data_11293 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the LIM domain of human Cysteine-rich protein 2 ; _BMRB_accession_number 11293 _BMRB_flat_file_name bmr11293.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 Yoneyama M. . . 2 Sasagawa A. . . 3 Tomizawa T. . . 4 Tochio N. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 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" 401 "13C chemical shifts" 300 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the LIM domain of human Cysteine-rich protein 2' _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 Yoneyama M. . . 2 Sasagawa A. . . 3 Tomizawa T. . . 4 Tochio N. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 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 'Cysteine-rich protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LIM domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN 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 'LIM domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; GSSGSSGMASKCPKCDKTVY FAEKVSSLGKDWHKFCLKCE RCSKTLTPGGHAEHDGKPFC HKPCYATLFGSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 ALA 10 SER 11 LYS 12 CYS 13 PRO 14 LYS 15 CYS 16 ASP 17 LYS 18 THR 19 VAL 20 TYR 21 PHE 22 ALA 23 GLU 24 LYS 25 VAL 26 SER 27 SER 28 LEU 29 GLY 30 LYS 31 ASP 32 TRP 33 HIS 34 LYS 35 PHE 36 CYS 37 LEU 38 LYS 39 CYS 40 GLU 41 ARG 42 CYS 43 SER 44 LYS 45 THR 46 LEU 47 THR 48 PRO 49 GLY 50 GLY 51 HIS 52 ALA 53 GLU 54 HIS 55 ASP 56 GLY 57 LYS 58 PRO 59 PHE 60 CYS 61 HIS 62 LYS 63 PRO 64 CYS 65 TYR 66 ALA 67 THR 68 LEU 69 PHE 70 GLY 71 SER 72 GLY 73 PRO 74 SER 75 SER 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 2CU8 "Solution Structure Of The Lim Domain Of Human Cysteine-Rich Protein 2" 100.00 76 100.00 100.00 7.95e-46 DBJ BAH13206 "unnamed protein product [Homo sapiens]" 64.47 282 100.00 100.00 1.27e-25 GB EDL18559 "cysteine rich protein 2, isoform CRA_a, partial [Mus musculus]" 64.47 209 97.96 100.00 1.37e-25 GB EDL97393 "rCG27687, isoform CRA_a [Rattus norvegicus]" 73.68 134 98.21 100.00 2.57e-31 GB EDL97397 "rCG27687, isoform CRA_d [Rattus norvegicus]" 82.89 103 98.41 100.00 6.25e-38 GB EFB24298 "hypothetical protein PANDA_019001, partial [Ailuropoda melanoleuca]" 64.47 194 100.00 100.00 5.49e-26 GB EGV94916 "Cysteine-rich protein 2 [Cricetulus griseus]" 64.47 212 97.96 100.00 1.10e-25 REF NP_001257766 "cysteine-rich protein 2 isoform 2 [Homo sapiens]" 64.47 282 100.00 100.00 1.27e-25 REF XP_002189362 "PREDICTED: cysteine-rich protein 2 [Taeniopygia guttata]" 64.47 198 97.96 100.00 9.74e-26 REF XP_002808516 "PREDICTED: LOW QUALITY PROTEIN: cysteine-rich protein 2-like [Macaca mulatta]" 64.47 281 100.00 100.00 1.76e-25 REF XP_002928938 "PREDICTED: cysteine-rich protein 2 [Ailuropoda melanoleuca]" 64.47 223 100.00 100.00 1.29e-25 REF XP_004055856 "PREDICTED: uncharacterized protein LOC101137811, partial [Gorilla gorilla gorilla]" 63.16 456 100.00 100.00 3.63e-24 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P040614-03 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.44mM LIM domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 2mM {d-DTT;} 0.02% {NaN3;} 0.01mM {ZnCl2;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.44 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 2 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.01 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.9295 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 Bruker _Model AVANCE _Field_strength 600 _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 $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 'LIM 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 3.920 0.030 1 2 7 7 GLY HA3 H 3.920 0.030 1 3 7 7 GLY C C 174.070 0.300 1 4 7 7 GLY CA C 45.388 0.300 1 5 8 8 MET H H 8.131 0.030 1 6 8 8 MET HA H 4.434 0.030 1 7 8 8 MET HB2 H 2.054 0.030 2 8 8 8 MET HB3 H 1.956 0.030 2 9 8 8 MET HE H 2.047 0.030 1 10 8 8 MET HG2 H 2.557 0.030 2 11 8 8 MET HG3 H 2.480 0.030 2 12 8 8 MET C C 175.697 0.300 1 13 8 8 MET CA C 55.399 0.300 1 14 8 8 MET CB C 33.029 0.300 1 15 8 8 MET CE C 16.943 0.300 1 16 8 8 MET CG C 31.958 0.300 1 17 8 8 MET N N 119.876 0.300 1 18 9 9 ALA H H 8.258 0.030 1 19 9 9 ALA HA H 4.383 0.030 1 20 9 9 ALA HB H 1.267 0.030 1 21 9 9 ALA C C 177.137 0.300 1 22 9 9 ALA CA C 52.157 0.300 1 23 9 9 ALA CB C 19.825 0.300 1 24 9 9 ALA N N 125.576 0.300 1 25 10 10 SER H H 8.353 0.030 1 26 10 10 SER HA H 4.399 0.030 1 27 10 10 SER HB2 H 3.796 0.030 2 28 10 10 SER HB3 H 3.704 0.030 2 29 10 10 SER C C 172.838 0.300 1 30 10 10 SER CA C 57.804 0.300 1 31 10 10 SER CB C 64.361 0.300 1 32 10 10 SER N N 116.624 0.300 1 33 11 11 LYS H H 8.293 0.030 1 34 11 11 LYS HA H 4.216 0.030 1 35 11 11 LYS HB2 H 1.487 0.030 2 36 11 11 LYS HB3 H 1.257 0.030 2 37 11 11 LYS HD2 H 1.482 0.030 2 38 11 11 LYS HD3 H 1.376 0.030 2 39 11 11 LYS HE2 H 2.826 0.030 1 40 11 11 LYS HE3 H 2.826 0.030 1 41 11 11 LYS HG2 H 1.230 0.030 2 42 11 11 LYS HG3 H 1.008 0.030 2 43 11 11 LYS C C 175.440 0.300 1 44 11 11 LYS CA C 54.727 0.300 1 45 11 11 LYS CB C 33.877 0.300 1 46 11 11 LYS CD C 28.755 0.300 1 47 11 11 LYS CE C 41.802 0.300 1 48 11 11 LYS CG C 24.629 0.300 1 49 11 11 LYS N N 121.088 0.300 1 50 12 12 CYS H H 8.169 0.030 1 51 12 12 CYS HA H 4.639 0.030 1 52 12 12 CYS HB2 H 3.520 0.030 2 53 12 12 CYS HB3 H 2.388 0.030 2 54 12 12 CYS C C 175.988 0.300 1 55 12 12 CYS CA C 56.354 0.300 1 56 12 12 CYS CB C 32.083 0.300 1 57 12 12 CYS N N 129.685 0.300 1 58 13 13 PRO HA H 4.075 0.030 1 59 13 13 PRO