Cobl-Like 1 Protein" 100.00 91 100.00 100.00 1.36e-58 DBJ BAA76821 "KIAA0977 protein [Homo sapiens]" 86.81 1207 100.00 100.00 1.99e-45 DBJ BAG09927 "cordon-bleu protein-like 1 [synthetic construct]" 86.81 1166 100.00 100.00 2.27e-45 DBJ BAH11931 "unnamed protein product [Homo sapiens]" 84.62 1233 100.00 100.00 3.35e-44 EMBL CAH89676 "hypothetical protein [Pongo abelii]" 86.81 477 100.00 100.00 1.76e-46 GB AAH71588 "COBLL1 protein [Homo sapiens]" 86.81 1128 100.00 100.00 1.92e-45 GB AAX93068 "unknown [Homo sapiens]" 86.81 1166 100.00 100.00 2.27e-45 GB EAX11339 "COBL-like 1, isoform CRA_b [Homo sapiens]" 86.81 1167 100.00 100.00 2.41e-45 GB EAX11340 "COBL-like 1, isoform CRA_c [Homo sapiens]" 86.81 1166 100.00 100.00 2.27e-45 GB EFB27997 "hypothetical protein PANDA_017592, partial [Ailuropoda melanoleuca]" 86.81 1151 97.47 98.73 9.40e-44 REF NP_001265387 "cordon-bleu protein-like 1 isoform 1 [Homo sapiens]" 84.62 1233 100.00 100.00 3.26e-44 REF NP_001265389 "cordon-bleu protein-like 1 isoform 3 [Homo sapiens]" 86.81 1174 100.00 100.00 2.21e-45 REF NP_001265390 "cordon-bleu protein-like 1 isoform 4 [Homo sapiens]" 86.81 1128 100.00 100.00 1.92e-45 REF NP_055715 "cordon-bleu protein-like 1 isoform 2 [Homo sapiens]" 86.81 1166 100.00 100.00 2.27e-45 REF XP_001098489 "PREDICTED: COBL-like 1 isoform 1 [Macaca mulatta]" 84.62 1236 98.70 100.00 8.09e-44 SP Q53SF7 "RecName: Full=Cordon-bleu protein-like 1" 86.81 1204 100.00 100.00 2.29e-45 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 P050719-08 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.14mM ubiquitin-like domain U-15N, {13C;} 20mM d-Tris-HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.14 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 0.9321 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298.0 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'ubiquitin-like 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 3.998 0.030 1 2 7 7 GLY HA3 H 3.998 0.030 1 3 7 7 GLY C C 174.192 0.300 1 4 7 7 GLY CA C 45.237 0.300 1 5 8 8 GLU H H 8.258 0.030 1 6 8 8 GLU HA H 4.340 0.030 1 7 8 8 GLU HB2 H 1.962 0.030 2 8 8 8 GLU HB3 H 2.112 0.030 2 9 8 8 GLU HG2 H 2.292 0.030 1 10 8 8 GLU HG3 H 2.292 0.030 1 11 8 8 GLU C C 176.712 0.300 1 12 8 8 GLU CA C 56.561 0.300 1 13 8 8 GLU CB C 30.418 0.300 1 14 8 8 GLU CG C 35.567 0.300 1 15 8 8 GLU N N 120.694 0.300 1 16 9 9 LYS HA H 4.411 0.030 1 17 9 9 LYS HB2 H 1.874 0.030 2 18 9 9 LYS HB3 H 1.962 0.030 2 19 9 9 LYS HD2 H 1.731 0.030 1 20 9 9 LYS HD3 H 1.731 0.030 1 21 9 9 LYS HE2 H 3.053 0.030 1 22 9 9 LYS HE3 H 3.053 0.030 1 23 9 9 LYS HG2 H 1.485 0.030 2 24 9 9 LYS HG3 H 1.555 0.030 2 25 9 9 LYS C C 176.905 0.300 1 26 9 9 LYS CA C 56.944 0.300 1 27 9 9 LYS CB C 33.062 0.300 1 28 9 9 LYS CD C 29.091 0.300 1 29 9 9 LYS CE C 42.335 0.300 1 30 9 9 LYS CG C 25.154 0.300 1 31 10 10 THR H H 7.782 0.030 1 32 10 10 THR HA H 4.565 0.030 1 33 10 10 THR HB H 3.859 0.030 1 34 10 10 THR HG2 H 1.036 0.030 1 35 10 10 THR C C 173.635 0.300 1 36 10 10 THR CA C 59.871 0.300 1 37 10 10 THR CB C 72.589 0.300 1 38 10 10 THR CG2 C 21.945 0.300 1 39 10 10 THR N N 109.200 0.300 1 40 11 11 VAL H H 8.933 0.030 1 41 11 11 VAL HA H 4.732 0.030 1 42 11 11 VAL HB H 2.159 0.030 1 43 11 11 VAL HG1 H 0.841 0.030 1 44 11 11 VAL HG2 H 0.627 0.030 1 45 11 11 VAL C C 174.192 0.300 1 46 11 11 VAL CA C 58.746 0.300 1 47 11 11 VAL CB C 35.333 0.300 1 48 11 11 VAL CG1 C 22.040 0.300 2 49 11 11 VAL CG2 C 18.327 0.300 2 50 11 11 VAL N N 112.835 0.300 1 51 12 12 ARG H H 8.335 0.030 1 52 12 12 ARG HA H 4.522 0.030 1 53 12 12 ARG HB2 H 1.704 0.030 1 54 12 12 ARG HB3 H 1.704 0.030 1 55 12 12 ARG HD2 H 3.188 0.030 2 56 12 12 ARG HD3 H 3.212 0.030 2 57 12 12 ARG HG2 H 1.610 0.030 2 58 12 12 ARG HG3 H 1.359 0.030 2 59 12 12 ARG C C 175.815 0.300 1 60 12 12 ARG CA C 56.388 0.300 1 61 12 12 ARG CB C 31.277 0.300 1 62 12 12 ARG CD C 43.879 0.300 1 63 12 12 ARG CG C 28.162 0.300 1 64 12 12 ARG N N 121.454 0.300 1 65 13 13 VAL H H 9.090 0.030 1 66 13 13 VAL HA H 4.535 0.030 1 67 13 13 VAL HB H 1.721 0.030 1 68 13 13 VAL HG1 H 0.557 0.030 1 69 13 13 VAL HG2 H 0.699 0.030 1 70 13 13 VAL C C 174.217 0.300 1 71 13 13 VAL CA C 60.364 0.300 1 72 13 13 VAL CB C 35.050 0.300 1 73 13 13 VAL CG1 C 20.713 0.300 2 74 13 13 VAL CG2 C 23.672 0.300 2 75 13 13 VAL N N 126.630 0.300 1 76 14 14 VAL H H 7.947 0.030 1 77 14 