HB2 H 1.965 0.030 2 60 13 13 PRO HB3 H 1.421 0.030 2 61 13 13 PRO HD2 H 3.739 0.030 2 62 13 13 PRO HD3 H 2.604 0.030 2 63 13 13 PRO HG2 H 0.115 0.030 2 64 13 13 PRO HG3 H 1.048 0.030 2 65 13 13 PRO C C 177.155 0.300 1 66 13 13 PRO CA C 64.042 0.300 1 67 13 13 PRO CB C 32.082 0.300 1 68 13 13 PRO CD C 51.390 0.300 1 69 13 13 PRO CG C 26.945 0.300 1 70 14 14 LYS H H 8.237 0.030 1 71 14 14 LYS HA H 4.427 0.030 1 72 14 14 LYS HB2 H 2.458 0.030 2 73 14 14 LYS HB3 H 2.270 0.030 2 74 14 14 LYS HD2 H 2.101 0.030 2 75 14 14 LYS HD3 H 1.986 0.030 2 76 14 14 LYS HE2 H 3.157 0.030 1 77 14 14 LYS HE3 H 3.157 0.030 1 78 14 14 LYS HG2 H 1.802 0.030 2 79 14 14 LYS HG3 H 1.562 0.030 2 80 14 14 LYS C C 177.105 0.300 1 81 14 14 LYS CA C 58.450 0.300 1 82 14 14 LYS CB C 33.744 0.300 1 83 14 14 LYS CD C 29.652 0.300 1 84 14 14 LYS CE C 42.806 0.300 1 85 14 14 LYS CG C 25.528 0.300 1 86 14 14 LYS N N 118.078 0.300 1 87 15 15 CYS H H 7.489 0.030 1 88 15 15 CYS HA H 4.923 0.030 1 89 15 15 CYS HB2 H 3.269 0.030 2 90 15 15 CYS HB3 H 2.874 0.030 2 91 15 15 CYS C C 175.629 0.300 1 92 15 15 CYS CA C 57.910 0.300 1 93 15 15 CYS CB C 32.056 0.300 1 94 15 15 CYS N N 114.140 0.300 1 95 16 16 ASP H H 8.349 0.030 1 96 16 16 ASP HA H 4.381 0.030 1 97 16 16 ASP HB2 H 3.046 0.030 2 98 16 16 ASP HB3 H 2.489 0.030 2 99 16 16 ASP C C 174.484 0.300 1 100 16 16 ASP CA C 56.288 0.300 1 101 16 16 ASP CB C 41.034 0.300 1 102 16 16 ASP N N 121.542 0.300 1 103 17 17 LYS H H 8.090 0.030 1 104 17 17 LYS HA H 4.823 0.030 1 105 17 17 LYS HB2 H 2.139 0.030 2 106 17 17 LYS HB3 H 2.056 0.030 2 107 17 17 LYS HD2 H 1.692 0.030 1 108 17 17 LYS HD3 H 1.692 0.030 1 109 17 17 LYS HE2 H 3.036 0.030 1 110 17 17 LYS HE3 H 3.036 0.030 1 111 17 17 LYS HG2 H 1.588 0.030 2 112 17 17 LYS HG3 H 1.478 0.030 2 113 17 17 LYS C C 177.007 0.300 1 114 17 17 LYS CA C 54.603 0.300 1 115 17 17 LYS CB C 34.733 0.300 1 116 17 17 LYS CD C 28.746 0.300 1 117 17 17 LYS CE C 42.497 0.300 1 118 17 17 LYS CG C 25.165 0.300 1 119 17 17 LYS N N 116.956 0.300 1 120 18 18 THR H H 8.501 0.030 1 121 18 18 THR HA H 4.023 0.030 1 122 18 18 THR HB H 3.707 0.030 1 123 18 18 THR HG2 H 0.657 0.030 1 124 18 18 THR C C 173.904 0.300 1 125 18 18 THR CA C 64.265 0.300 1 126 18 18 THR CB C 69.542 0.300 1 127 18 18 THR CG2 C 22.269 0.300 1 128 18 18 THR N N 118.087 0.300 1 129 19 19 VAL H H 8.478 0.030 1 130 19 19 VAL HA H 3.958 0.030 1 131 19 19 VAL HB H 1.232 0.030 1 132 19 19 VAL HG1 H 0.401 0.030 1 133 19 19 VAL HG2 H 0.120 0.030 1 134 19 19 VAL C C 174.317 0.300 1 135 19 19 VAL CA C 60.245 0.300 1 136 19 19 VAL CB C 32.537 0.300 1 137 19 19 VAL CG1 C 20.719 0.300 2 138 19 19 VAL CG2 C 20.929 0.300 2 139 19 19 VAL N N 127.512 0.300 1 140 20 20 TYR H H 9.084 0.030 1 141 20 20 TYR HA H 4.672 0.030 1 142 20 20 TYR HB2 H 3.269 0.030 2 143 20 20 TYR HB3 H 2.898 0.030 2 144 20 20 TYR HD1 H 7.268 0.030 1 145 20 20 TYR HD2 H 7.268 0.030 1 146 20 20 TYR HE1 H 6.825 0.030 1 147 20 20 TYR HE2 H 6.825 0.030 1 148 20 20 TYR C C 177.195 0.300 1 149 20 20 TYR CA C 57.928 0.300 1 150 20 20 TYR CB C 38.729 0.300 1 151 20 20 TYR CD1 C 133.111 0.300 1 152 20 20 TYR CD2 C 133.111 0.300 1 153 20 20 TYR CE1 C 118.163 0.300 1 154 20 20 TYR CE2 C 118.163 0.300 1 155 20 20 TYR N N 128.907 0.300 1 156 21 21 PHE H H 8.640 0.030 1 157 21 21 PHE HA H 3.992 0.030 1 158 21 21 PHE HB2 H 3.286 0.030 2 159 21 21 PHE HB3 H 3.046 0.030 2 160 21 21 PHE HD1 H 7.198 0.030 1 161 21 21 PHE HD2 H 7.198 0.030 1 162 21 21 PHE HE1 H 7.357 0.030 1 163 21 21 PHE HE2 H 7.357 0.030 1 164 21 21 PHE HZ H 7.312 0.030 1 165 21 21 PHE C C 177.387 0.300 1 166 21 21 PHE CA C 62.247 0.300 1 167 21 21 PHE CB C 39.357 0.300 1 168 21 21 PHE CD1 C 131.723 0.300 1 169 21 21 PHE CD2 C 131.723 0.300 1 170 21 21 PHE CE1 C 131.695 0.300 1 171 21 21 PHE CE2 C 131.695 0.300 1 172 21 21 PHE CZ C 130.156 0.300 1 173 21 21 PHE N N 121.637 0.300 1 174 22 22 ALA H H 8.239 0.030 1 175 22 22 ALA HA H 4.024 0.030 1 176 22 22 ALA HB H 1.419 0.030 1 177 22 22 ALA C C 178.276 0.300 1 178 22 22 ALA CA C 54.221 0.300 1 179 22 22 ALA CB C 18.677 0.300 1 180 22 22 ALA N N 118.508 0.300 1 181 23 23 GLU H H 7.661 0.030 1 182 23 23 GLU HA H 4.550 0.030 1 183 23 23 GLU HB2 H 2.393 0.030 2 184 23 23 GLU HB3 H 2.263 0.030 2 185 23 23 GLU HG2 H 2.489 0.030 2 186 23 23 GLU HG3 H 2.314 0.030 2 187 23 23 GLU C C 175.245 0.300 1 188 23 23 GLU CA C 55.382 0.300 1 189 23 23 GLU CB C 31.110 0.300 1 190 23 23 GLU CG C 36.598 0.300 1 191 23 23 GLU N N 114.121 0.300 1 192 24 24 LYS H H 7.110 0.030 1 193 24 24 LYS HA H 4.332 0.030 1 194 24 24 LYS HB2 H 1.625 0.030 2 195 24 24 LYS HB3 H 1.505 0.030 2 196 24 24 LYS HD2 H 1.406 0.030 2 197 24 24 LYS HD3 H 1.366 0.030 2 198 24 24 LYS HE2 H 2.673 0.030 1 199 24 24 LYS HE3 H 2.673 0.030 1 200 24 24 LYS HG2 H 1.187 0.030 2 201 24 24 LYS HG3 H 1.020 0.030 2 202 24 24 LYS C C 176.308 0.300 1 203 24 24 LYS CA C 56.895 0.300 1 204 24 24 LYS CB C 34.115 0.300 1 205 24 24 LYS CD C 29.397 0.300 1 206 24 24 LYS CE C 41.874 0.300 1 207 24 24 LYS CG C 24.041 0.300 1 208 24 24 LYS N N 120.500 0.300 1 209 25 25 VAL H H 8.982 0.030 1 210 25 25 VAL HA H 4.388 0.030 1 211 25 25 VAL HB H 1.900 0.030 1 212 25 25 VAL HG1 H 0.851 0.030 1 213 25 25 VAL HG2 H 0.876 0.030 1 214 25 25 VAL C C 173.597 0.300 1 215 25 25 VAL CA C 60.693 0.300 1 216 25 25 VAL CB C 35.123 0.300 1 217 25 25 VAL CG1 C 21.153 0.300 2 218 25 25 VAL CG2 C 20.913 0.300 2 219 25 25 VAL N N 121.644 0.300 1 220 26 26 SER H H 8.552 0.030 1 221 26 26 SER HA H 5.634 0.030 1 222 26 26 SER HB2 H 