14 VAL HA H 4.266 0.030 1 78 14 14 VAL HB H 2.036 0.030 1 79 14 14 VAL HG1 H 0.933 0.030 1 80 14 14 VAL HG2 H 1.036 0.030 1 81 14 14 VAL C C 174.217 0.300 1 82 14 14 VAL CA C 62.414 0.300 1 83 14 14 VAL CB C 33.254 0.300 1 84 14 14 VAL CG1 C 21.534 0.300 2 85 14 14 VAL CG2 C 21.505 0.300 2 86 14 14 VAL N N 126.775 0.300 1 87 15 15 ILE H H 9.024 0.030 1 88 15 15 ILE HA H 4.467 0.030 1 89 15 15 ILE HB H 2.019 0.030 1 90 15 15 ILE HD1 H 0.566 0.030 1 91 15 15 ILE HG12 H 1.375 0.030 2 92 15 15 ILE HG13 H 1.111 0.030 2 93 15 15 ILE HG2 H 0.602 0.030 1 94 15 15 ILE C C 175.355 0.300 1 95 15 15 ILE CA C 58.183 0.300 1 96 15 15 ILE CB C 36.530 0.300 1 97 15 15 ILE CD1 C 11.996 0.300 1 98 15 15 ILE CG1 C 26.339 0.300 1 99 15 15 ILE CG2 C 17.834 0.300 1 100 15 15 ILE N N 127.207 0.300 1 101 16 16 ASN H H 9.172 0.030 1 102 16 16 ASN HA H 5.662 0.030 1 103 16 16 ASN HB2 H 2.909 0.030 1 104 16 16 ASN HB3 H 2.909 0.030 1 105 16 16 ASN HD21 H 7.966 0.030 2 106 16 16 ASN HD22 H 7.009 0.030 2 107 16 16 ASN C C 173.272 0.300 1 108 16 16 ASN CA C 52.484 0.300 1 109 16 16 ASN CB C 42.532 0.300 1 110 16 16 ASN N N 126.262 0.300 1 111 16 16 ASN ND2 N 117.344 0.300 1 112 17 17 PHE H H 8.552 0.030 1 113 17 17 PHE HA H 4.218 0.030 1 114 17 17 PHE HB2 H 2.902 0.030 2 115 17 17 PHE HB3 H 3.323 0.030 2 116 17 17 PHE HD1 H 6.987 0.030 1 117 17 17 PHE HD2 H 6.987 0.030 1 118 17 17 PHE HE1 H 7.073 0.030 1 119 17 17 PHE HE2 H 7.073 0.030 1 120 17 17 PHE HZ H 7.192 0.030 1 121 17 17 PHE C C 172.012 0.300 1 122 17 17 PHE CA C 56.318 0.300 1 123 17 17 PHE CB C 39.399 0.300 1 124 17 17 PHE CD1 C 132.280 0.300 1 125 17 17 PHE CD2 C 132.280 0.300 1 126 17 17 PHE CE1 C 130.915 0.300 1 127 17 17 PHE CE2 C 130.915 0.300 1 128 17 17 PHE CZ C 129.823 0.300 1 129 17 17 PHE N N 117.151 0.300 1 130 18 18 LYS H H 10.400 0.030 1 131 18 18 LYS HA H 3.933 0.030 1 132 18 18 LYS HB2 H 1.400 0.030 2 133 18 18 LYS HB3 H 2.026 0.030 2 134 18 18 LYS HD2 H 1.807 0.030 2 135 18 18 LYS HD3 H 1.842 0.030 2 136 18 18 LYS HE2 H 3.190 0.030 1 137 18 18 LYS HE3 H 3.190 0.030 1 138 18 18 LYS HG2 H 1.668 0.030 2 139 18 18 LYS HG3 H 1.788 0.030 2 140 18 18 LYS C C 177.778 0.300 1 141 18 18 LYS CA C 57.374 0.300 1 142 18 18 LYS CB C 30.988 0.300 1 143 18 18 LYS CD C 29.781 0.300 1 144 18 18 LYS CE C 42.736 0.300 1 145 18 18 LYS CG C 26.796 0.300 1 146 18 18 LYS N N 118.886 0.300 1 147 19 19 LYS H H 8.864 0.030 1 148 19 19 LYS HA H 3.378 0.030 1 149 19 19 LYS HB2 H 1.799 0.030 2 150 19 19 LYS HB3 H 2.351 0.030 2 151 19 19 LYS HD2 H 1.537 0.030 2 152 19 19 LYS HD3 H 1.582 0.030 2 153 19 19 LYS HE2 H 2.930 0.030 1 154 19 19 LYS HE3 H 2.930 0.030 1 155 19 19 LYS HG2 H 1.092 0.030 2 156 19 19 LYS HG3 H 1.210 0.030 2 157 19 19 LYS C C 178.335 0.300 1 158 19 19 LYS CA C 62.553 0.300 1 159 19 19 LYS CB C 32.332 0.300 1 160 19 19 LYS CD C 29.180 0.300 1 161 19 19 LYS CE C 42.171 0.300 1 162 19 19 LYS CG C 25.584 0.300 1 163 19 19 LYS N N 111.838 0.300 1 164 20 20 THR H H 9.060 0.030 1 165 20 20 THR HA H 4.490 0.030 1 166 20 20 THR HB H 4.539 0.030 1 167 20 20 THR HG2 H 1.119 0.030 1 168 20 20 THR C C 175.258 0.300 1 169 20 20 THR CA C 61.076 0.300 1 170 20 20 THR CB C 70.459 0.300 1 171 20 20 THR CG2 C 21.738 0.300 1 172 20 20 THR N N 110.388 0.300 1 173 21 21 GLN H H 8.146 0.030 1 174 21 21 GLN HA H 4.415 0.030 1 175 21 21 GLN HB2 H 0.674 0.030 2 176 21 21 GLN HB3 H 1.348 0.030 2 177 21 21 GLN HE21 H 7.292 0.030 2 178 21 21 GLN HE22 H 6.892 0.030 2 179 21 21 GLN HG2 H 2.105 0.030 1 180 21 21 GLN HG3 H 2.105 0.030 1 181 21 21 GLN C C 175.476 0.300 1 182 21 21 GLN CA C 55.337 0.300 1 183 21 21 GLN CB C 29.008 0.300 1 184 21 21 GLN CG C 34.571 0.300 1 185 21 21 GLN N N 121.230 0.300 1 186 21 21 GLN NE2 N 112.710 0.300 1 187 22 22 LYS H H 8.332 0.030 1 188 22 22 LYS HA H 5.736 0.030 1 189 22 22 LYS HB2 H 1.836 0.030 2 190 22 22 LYS HB3 H 1.585 0.030 2 191 22 22 LYS HD2 H 1.585 0.030 2 192 22 22 LYS HD3 H 1.639 0.030 2 193 22 22 LYS HE2 H 2.998 0.030 1 194 22 22 LYS HE3 H 2.998 0.030 1 195 22 22 LYS HG2 H 1.290 0.030 2 196 22 22 LYS HG3 H 1.469 0.030 2 197 22 22 LYS C C 176.058 0.300 1 198 22 22 LYS CA C 55.668 0.300 1 199 22 22 LYS CB C 36.565 0.300 1 200 22 22 LYS CD C 29.693 0.300 1 201 22 22 LYS CE C 42.335 0.300 1 202 22 22 LYS CG C 24.234 0.300 1 203 22 22 LYS N N 118.363 0.300 1 204 23 23 THR H H 9.073 0.030 1 205 23 23 THR HA H 4.713 