3.811 0.030 2 223 26 26 SER HB3 H 3.619 0.030 2 224 26 26 SER C C 175.022 0.300 1 225 26 26 SER CA C 57.043 0.300 1 226 26 26 SER CB C 63.803 0.300 1 227 26 26 SER N N 121.014 0.300 1 228 27 27 SER H H 9.438 0.030 1 229 27 27 SER HA H 4.572 0.030 1 230 27 27 SER HB2 H 3.668 0.030 2 231 27 27 SER HB3 H 3.431 0.030 2 232 27 27 SER C C 175.963 0.300 1 233 27 27 SER CA C 58.706 0.300 1 234 27 27 SER CB C 63.579 0.300 1 235 27 27 SER N N 119.183 0.300 1 236 28 28 LEU H H 9.437 0.030 1 237 28 28 LEU HA H 4.046 0.030 1 238 28 28 LEU HB2 H 2.229 0.030 2 239 28 28 LEU HB3 H 1.714 0.030 2 240 28 28 LEU HD1 H 0.683 0.030 1 241 28 28 LEU HD2 H 0.583 0.030 1 242 28 28 LEU HG H 1.423 0.030 1 243 28 28 LEU C C 177.183 0.300 1 244 28 28 LEU CA C 55.788 0.300 1 245 28 28 LEU CB C 38.369 0.300 1 246 28 28 LEU CD1 C 22.038 0.300 2 247 28 28 LEU CD2 C 25.717 0.300 2 248 28 28 LEU CG C 26.569 0.300 1 249 28 28 LEU N N 126.742 0.300 1 250 29 29 GLY H H 8.995 0.030 1 251 29 29 GLY HA2 H 4.102 0.030 2 252 29 29 GLY HA3 H 3.601 0.030 2 253 29 29 GLY C C 173.855 0.300 1 254 29 29 GLY CA C 45.501 0.300 1 255 29 29 GLY N N 105.294 0.300 1 256 30 30 LYS H H 7.698 0.030 1 257 30 30 LYS HA H 4.551 0.030 1 258 30 30 LYS HB2 H 1.426 0.030 2 259 30 30 LYS HB3 H 1.337 0.030 2 260 30 30 LYS HD2 H 1.491 0.030 1 261 30 30 LYS HD3 H 1.491 0.030 1 262 30 30 LYS HE2 H 2.890 0.030 1 263 30 30 LYS HE3 H 2.890 0.030 1 264 30 30 LYS HG2 H 1.293 0.030 2 265 30 30 LYS HG3 H 1.257 0.030 2 266 30 30 LYS C C 173.505 0.300 1 267 30 30 LYS CA C 54.213 0.300 1 268 30 30 LYS CB C 35.234 0.300 1 269 30 30 LYS CD C 29.222 0.300 1 270 30 30 LYS CE C 42.105 0.300 1 271 30 30 LYS CG C 24.702 0.300 1 272 30 30 LYS N N 119.578 0.300 1 273 31 31 ASP H H 7.993 0.030 1 274 31 31 ASP HA H 5.289 0.030 1 275 31 31 ASP HB2 H 2.347 0.030 2 276 31 31 ASP HB3 H 1.994 0.030 2 277 31 31 ASP C C 174.105 0.300 1 278 31 31 ASP CA C 53.560 0.300 1 279 31 31 ASP CB C 42.514 0.300 1 280 31 31 ASP N N 120.207 0.300 1 281 32 32 TRP H H 9.001 0.030 1 282 32 32 TRP HA H 5.023 0.030 1 283 32 32 TRP HB2 H 3.250 0.030 2 284 32 32 TRP HB3 H 2.598 0.030 2 285 32 32 TRP HD1 H 7.465 0.030 1 286 32 32 TRP HE1 H 10.416 0.030 1 287 32 32 TRP HE3 H 7.358 0.030 1 288 32 32 TRP HH2 H 6.796 0.030 1 289 32 32 TRP HZ2 H 7.178 0.030 1 290 32 32 TRP HZ3 H 7.078 0.030 1 291 32 32 TRP C C 177.791 0.300 1 292 32 32 TRP CA C 54.267 0.300 1 293 32 32 TRP CB C 31.259 0.300 1 294 32 32 TRP CD1 C 128.665 0.300 1 295 32 32 TRP CE3 C 119.888 0.300 1 296 32 32 TRP CH2 C 123.214 0.300 1 297 32 32 TRP CZ2 C 112.955 0.300 1 298 32 32 TRP CZ3 C 122.202 0.300 1 299 32 32 TRP N N 118.858 0.300 1 300 32 32 TRP NE1 N 131.599 0.300 1 301 33 33 HIS H H 7.908 0.030 1 302 33 33 HIS HA H 4.572 0.030 1 303 33 33 HIS HB2 H 3.489 0.030 2 304 33 33 HIS HB3 H 2.561 0.030 2 305 33 33 HIS HD2 H 7.355 0.030 1 306 33 33 HIS HE1 H 7.351 0.030 1 307 33 33 HIS C C 178.981 0.300 1 308 33 33 HIS CA C 59.237 0.300 1 309 33 33 HIS CB C 30.096 0.300 1 310 33 33 HIS CD2 C 118.320 0.300 1 311 33 33 HIS CE1 C 138.993 0.300 1 312 33 33 HIS N N 117.757 0.300 1 313 34 34 LYS H H 9.278 0.030 1 314 34 34 LYS HA H 3.787 0.030 1 315 34 34 LYS HB2 H 1.740 0.030 1 316 34 34 LYS HB3 H 1.740 0.030 1 317 34 34 LYS HD2 H 1.615 0.030 1 318 34 34 LYS HD3 H 1.615 0.030 1 319 34 34 LYS HE2 H 2.879 0.030 1 320 34 34 LYS HE3 H 2.879 0.030 1 321 34 34 LYS HG2 H 1.196 0.030 2 322 34 34 LYS HG3 H 1.275 0.030 2 323 34 34 LYS C C 178.823 0.300 1 324 34 34 LYS CA C 60.460 0.300 1 325 34 34 LYS CB C 32.386 0.300 1 326 34 34 LYS CD C 29.570 0.300 1 327 34 34 LYS CE C 42.045 0.300 1 328 34 34 LYS CG C 25.216 0.300 1 329 34 34 LYS N N 125.031 0.300 1 330 35 35 PHE H H 7.630 0.030 1 331 35 35 PHE HA H 4.497 0.030 1 332 35 35 PHE HB2 H 3.310 0.030 2 333 35 35 PHE HB3 H 3.090 0.030 2 334 35 35 PHE HD1 H 7.303 0.030 1 335 35 35 PHE HD2 H 7.303 0.030 1 336 35 35 PHE HE1 H 7.082 0.030 1 337 35 35 PHE HE2 H 7.082 0.030 1 338 35 35 PHE C C 176.281 0.300 1 339 35 35 PHE CA C 57.337 0.300 1 340 35 35 PHE CB C 37.832 0.300 1 341 35 35 PHE CD1 C 132.158 0.300 1 342 35 35 PHE CD2 C 132.158 0.300 1 343 35 35 PHE CE1 C 130.393 0.300 1 344 35 35 PHE CE2 C 130.393 0.300 1 345 35 35 PHE N N 112.045 0.300 1 346 36 36 CYS H H 7.510 0.030 1 347 36 36 CYS HA H 4.357 0.030 1 348 36 36 CYS HB2 H 3.235 0.030 1 349 36 36 CYS HB3 H 3.235 0.030 1 350 36 36 CYS C C 175.338 0.300 1 351 36 36 CYS CA C 61.890 0.300 1 352 36 36 CYS CB C 31.438 0.300 1 353 36 36 CYS N N 117.855 0.300 1 354 37 37 LEU H H 6.856 0.030 1 355 37 37 LEU HA H 3.745 0.030 1 356 37 37 LEU HB2 H 1.694 0.030 2 357 37 37 LEU HB3 H 0.674 0.030 2 358 37 37 LEU HD1 H -0.576 0.030 1 359 37 37 LEU HD2 H 0.059 0.030 1 360 37 37 LEU HG H 0.707 0.030 1 361 37 37 LEU C C 173.899 0.300 1 362 37 37 LEU CA C 53.730 0.300 1 363 37 37 LEU CB C 38.588 0.300 1 364 37 37 LEU CD1 C 21.607 0.300 2 365 37 37 LEU CD2 C 24.056 0.300 2 366 37 37 LEU CG C 27.188 0.300 1 367 37 37 LEU N N 122.753 0.300 1 368 38 38 LYS H H 7.611 0.030 1 369 38 38 LYS HA H 4.697 0.030 1 370 38 38 LYS HB2 H 1.206 0.030 1 371 38 38 LYS HB3 H 1.206 0.030 1 372 38 38 LYS HD2 H 1.507 0.030 1 373 38 38 LYS HD3 H 1.507 0.030 1 374 38 38 LYS HE2 H 2.897 0.030 1 375 38 38 LYS HE3 H 2.897 0.030 1 376 38 38 LYS HG2 H 1.008 0.030 1 377 38 38 LYS HG3 H 1.008 0.030 1 378 38 38 LYS C C 174.559 0.300 1 379 38 38 LYS CA C 53.524 0.300 1 380 38 38 LYS CB C 36.240 0.300 1 381 38 38 LYS CD C 29.362 0.300 1 382 38 38 LYS CE C 42.136 0.300 1 383 38 38 LYS CG C 24.465 0.300 1 384 38 38 