0.030 1 206 23 23 THR HB H 4.174 0.030 1 207 23 23 THR HG2 H 0.929 0.030 1 208 23 23 THR C C 171.213 0.300 1 209 23 23 THR CA C 60.606 0.300 1 210 23 23 THR CB C 70.283 0.300 1 211 23 23 THR CG2 C 20.423 0.300 1 212 23 23 THR N N 118.252 0.300 1 213 24 24 ILE H H 8.074 0.030 1 214 24 24 ILE HA H 5.175 0.030 1 215 24 24 ILE HB H 1.757 0.030 1 216 24 24 ILE HD1 H 0.829 0.030 1 217 24 24 ILE HG12 H 1.218 0.030 2 218 24 24 ILE HG13 H 1.498 0.030 2 219 24 24 ILE HG2 H 0.799 0.030 1 220 24 24 ILE C C 176.251 0.300 1 221 24 24 ILE CA C 59.551 0.300 1 222 24 24 ILE CB C 40.148 0.300 1 223 24 24 ILE CD1 C 13.119 0.300 1 224 24 24 ILE CG1 C 28.166 0.300 1 225 24 24 ILE CG2 C 18.327 0.300 1 226 24 24 ILE N N 124.058 0.300 1 227 25 25 VAL H H 8.813 0.030 1 228 25 25 VAL HA H 4.688 0.030 1 229 25 25 VAL HB H 1.927 0.030 1 230 25 25 VAL HG1 H 0.770 0.030 1 231 25 25 VAL HG2 H 0.733 0.030 1 232 25 25 VAL C C 173.272 0.300 1 233 25 25 VAL CA C 59.027 0.300 1 234 25 25 VAL CB C 35.132 0.300 1 235 25 25 VAL CG1 C 22.046 0.300 2 236 25 25 VAL CG2 C 20.136 0.300 2 237 25 25 VAL N N 120.120 0.300 1 238 26 26 ARG H H 8.333 0.030 1 239 26 26 ARG HA H 5.389 0.030 1 240 26 26 ARG HB2 H 1.546 0.030 2 241 26 26 ARG HB3 H 1.651 0.030 2 242 26 26 ARG HD2 H 3.104 0.030 2 243 26 26 ARG HD3 H 3.141 0.030 2 244 26 26 ARG HG2 H 1.534 0.030 2 245 26 26 ARG HG3 H 1.259 0.030 2 246 26 26 ARG C C 176.494 0.300 1 247 26 26 ARG CA C 54.876 0.300 1 248 26 26 ARG CB C 30.714 0.300 1 249 26 26 ARG CD C 43.246 0.300 1 250 26 26 ARG CG C 28.166 0.300 1 251 26 26 ARG N N 123.012 0.300 1 252 27 27 VAL H H 8.359 0.030 1 253 27 27 VAL HA H 4.795 0.030 1 254 27 27 VAL HB H 2.320 0.030 1 255 27 27 VAL HG1 H 0.796 0.030 1 256 27 27 VAL HG2 H 0.538 0.030 1 257 27 27 VAL C C 174.822 0.300 1 258 27 27 VAL CA C 57.901 0.300 1 259 27 27 VAL CB C 37.188 0.300 1 260 27 27 VAL CG1 C 22.774 0.300 2 261 27 27 VAL CG2 C 18.483 0.300 2 262 27 27 VAL N N 114.085 0.300 1 263 28 28 SER H H 8.829 0.030 1 264 28 28 SER HA H 4.995 0.030 1 265 28 28 SER HB2 H 3.799 0.030 2 266 28 28 SER HB3 H 4.252 0.030 2 267 28 28 SER C C 175.404 0.300 1 268 28 28 SER CA C 54.911 0.300 1 269 28 28 SER CB C 64.683 0.300 1 270 28 28 SER N N 116.106 0.300 1 271 29 29 PRO HA H 4.474 0.030 1 272 29 29 PRO HB2 H 1.659 0.030 2 273 29 29 PRO HB3 H 1.902 0.030 2 274 29 29 PRO HD2 H 3.671 0.030 2 275 29 29 PRO HD3 H 3.932 0.030 2 276 29 29 PRO HG2 H 1.817 0.030 2 277 29 29 PRO HG3 H 1.024 0.030 2 278 29 29 PRO C C 173.393 0.300 1 279 29 29 PRO CA C 63.847 0.300 1 280 29 29 PRO CB C 30.610 0.300 1 281 29 29 PRO CD C 50.640 0.300 1 282 29 29 PRO CG C 25.848 0.300 1 283 30 30 HIS H H 7.677 0.030 1 284 30 30 HIS HA H 4.841 0.030 1 285 30 30 HIS HB2 H 2.725 0.030 2 286 30 30 HIS HB3 H 3.290 0.030 2 287 30 30 HIS HD2 H 7.053 0.030 1 288 30 30 HIS HE1 H 7.745 0.030 1 289 30 30 HIS C C 175.694 0.300 1 290 30 30 HIS CA C 55.650 0.300 1 291 30 30 HIS CB C 32.497 0.300 1 292 30 30 HIS CD2 C 119.949 0.300 1 293 30 30 HIS CE1 C 138.799 0.300 1 294 30 30 HIS N N 115.398 0.300 1 295 31 31 ALA H H 6.703 0.030 1 296 31 31 ALA HA H 4.450 0.030 1 297 31 31 ALA HB H 1.384 0.030 1 298 31 31 ALA C C 176.905 0.300 1 299 31 31 ALA CA C 51.239 0.300 1 300 31 31 ALA CB C 19.976 0.300 1 301 31 31 ALA N N 123.602 0.300 1 302 32 32 SER H H 8.730 0.030 1 303 32 32 SER HA H 3.854 0.030 1 304 32 32 SER HB2 H 4.012 0.030 2 305 32 32 SER HB3 H 4.262 0.030 2 306 32 32 SER C C 175.476 0.300 1 307 32 32 SER CA C 58.617 0.300 1 308 32 32 SER CB C 63.905 0.300 1 309 32 32 SER N N 117.593 0.300 1 310 33 33 LEU H H 8.597 0.030 1 311 33 33 LEU HA H 3.938 0.030 1 312 33 33 LEU HB2 H 1.442 0.030 2 313 33 33 LEU HB3 H 1.967 0.030 2 314 33 33 LEU HD1 H 0.736 0.030 1 315 33 33 LEU HD2 H 0.687 0.030 1 316 33 33 LEU HG H 1.835 0.030 1 317 33 33 LEU C C 179.207 0.300 1 318 33 33 LEU CA C 58.520 0.300 1 319 33 33 LEU CB C 42.059 0.300 1 320 33 33 LEU CD1 C 26.290 0.300 2 321 33 33 LEU CD2 C 23.826 0.300 2 322 33 33 LEU CG C 28.084 0.300 1 323 33 33 LEU N N 123.386 0.300 1 324 34 34 GLN H H 9.052 0.030 1 325 34 34 GLN HA H 3.993 0.030 1 326 34 34 GLN HB2 H 2.024 0.030 2 327 34 34 GLN HB3 H 2.178 0.030 2 328 34 34 GLN HE21 H 6.841 0.030 2 329 34 34 GLN HE22 H 7.437 0.030 2 330 34 34 GLN HG2 H 2.301 0.030 2 331 34 34 GLN HG3 H 2.388 0.030 2 332 34 34 GLN C C 178.432 0.300 1 333 34 34 GLN CA C 59.132 0.300 1 334 