LYS N N 124.210 0.300 1 385 39 39 CYS H H 8.643 0.030 1 386 39 39 CYS HA H 3.765 0.030 1 387 39 39 CYS HB2 H 3.134 0.030 1 388 39 39 CYS HB3 H 3.134 0.030 1 389 39 39 CYS C C 177.987 0.300 1 390 39 39 CYS CA C 59.802 0.300 1 391 39 39 CYS CB C 31.413 0.300 1 392 39 39 CYS N N 123.524 0.300 1 393 40 40 GLU H H 8.717 0.030 1 394 40 40 GLU HA H 3.946 0.030 1 395 40 40 GLU HB2 H 1.550 0.030 2 396 40 40 GLU HB3 H 1.093 0.030 2 397 40 40 GLU HG2 H 2.217 0.030 2 398 40 40 GLU HG3 H 2.163 0.030 2 399 40 40 GLU C C 175.979 0.300 1 400 40 40 GLU CA C 57.799 0.300 1 401 40 40 GLU CB C 29.845 0.300 1 402 40 40 GLU CG C 34.520 0.300 1 403 40 40 GLU N N 131.948 0.300 1 404 41 41 ARG H H 9.084 0.030 1 405 41 41 ARG HA H 4.560 0.030 1 406 41 41 ARG HB2 H 2.391 0.030 2 407 41 41 ARG HB3 H 1.956 0.030 2 408 41 41 ARG HD2 H 3.254 0.030 2 409 41 41 ARG HD3 H 3.198 0.030 2 410 41 41 ARG HG2 H 1.735 0.030 2 411 41 41 ARG HG3 H 1.592 0.030 2 412 41 41 ARG C C 177.301 0.300 1 413 41 41 ARG CA C 58.087 0.300 1 414 41 41 ARG CB C 30.981 0.300 1 415 41 41 ARG CD C 43.134 0.300 1 416 41 41 ARG CG C 28.046 0.300 1 417 41 41 ARG N N 120.276 0.300 1 418 42 42 CYS H H 8.664 0.030 1 419 42 42 CYS HA H 4.998 0.030 1 420 42 42 CYS HB2 H 3.291 0.030 2 421 42 42 CYS HB3 H 2.647 0.030 2 422 42 42 CYS C C 176.577 0.300 1 423 42 42 CYS CA C 59.484 0.300 1 424 42 42 CYS CB C 32.696 0.300 1 425 42 42 CYS N N 118.993 0.300 1 426 43 43 SER H H 8.007 0.030 1 427 43 43 SER HA H 4.069 0.030 1 428 43 43 SER HB2 H 4.178 0.030 2 429 43 43 SER HB3 H 4.000 0.030 2 430 43 43 SER C C 172.208 0.300 1 431 43 43 SER CA C 61.359 0.300 1 432 43 43 SER CB C 62.207 0.300 1 433 43 43 SER N N 115.633 0.300 1 434 44 44 LYS H H 8.360 0.030 1 435 44 44 LYS HA H 4.078 0.030 1 436 44 44 LYS HB2 H 1.792 0.030 2 437 44 44 LYS HB3 H 1.502 0.030 2 438 44 44 LYS HD2 H 1.708 0.030 1 439 44 44 LYS HD3 H 1.708 0.030 1 440 44 44 LYS HE2 H 3.039 0.030 1 441 44 44 LYS HE3 H 3.039 0.030 1 442 44 44 LYS HG2 H 1.564 0.030 2 443 44 44 LYS HG3 H 1.470 0.030 2 444 44 44 LYS C C 176.819 0.300 1 445 44 44 LYS CA C 58.017 0.300 1 446 44 44 LYS CB C 33.951 0.300 1 447 44 44 LYS CD C 29.612 0.300 1 448 44 44 LYS CE C 42.312 0.300 1 449 44 44 LYS CG C 25.389 0.300 1 450 44 44 LYS N N 123.797 0.300 1 451 45 45 THR H H 8.554 0.030 1 452 45 45 THR HA H 3.922 0.030 1 453 45 45 THR HB H 4.012 0.030 1 454 45 45 THR HG2 H 1.221 0.030 1 455 45 45 THR C C 173.932 0.300 1 456 45 45 THR CA C 64.904 0.300 1 457 45 45 THR CB C 69.040 0.300 1 458 45 45 THR CG2 C 22.277 0.300 1 459 45 45 THR N N 120.210 0.300 1 460 46 46 LEU H H 7.733 0.030 1 461 46 46 LEU HA H 4.497 0.030 1 462 46 46 LEU HB2 H 0.820 0.030 1 463 46 46 LEU HB3 H 0.820 0.030 1 464 46 46 LEU HD1 H -0.156 0.030 1 465 46 46 LEU HD2 H 