34 34 GLN CB C 28.390 0.300 1 335 34 34 GLN CG C 33.125 0.300 1 336 34 34 GLN N N 117.708 0.300 1 337 34 34 GLN NE2 N 111.553 0.300 1 338 35 35 GLU H H 7.745 0.030 1 339 35 35 GLU HA H 4.114 0.030 1 340 35 35 GLU HB2 H 2.162 0.030 2 341 35 35 GLU HB3 H 2.327 0.030 2 342 35 35 GLU HG2 H 2.324 0.030 1 343 35 35 GLU HG3 H 2.324 0.030 1 344 35 35 GLU C C 178.432 0.300 1 345 35 35 GLU CA C 58.513 0.300 1 346 35 35 GLU CB C 29.788 0.300 1 347 35 35 GLU CG C 37.238 0.300 1 348 35 35 GLU N N 118.913 0.300 1 349 36 36 LEU H H 7.866 0.030 1 350 36 36 LEU HA H 4.310 0.030 1 351 36 36 LEU HB2 H 1.945 0.030 2 352 36 36 LEU HB3 H 1.312 0.030 2 353 36 36 LEU HD1 H 0.905 0.030 1 354 36 36 LEU HD2 H 0.896 0.030 1 355 36 36 LEU HG H 1.872 0.030 1 356 36 36 LEU C C 178.795 0.300 1 357 36 36 LEU CA C 55.509 0.300 1 358 36 36 LEU CB C 43.486 0.300 1 359 36 36 LEU CD1 C 26.074 0.300 2 360 36 36 LEU CD2 C 23.096 0.300 2 361 36 36 LEU CG C 25.617 0.300 1 362 36 36 LEU N N 116.458 0.300 1 363 37 37 ALA H H 8.329 0.030 1 364 37 37 ALA HA H 4.054 0.030 1 365 37 37 ALA HB H 1.590 0.030 1 366 37 37 ALA C C 175.694 0.300 1 367 37 37 ALA CA C 57.972 0.300 1 368 37 37 ALA CB C 15.146 0.300 1 369 37 37 ALA N N 123.430 0.300 1 370 38 38 PRO HA H 4.181 0.030 1 371 38 38 PRO HB2 H 1.914 0.030 2 372 38 38 PRO HB3 H 2.410 0.030 2 373 38 38 PRO HD2 H 3.759 0.030 2 374 38 38 PRO HD3 H 3.795 0.030 2 375 38 38 PRO HG2 H 2.032 0.030 2 376 38 38 PRO HG3 H 2.150 0.030 2 377 38 38 PRO C C 179.497 0.300 1 378 38 38 PRO CA C 66.581 0.300 1 379 38 38 PRO CB C 31.268 0.300 1 380 38 38 PRO CD C 50.640 0.300 1 381 38 38 PRO CG C 28.625 0.300 1 382 39 39 ILE H H 7.180 0.030 1 383 39 39 ILE HA H 3.835 0.030 1 384 39 39 ILE HB H 2.092 0.030 1 385 39 39 ILE HD1 H 0.995 0.030 1 386 39 39 ILE HG12 H 1.678 0.030 2 387 39 39 ILE HG13 H 1.243 0.030 2 388 39 39 ILE HG2 H 0.909 0.030 1 389 39 39 ILE C C 178.625 0.300 1 390 39 39 ILE CA C 64.339 0.300 1 391 39 39 ILE CB C 38.494 0.300 1 392 39 39 ILE CD1 C 13.559 0.300 1 393 39 39 ILE CG1 C 28.687 0.300 1 394 39 39 ILE CG2 C 17.073 0.300 1 395 39 39 ILE N N 119.274 0.300 1 396 40 40 ILE H H 8.116 0.030 1 397 40 40 ILE HA H 3.275 0.030 1 398 40 40 ILE HB H 1.855 0.030 1 399 40 40 ILE HD1 H 0.703 0.030 1 400 40 40 ILE HG12 H 0.782 0.030 2 401 40 40 ILE HG13 H 1.666 0.030 2 402 40 40 ILE HG2 H 0.740 0.030 1 403 40 40 ILE C C 177.608 0.300 1 404 40 40 ILE CA C 65.933 0.300 1 405 40 40 ILE CB C 38.832 0.300 1 406 40 40 ILE CD1 C 14.052 0.300 1 407 40 40 ILE CG1 C 29.377 0.300 1 408 40 40 ILE CG2 C 16.461 0.300 1 409 40 40 ILE N N 120.968 0.300 1 410 41 41 CYS H H 8.702 0.030 1 411 41 41 CYS HA H 3.775 0.030 1 412 41 41 CYS HB2 H 2.846 0.030 2 413 41 41 CYS HB3 H 2.984 0.030 2 414 41 41 CYS C C 177.051 0.300 1 415 41 41 CYS CA C 65.359 0.300 1 416 41 41 CYS CB C 25.841 0.300 1 417 41 41 CYS N N 114.811 0.300 1 418 42 42 SER H H 7.944 0.030 1 419 42 42 SER HA H 4.308 0.030 1 420 42 42 SER HB2 H 4.017 0.030 1 421 42 42 SER HB3 H 4.017 0.030 1 422 42 42 SER C C 177.584 0.300 1 423 42 42 SER CA C 61.443 0.300 1 424 42 42 SER CB C 62.674 0.300 1 425 42 42 SER N N 114.764 0.300 1 426 43 43 LYS H H 7.612 0.030 1 427 43 43 LYS HA H 4.090 0.030 1 428 43 43 LYS HB2 H 1.798 0.030 1 429 43 43 LYS HB3 H 1.798 0.030 1 430 43 43 LYS HD2 H 1.650 0.030 1 431 43 43 LYS HD3 H 1.650 0.030 1 432 43 43 LYS HE2 H 2.995 0.030 2 433 43 43 LYS HE3 H 3.054 0.030 2 434 43 43 LYS HG2 H 1.413 0.030 2 435 43 43 LYS HG3 H 1.515 0.030 2 436 43 43 LYS C C 177.874 0.300 1 437 43 43 LYS CA C 57.506 0.300 1 438 43 43 LYS CB C 31.852 0.300 1 439 43 43 LYS CD C 28.166 0.300 1 440 43 43 LYS CE C 42.171 0.300 1 441 43 43 LYS CG C 24.905 0.300 1 442 43 43 LYS N N 120.561 0.300 1 443 44 44 CYS H H 7.057 0.030 1 444 44 44 CYS HA H 3.460 0.030 1 445 44 44 CYS HB2 H 1.005 0.030 2 446 44 44 CYS HB3 H 1.297 0.030 2 447 44 44 CYS C C 171.867 0.300 1 448 44 44 CYS CA C 59.022 0.300 1 449 44 44 CYS CB C 27.486 0.300 1 450 44 44 CYS N N 114.034 0.300 1 451 45 45 GLU H H 7.330 0.030 1 452 45 45 GLU HA H 3.787 0.030 1 453 45 45 GLU HB2 H 2.133 0.030 2 454 45 45 GLU HB3 H 2.203 0.030 2 455 45 45 GLU HG2 H 2.030 0.030 2 456 45 45 GLU HG3 H 2.109 0.030 2 457 45 45 GLU C C 175.646 0.300 1 458 45 45 GLU CA C 57.403 0.300 1 459 45 45 GLU CB C 26.591 0.300 1 460 45 45 GLU CG C 36.952 0.300 1 461 45 45 GLU N N 113.735 0.300 1 462 46 46 PHE H H 8.116 0.030 1 463 46 46 PHE HA H 5.189 0.030 1 464 46 46 PHE HB2 H 2.513 0.030 2 465 46 46 PHE HB3 H 3.513 0.030 2 466 46 46 PHE HD1 H 6.920 0.030 1 467 46 46 PHE HD2 H 6.920 0.030 1 468 46 46 PHE HE1 H 7.075 0.030 1 469 46 46 PHE HE2 H 7.075 0.030 1 470 46 46 PHE HZ H 7.055 0.030 1 471 46 46 PHE C C 175.888 0.300 1 472 46 46 PHE CA C 52.026 0.300 1 473 46 46 PHE CB C 41.029 0.300 1 474 46 46 PHE CD1 C 129.691 0.300 1 475 46 46 PHE CD2 C 129.691 0.300 1 476 46 46 PHE CE1 C 130.914 0.300 1 477 46 46 PHE CE2 C 130.914 0.300 1 478 46 46 PHE CZ C 129.049 0.300 1 479 46 46 PHE N N 117.854 0.300 1 480 47 47 ASP H H 8.807 0.030 1 481 47 47 ASP HA H 4.925 0.030 1 482 47 47 ASP HB2 H 2.697 0.030 2 483 47 47 ASP HB3 H 2.829 0.030 2 484 47 47 ASP C C 177.366 0.300 1 485 47 47 ASP CA C 50.971 0.300 1 486 47 47 ASP CB C 42.505 0.300 1 487 47 47 ASP N N 121.965 0.300 1 488 48 48 PRO HA H 4.747 0.030 1 489 48 48 PRO HB2 H 2.050 0.030 2 490 48 48 PRO HB3 H 2.210 0.030 2 491 48 48 PRO HD2 H 4.054 0.030 2 492 48 48 PRO HD3 H 4.093 0.030 2 493 48 48 PRO HG2 H 2.058 0.030 1 494 48 48 PRO HG3 H 2.058 0.030 1 495 48 48 PRO C C 178.165 0.300 1 496 48 48 PRO CA C 65.113 0.300 1 497 48 48 PRO CB C 32.255 0.300 1 498 48 48 PRO CD C 51.431 0.300 1 499 48 48 PRO CG C 27.207 0.300 1 500 49 49 LEU H H 8.292 0.030 1 501 49 49 LEU HA H 4.132 0.030 1 502 49 49 LEU HB2 H 1.140 0.030 2 503 49 49 LEU HB3 H 1.465 0.030 2 504 49 49 LEU HD1 H 0.914 0.030 1 505 49 49 LEU HD2 H 0.825 0.030 1 506 49 49 LEU HG H 1.515 0.030 1 507 49 49 LEU C C 177.802 0.300 1 508 49 49 LEU CA C 56.174 0.300 1 509 49 49 LEU CB C 41.534 0.300 1 510 49 49 LEU CD1 C 24.872 0.300 2 511 49 49 LEU CD2 C 22.910 0.300 2 512 49 49 LEU CG C 27.241 0.300 1 513 49 49 LEU N N 117.024 0.300 1 514 50 50 HIS H H 7.513 0.030 1 515 50 50 HIS HA H 4.897 0.030 1 516 50 50 HIS HB2 H 2.748 0.030 2 517 50 50 HIS HB3 H 3.584 0.030 2 518 50 50 HIS HD2 H 7.064 0.030 1 519 50 50 HIS HE1 H 8.160 0.030 1 520 50 50 HIS C C 173.393 0.300 1 521 50 50 HIS CA C 54.489 0.300 1 522 50 50 HIS CB C 31.268 0.300 1 523 50 50 HIS CD2 C 120.691 0.300 1 524 50 50 HIS CE1 C 137.666 0.300 1 525 50 50 HIS N N 114.865 0.300 1 526 51 51 THR H H 7.009 0.030 1 527 51 51 THR HA H 5.142 0.030 1 528 51 51 THR HB H 3.688 0.030 1 529 51 51 THR HG2 H 0.901 0.030 1 530 51 51 THR C C 173.272 0.300 1 531 51 51 THR CA C 62.668 0.300 1 532 51 51 THR CB C 70.580 0.300 1 533 51 51 THR CG2 C 21.453 0.300 1 534 51 51 THR N N 116.009 0.300 1 535 52 52 LEU H H 9.263 0.030 1 536 52 52 LEU HA H 4.838 0.030 1 537 52 52 LEU HB2 H 1.499 0.030 2 538 52 52 LEU HB3 H 1.567 0.030 2 539 52 52 LEU HD1 H 0.974 0.030 1 540 52 52 LEU HD2 H 0.926 0.030 1 541 52 52 LEU HG H 1.551 0.030 1 542 52 52 LEU C C 175.307 0.300 1 543 52 52 LEU CA C 53.046 0.300 1 544 52 52 LEU CB C 45.729 0.300 1 545 52 52 LEU CD1 C 24.883 0.300 2 546 52 52 LEU CD2 C 24.447 0.300 2 547 52 52 LEU CG C 26.960 0.300 1 548 52 52 LEU N N 129.459 0.300 1 549 53 53 LEU H H 8.866 0.030 1 550 53 53 LEU HA H 5.112 0.030 1 551 53 53 LEU HB2 H 1.127 0.030 2 552 53 53 LEU HB3 H 2.001 0.030 2 553 53 53 LEU HD1 H 0.805 0.030 1 554 53 53 LEU HD2 H 0.725 0.030 1 555 53 53 LEU HG H 1.813 0.030 1 556 53 53 LEU C C 175.379 0.300 1 557 53 53 LEU CA C 53.940 0.300 1 558 53 53 LEU CB C 41.116 0.300 1 559 53 53 LEU CD1 C 25.843 0.300 2 560 53 53 LEU CD2 C 22.512 0.300 2 561 53 53 LEU CG C 26.539 0.300 1 562 53 53 LEU N N 122.717 0.300 1 563 54 54 LEU H H 9.672 0.030 1 564 54 54 LEU HA H 5.043 0.030 1 565 54 54 LEU HB2 H 1.478 0.030 2 566 54 54 LEU HB3 H 1.754 0.030 2 567 54 54 LEU HD1 H 0.702 0.030 1 568 54 54 LEU HD2 H 0.933 0.030 1 569 54 54 LEU HG H 1.705 0.030 1 570 54 54 LEU C C 176.373 0.300 1 571 54 54 LEU CA C 52.694 0.300 1 572 54 54 LEU CB C 46.614 0.300 1 573 54 54 LEU CD1 C 23.094 0.300 2 574 54 54 LEU CD2 C 26.841 0.300 2 575 54 54 LEU CG C 26.774 0.300 1 576 54 54 LEU N N 124.677 0.300 1 577 55 55 LYS H H 9.305 0.030 1 578 55 55 LYS HA H 3.960 0.030 1 579 55 55 LYS HB2 H 1.839 0.030 1 580 55 55 LYS HB3 H 1.839 0.030 1 581 55 55 LYS HD2 H 1.705 0.030 2 582 55 55 LYS HD3 H 1.760 0.030 2 583 55 55 LYS HE2 H 2.988 0.030 1 584 55 55 LYS HE3 H 2.988 0.030 1 585 55 55 LYS HG2 H 1.435 0.030 2 586 55 55 LYS HG3 H 1.528 0.030 2 587 55 55 LYS C C 176.542 0.300 1 588 55 55 LYS CA C 60.770 0.300 1 589 55 55 LYS CB C 33.607 0.300 1 590 55 55 LYS CD C 29.550 0.300 1 591 55 55 LYS CE C 42.089 0.300 1 592 55 55 LYS CG C 25.152 0.300 1 593 55 55 LYS N N 121.306 0.300 1 594 56 56 ASP H H 7.359 0.030 1 595 56 56 ASP HA H 4.529 0.030 1 596 56 56 ASP HB2 H 2.926 0.030 2 597 56 56 ASP HB3 H 3.059 0.030 2 598 56 56 ASP C C 174.604 0.300 1 599 56 56 ASP CA C 52.999 0.300 1 600 56 56 ASP CB C 42.203 0.300 1 601 56 56 ASP N N 108.631 0.300 1 602 57 57 TYR H H 8.477 0.030 1 603 57 57 TYR HA H 3.343 0.030 1 604 57 57 TYR HB2 H 2.343 0.030 1 605 57 57 TYR HB3 H 2.343 0.030 1 606 57 57 TYR HD1 H 6.652 0.030 1 607 57 57 TYR HD2 H 6.652 0.030 1 608 57 57 TYR HE1 H 6.741 0.030 1 609 57 57 TYR HE2 H 6.741 0.030 1 610 57 57 TYR C C 175.985 0.300 1 611 57 57 TYR CA C 60.188 0.300 1 612 57 57 TYR CB C 38.244 0.300 1 613 57 57 TYR CD1 C 133.001 0.300 1 614 57 57 TYR CD2 C 133.001 0.300 1 615 57 57 TYR CE1 C 117.851 0.300 1 616 57 57 TYR CE2 C 117.851 0.300 1 617 57 57 TYR N N 118.490 0.300 1 618 58 58 GLN H H 8.078 0.030 1 619 58 58 GLN HA H 3.894 0.030 1 620 58 58 GLN HB2 H 1.994 0.030 1 621 58 58 GLN HB3 H 1.994 0.030 1 622 58 58 GLN HE21 H 6.825 0.030 2 623 58 58 GLN HE22 H 7.504 0.030 2 624 58 58 GLN HG2 H 2.197 0.030 2 625 58 58 GLN HG3 H 2.259 0.030 2 626 58 58 GLN C C 177.148 0.300 1 627 58 58 GLN CA C 57.725 0.300 1 628 58 58 GLN CB C 28.390 0.300 1 629 58 58 GLN CG C 34.113 0.300 1 630 58 58 GLN N N 116.598 0.300 1 631 58 58 GLN NE2 N 112.087 0.300 1 632 59 59 SER H H 8.589 0.030 1 633 59 59 SER HA H 4.241 0.030 1 634 59 59 SER HB2 H 3.966 0.030 2 635 59 59 SER HB3 H 4.060 0.030 2 636 59 59 SER C C 175.089 0.300 1 637 59 59 SER CA C 60.108 0.300 1 638 59 59 SER CB C 63.909 0.300 1 639 59 59 SER N N 115.632 0.300 1 640 60 60 GLN H H 7.841 0.030 1 641 60 60 GLN HA H 3.842 0.030 1 642 60 60 GLN HB2 H 2.017 0.030 2 643 60 60 GLN HB3 H 2.259 0.030 2 644 60 60 GLN HE21 H 7.174 0.030 2 645 60 60 GLN HE22 H 6.312 0.030 2 646 60 60 GLN HG2 H 2.053 0.030 2 647 60 60 GLN HG3 H 2.211 0.030 2 648 60 60 GLN C C 174.507 0.300 1 649 60 60 GLN CA C 56.916 0.300 1 650 60 60 GLN CB C 27.157 0.300 1 651 60 60 GLN CG C 33.801 0.300 1 652 60 60 GLN N N 116.939 0.300 1 653 60 60 GLN NE2 N 111.665 0.300 1 654 61 61 GLU H H 7.768 0.030 1 655 61 61 GLU HA H 4.640 0.030 1 656 61 61 GLU HB2 H 1.915 0.030 2 657 61 61 GLU HB3 H 1.984 0.030 2 658 61 61 GLU HG2 H 2.265 0.030 2 659 61 61 GLU HG3 H 2.199 0.030 2 660 61 61 GLU C C 173.805 0.300 1 661 61 61 GLU CA C 54.067 0.300 1 662 61 61 GLU CB C 30.997 0.300 1 663 61 61 GLU CG C 35.663 0.300 1 664 61 61 GLU N N 119.921 0.300 1 665 62 62 PRO HA H 4.638 0.030 1 666 62 62 PRO HB2 H 2.040 0.030 2 667 62 62 PRO HB3 H 2.270 0.030 2 668 62 62 PRO HD2 H 4.177 0.030 2 669 62 62 PRO HD3 H 3.754 0.030 2 670 62 62 PRO HG2 H 1.955 0.030 2 671 62 62 PRO HG3 H 2.186 0.030 2 672 62 62 PRO C C 177.148 0.300 1 673 62 62 PRO CA C 62.899 0.300 1 674 62 62 PRO CB C 32.419 0.300 1 675 62 62 PRO CD C 51.051 0.300 1 676 62 62 PRO CG C 27.724 0.300 1 677 63 63 LEU H H 7.952 0.030 1 678 63 63 LEU HA H 4.332 0.030 1 679 63 63 LEU HB2 H 1.432 0.030 2 680 63 63 LEU HB3 H 1.074 0.030 2 681 63 63 LEU HD1 H 0.841 0.030 1 682 63 63 LEU HD2 H 0.647 0.030 1 683 63 63 LEU HG H 1.543 0.030 1 684 63 63 LEU C C 176.687 0.300 1 685 63 63 LEU CA C 54.095 0.300 1 686 63 63 LEU CB C 43.165 0.300 1 687 63 63 LEU CD1 C 23.607 0.300 2 688 63 63 LEU CD2 C 26.978 0.300 2 689 63 63 LEU CG C 27.241 0.300 1 690 63 63 LEU N N 122.046 0.300 1 691 64 64 ASP H H 8.123 0.030 1 692 64 64 ASP HA H 4.468 0.030 1 693 64 64 ASP HB2 H 2.687 0.030 2 694 64 64 ASP HB3 H 2.858 0.030 2 695 64 64 ASP C C 176.203 0.300 1 696 64 64 ASP CA C 53.710 0.300 1 697 64 64 ASP CB C 40.662 0.300 1 698 64 64 ASP N N 121.374 0.300 1 699 65 65 LEU H H 8.330 0.030 1 700 65 65 LEU HA H 4.211 0.030 1 701 65 65 LEU HB2 H 1.462 0.030 2 702 65 65 LEU HB3 H 1.893 0.030 2 703 65 65 LEU HD1 H 1.036 0.030 1 704 65 65 LEU HD2 H 0.841 0.030 1 705 65 65 LEU HG H 1.980 0.030 1 706 65 65 LEU C C 177.559 0.300 1 707 65 65 LEU CA C 56.459 0.300 1 708 65 65 LEU CB C 42.051 0.300 1 709 65 65 LEU CD1 C 25.848 0.300 2 710 65 65 LEU CD2 C 23.370 0.300 2 711 65 65 LEU CG C 26.800 0.300 1 712 65 65 LEU N N 124.833 0.300 1 713 66 66 THR H H 8.638 0.030 1 714 66 66 THR HA H 4.428 0.030 1 715 66 66 THR HB H 4.399 0.030 1 716 66 66 THR HG2 H 1.327 0.030 1 717 66 66 THR C C 175.379 0.300 1 718 66 66 THR CA C 62.915 0.300 1 719 66 66 THR CB C 69.756 0.300 1 720 66 66 THR CG2 C 21.793 0.300 1 721 66 66 THR N N 107.283 0.300 1 722 67 67 LYS H H 7.600 0.030 1 723 67 67 LYS HA H 4.660 0.030 1 724 67 67 LYS HB2 H 2.003 0.030 2 725 67 67 LYS HB3 H 2.084 0.030 2 726 67 67 LYS HD2 H 1.608 0.030 1 727 67 67 LYS HD3 H 1.608 0.030 1 728 67 67 LYS HE2 H 2.938 0.030 2 729 67 67 LYS HE3 H 3.012 0.030 2 730 67 67 LYS HG2 H 1.345 0.030 2 731 67 67 LYS HG3 H 1.494 0.030 2 732 67 67 LYS C C 174.943 0.300 1 733 67 67 LYS CA C 54.172 0.300 1 734 67 67 LYS CB C 34.886 0.300 1 735 67 67 LYS CD C 28.934 0.300 1 736 67 67 LYS CE C 42.664 0.300 1 737 67 67 LYS CG C 25.574 0.300 1 738 67 67 LYS N N 122.600 0.300 1 739 68 68 SER H H 8.895 0.030 1 740 68 68 SER HA H 4.991 0.030 1 741 68 68 SER HB2 H 3.490 0.030 2 742 68 68 SER HB3 H 4.233 0.030 2 743 68 68 SER C C 176.082 0.300 1 744 68 68 SER CA C 55.720 0.300 1 745 68 68 SER CB C 67.625 0.300 1 746 68 68 SER N N 115.193 0.300 1 747 69 69 LEU H H 9.374 0.030 1 748 69 69 LEU HA H 4.007 0.030 1 749 69 69 LEU HB2 H 1.554 0.030 2 750 69 69 LEU HB3 H 1.862 0.030 2 751 69 69 LEU HD1 H 0.679 0.030 1 752 69 69 LEU HD2 H 0.649 0.030 1 753 69 69 LEU HG H 1.880 0.030 1 754 69 69 LEU C C 180.636 0.300 1 755 69 69 LEU CA C 58.570 0.300 1 756 69 69 LEU CB C 40.256 0.300 1 757 69 69 LEU CD1 C 22.681 0.300 2 758 69 69 LEU CD2 C 27.981 0.300 2 759 69 69 LEU CG C 26.774 0.300 1 760 69 69 LEU N N 118.911 0.300 1 761 70 70 ASN H H 8.323 0.030 1 762 70 70 ASN HA H 4.688 0.030 1 763 70 70 ASN HB2 H 2.790 0.030 1 764 70 70 ASN HB3 H 2.790 0.030 1 765 70 70 ASN HD21 H 7.272 0.030 2 766 70 70 ASN HD22 H 7.003 0.030 2 767 70 70 ASN C C 178.698 0.300 1 768 70 70 ASN CA C 55.157 0.300 1 769 70 70 ASN CB C 37.459 0.300 1 770 70 70 ASN N N 117.774 0.300 1 771 70 70 ASN ND2 N 110.397 0.300 1 772 71 71 ASP H H 8.339 0.030 1 773 71 71 ASP HA H 4.336 0.030 1 774 71 71 ASP HB2 H 2.710 0.030 2 775 71 71 ASP HB3 H 3.185 0.030 2 776 71 71 ASP C C 178.746 0.300 1 777 71 71 ASP CA C 57.506 0.300 1 778 71 71 ASP CB C 41.299 0.300 1 779 71 71 ASP N N 122.784 0.300 1 780 72 72 LEU H H 7.889 0.030 1 781 72 72 LEU HA H 4.280 0.030 1 782 72 72 LEU HB2 H 1.585 0.030 2 783 72 72 LEU HB3 H 1.733 0.030 2 784 72 72 LEU HD1 H 0.881 0.030 1 785 72 72 LEU HD2 H 0.992 0.030 1 786 72 72 LEU HG H 1.906 0.030 1 787 72 72 LEU C C 177.414 0.300 1 788 72 72 LEU CA C 55.333 0.300 1 789 72 72 LEU CB C 43.747 0.300 1 790 72 72 LEU CD1 C 26.796 0.300 2 791 72 72 LEU CD2 C 22.891 0.300 2 792 72 72 LEU CG C 26.774 0.300 1 793 72 72 LEU N N 116.403 0.300 1 794 73 73 GLY H H 8.051 0.030 1 795 73 73 GLY HA2 H 3.983 0.030 1 796 73 73 GLY HA3 H 3.983 0.030 1 797 73 73 GLY C C 174.653 0.300 1 798 73 73 GLY CA C 46.503 0.300 1 799 73 73 GLY N N 109.876 0.300 1 800 74 74 LEU H H 7.486 0.030 1 801 74 74 LEU HA H 4.898 0.030 1 802 74 74 LEU HB2 H 1.754 0.030 2 803 74 74 LEU HB3 H 1.643 0.030 2 804 74 74 LEU HD1 H 1.047 0.030 1 805 74 74 LEU HD2 H 1.013 0.030 1 806 74 74 LEU HG H 1.639 0.030 1 807 74 74 LEU C C 177.778 0.300 1 808 74 74 LEU CA C 54.031 0.300 1 809 74 74 LEU CB C 46.630 0.300 1 810 74 74 LEU CD1 C 23.205 0.300 2 811 74 74 LEU CD2 C 26.385 0.300 2 812 74 74 LEU CG C 26.311 0.300 1 813 74 74 LEU N N 116.460 0.300 1 814 75 75 ARG H H 9.127 0.030 1 815 75 75 ARG HA H 4.396 0.030 1 816 75 75 ARG HB2 H 1.734 0.030 2 817 75 75 ARG HB3 H 2.438 0.030 2 818 75 75 ARG HD2 H 3.111 0.030 2 819 75 75 ARG HD3 H 3.389 0.030 2 820 75 75 ARG HG2 H 1.740 0.030 2 821 75 75 ARG HG3 H 1.558 0.030 2 822 75 75 ARG C C 173.974 0.300 1 823 75 75 ARG CA C 53.989 0.300 1 824 75 75 ARG CB C 31.104 0.300 1 825 75 75 ARG CD C 42.666 0.300 1 826 75 75 ARG CG C 26.714 0.300 1 827 75 75 ARG N N 118.379 0.300 1 828 76 76 GLU H H 7.576 0.030 1 829 76 76 GLU HA H 5.685 0.030 1 830 76 76 GLU HB2 H 2.128 0.030 2 831 76 76 GLU HB3 H 2.031 0.030 2 832 76 76 GLU HG2 H 2.321 0.030 1 833 76 76 GLU HG3 H 2.321 0.030 1 834 76 76 GLU C C 173.853 0.300 1 835 76 76 GLU CA C 54.911 0.300 1 836 76 76 GLU CB C 33.033 0.300 1 837 76 76 GLU CG C 35.336 0.300 1 838 76 76 GLU N N 120.467 0.300 1 839 77 77 LEU H H 8.634 0.030 1 840 77 77 LEU HA H 4.924 0.030 1 841 77 77 LEU HB2 H 1.810 0.030 2 842 77 77 LEU HB3 H 1.926 0.030 2 843 77 77 LEU HD1 H 0.777 0.030 1 844 77 77 LEU HD2 H 0.646 0.030 1 845 77 77 LEU HG H 1.495 0.030 1 846 77 77 LEU C C 173.853 0.300 1 847 77 77 LEU CA C 55.087 0.300 1 848 77 77 LEU CB C 43.946 0.300 1 849 77 77 LEU CD1 C 26.878 0.300 2 850 77 77 LEU CD2 C 27.010 0.300 2 851 77 77 LEU CG C 26.080 0.300 1 852 77 77 LEU N N 118.274 0.300 1 853 78 78 TYR H H 9.060 0.030 1 854 78 78 TYR HA H 5.446 0.030 1 855 78 78 TYR HB2 H 2.612 0.030 2 856 78 78 TYR HB3 H 2.775 0.030 2 857 78 78 TYR HD1 H 6.932 0.030 1 858 78 78 TYR HD2 H 6.932 0.030 1 859 78 78 TYR HE1 H 6.618 0.030 1 860 78 78 TYR HE2 H 6.618 0.030 1 861 78 78 TYR C C 173.030 0.300 1 862 78 78 TYR CA C 56.529 0.300 1 863 78 78 TYR CB C 41.537 0.300 1 864 78 78 TYR CD1 C 133.091 0.300 1 865 78 78 TYR CD2 C 133.091 0.300 1 866 78 78 TYR CE1 C 117.366 0.300 1 867 78 78 TYR CE2 C 117.366 0.300 1 868 78 78 TYR N N 121.831 0.300 1 869 79 79 ALA H H 8.399 0.030 1 870 79 79 ALA HA H 4.973 0.030 1 871 79 79 ALA HB H 0.868 0.030 1 872 79 79 ALA C C 173.393 0.300 1 873 79 79 ALA CA C 49.928 0.300 1 874 79 79 ALA CB C 20.173 0.300 1 875 79 79 ALA N N 131.188 0.300 1 876 80 80 MET H H 9.163 0.030 1 877 80 80 MET HA H 4.619 0.030 1 878 80 80 MET HB2 H 2.351 0.030 2 879 80 80 MET HB3 H 2.010 0.030 2 880 80 80 MET HE H 2.124 0.030 1 881 80 80 MET HG2 H 2.712 0.030 2 882 80 80 MET HG3 H 2.335 0.030 2 883 80 80 MET C C 173.563 0.300 1 884 80 80 MET CA C 54.934 0.300 1 885 80 80 MET CB C 36.695 0.300 1 886 80 80 MET CE C 17.977 0.300 1 887 80 80 MET CG C 32.112 0.300 1 888 80 80 MET N N 124.187 0.300 1 889 81 81 ASP H H 8.440 0.030 1 890 81 81 ASP HA H 4.775 0.030 1 891 81 81 ASP HB2 H 2.009 0.030 2 892 81 81 ASP HB3 H 2.222 0.030 2 893 81 81 ASP C C 176.784 0.300 1 894 81 81 ASP CA C 52.976 0.300 1 895 81 81 ASP CB C 40.217 0.300 1 896 81 81 ASP N N 127.082 0.300 1 897 82 82 VAL H H 8.336 0.030 1 898 82 82 VAL HA H 4.129 0.030 1 899 82 82 VAL HB H 2.222 0.030 1 900 82 82 VAL HG1 H 0.944 0.030 1 901 82 82 VAL HG2 H 0.976 0.030 1 902 82 82 VAL C C 176.591 0.300 1 903 82 82 VAL CA C 63.178 0.300 1 904 82 82 VAL CB C 32.255 0.300 1 905 82 82 VAL CG1 C 19.890 0.300 2 906 82 82 VAL CG2 C 21.810 0.300 2 907 82 82 VAL N N 121.322 0.300 1 908 83 83 ASN H H 8.575 0.030 1 909 83 83 ASN HA H 4.642 0.030 1 910 83 83 ASN HB2 H 2.739 0.030 2 911 83 83 ASN HB3 H 2.782 0.030 2 912 83 83 ASN HD21 H 7.654 0.030 2 913 83 83 ASN HD22 H 6.486 0.030 2 914 83 83 ASN C C 176.009 0.300 1 915 83 83 ASN CA C 54.172 0.300 1 916 83 83 ASN CB C 38.601 0.300 1 917 83 83 ASN N N 119.443 0.300 1 918 83 83 ASN ND2 N 112.710 0.300 1 919 84 84 ARG H H 7.937 0.030 1 920 84 84 ARG HA H 4.401 0.030 1 921 84 84 ARG HB2 H 1.688 0.030 2 922 84 84 ARG HB3 H 1.929 0.030 2 923 84 84 ARG HD2 H 3.197 0.030 1 924 84 84 ARG HD3 H 3.197 0.030 1 925 84 84 ARG HG2 H 1.558 0.030 1 926 84 84 ARG HG3 H 1.558 0.030 1 927 84 84 ARG C C 176.445 0.300 1 928 84 84 ARG CA C 56.213 0.300 1 929 84 84 ARG CB C 31.791 0.300 1 930 84 84 ARG CD C 43.218 0.300 1 931 84 84 ARG CG C 27.236 0.300 1 932 84 84 ARG N N 119.391 0.300 1 933 85 85 GLU H H 8.309 0.030 1 934 85 85 GLU HA H 4.486 0.030 1 935 85 85 GLU HB2 H 2.195 0.030 2 936 85 85 GLU HB3 H 2.053 0.030 2 937 85 85 GLU HG2 H 2.338 0.030 1 938 85 85 GLU HG3 H 2.338 0.030 1 939 85 85 GLU C C 175.888 0.300 1 940 85 85 GLU CA C 56.388 0.300 1 941 85 85 GLU CB C 31.245 0.300 1 942 85 85 GLU CG C 36.909 0.300 1 943 85 85 GLU N N 120.191 0.300 1 944 86 86 SER H H 8.219 0.030 1 945 86 86 SER HA H 4.549 0.030 1 946 86 86 SER HB2 H 3.907 0.030 1 947 86 86 SER HB3 H 3.907 0.030 1 948 86 86 SER C C 174.580 0.300 1 949 86 86 SER CA C 58.253 0.300 1 950 86 86 SER CB C 64.402 0.300 1 951 86 86 SER N N 115.711 0.300 1 952 87 87 GLY H H 8.327 0.030 1 953 87 87 GLY HA2 H 4.160 0.030 2 954 87 87 GLY HA3 H 4.050 0.030 2 955 87 87 GLY C C 171.818 0.300 1 956 87 87 GLY CA C 44.818 0.300 1 957 87 87 GLY N N 110.623 0.300 1 958 88 88 PRO HA H 4.484 0.030 1 959 88 88 PRO HB2 H 2.287 0.030 2 960 88 88 PRO HB3 H 1.978 0.030 2 961 88 88 PRO HD2 H 3.490 0.030 2 962 88 88 PRO HD3 H 3.581 0.030 2 963 88 88 PRO HG2 H 1.995 0.030 1 964 88 88 PRO HG3 H 1.995 0.030 1 965 88 88 PRO C C 177.366 0.300 1 966 88 88 PRO CA C 63.354 0.300 1 967 88 88 PRO CB C 32.172 0.300 1 968 88 88 PRO CD C 49.771 0.300 1 969 88 88 PRO CG C 27.207 0.300 1 970 89 89 SER H H 8.518 0.030 1 971 89 89 SER C C 174.798 0.300 1 972 89 89 SER CA C 58.394 0.300 1 973 89 89 SER CB C 64.104 0.300 1 974 89 89 SER N N 116.287 0.300 1 stop_ save_