0.809 0.030 1 466 46 46 LEU HG H 1.471 0.030 1 467 46 46 LEU C C 175.096 0.300 1 468 46 46 LEU CA C 52.958 0.300 1 469 46 46 LEU CB C 43.260 0.300 1 470 46 46 LEU CD1 C 26.073 0.300 2 471 46 46 LEU CD2 C 23.721 0.300 2 472 46 46 LEU CG C 26.019 0.300 1 473 46 46 LEU N N 127.473 0.300 1 474 47 47 THR H H 8.569 0.030 1 475 47 47 THR HA H 4.522 0.030 1 476 47 47 THR HB H 4.018 0.030 1 477 47 47 THR HG2 H 1.258 0.030 1 478 47 47 THR C C 172.806 0.300 1 479 47 47 THR CA C 59.538 0.300 1 480 47 47 THR CB C 70.360 0.300 1 481 47 47 THR CG2 C 21.149 0.300 1 482 47 47 THR N N 117.464 0.300 1 483 48 48 PRO HA H 4.251 0.030 1 484 48 48 PRO HB2 H 2.537 0.030 2 485 48 48 PRO HB3 H 2.014 0.030 2 486 48 48 PRO HD2 H 3.936 0.030 2 487 48 48 PRO HD3 H 3.711 0.030 2 488 48 48 PRO HG2 H 2.196 0.030 2 489 48 48 PRO HG3 H 1.688 0.030 2 490 48 48 PRO C C 178.088 0.300 1 491 48 48 PRO CA C 64.030 0.300 1 492 48 48 PRO CB C 31.532 0.300 1 493 48 48 PRO CD C 51.292 0.300 1 494 48 48 PRO CG C 28.365 0.300 1 495 49 49 GLY H H 9.737 0.030 1 496 49 49 GLY HA2 H 4.242 0.030 2 497 49 49 GLY HA3 H 3.690 0.030 2 498 49 49 GLY C C 174.940 0.300 1 499 49 49 GLY CA C 45.954 0.300 1 500 49 49 GLY N N 113.707 0.300 1 501 50 50 GLY H H 8.593 0.030 1 502 50 50 GLY HA2 H 4.785 0.030 2 503 50 50 GLY HA3 H 3.463 0.030 2 504 50 50 GLY C C 173.831 0.300 1 505 50 50 GLY CA C 46.096 0.300 1 506 50 50 GLY N N 109.702 0.300 1 507 51 51 HIS H H 6.830 0.030 1 508 51 51 HIS HA H 4.222 0.030 1 509 51 51 HIS HB2 H 3.226 0.030 2 510 51 51 HIS HB3 H 2.830 0.030 2 511 51 51 HIS HD2 H 6.812 0.030 1 512 51 51 HIS HE1 H 6.834 0.030 1 513 51 51 HIS C C 170.286 0.300 1 514 51 51 HIS CA C 53.392 0.300 1 515 51 51 HIS CB C 31.736 0.300 1 516 51 51 HIS CD2 C 129.182 0.300 1 517 51 51 HIS CE1 C 137.425 0.300 1 518 51 51 HIS N N 115.590 0.300 1 519 52 52 ALA H H 8.166 0.030 1 520 52 52 ALA HA H 4.456 0.030 1 521 52 52 ALA HB H 0.831 0.030 1 522 52 52 ALA C C 178.373 0.300 1 523 52 52 ALA CA C 50.129 0.300 1 524 52 52 ALA CB C 22.293 0.300 1 525 52 52 ALA N N 120.700 0.300 1 526 53 53 GLU H H 8.728 0.030 1 527 53 53 GLU HA H 5.663 0.030 1 528 53 53 GLU HB2 H 1.961 0.030 1 529 53 53 GLU HB3 H 1.961 0.030 1 530 53 53 GLU HG2 H 2.189 0.030 2 531 53 53 GLU HG3 H 2.071 0.030 2 532 53 53 GLU C C 174.054 0.300 1 533 53 53 GLU CA C 55.859 0.300 1 534 53 53 GLU CB C 32.768 0.300 1 535 53 53 GLU CG C 35.333 0.300 1 536 53 53 GLU N N 122.019 0.300 1 537 54 54 HIS H H 9.367 0.030 1 538 54 54 HIS HA H 4.643 0.030 1 539 54 54 HIS HB2 H 2.908 0.030 2 540 54 54 HIS HB3 H 2.526 0.030 2 541 54 54 HIS HD2 H 6.815 0.030 1 542 54 54 HIS C C 175.114 0.300 1 543 54 54 HIS CA C 57.557 0.300 1 544 54 54 HIS CB C 33.543 0.300 1 545 54 54 HIS CD2 C 119.788 0.300 1 546 54 54 HIS N N 121.668 0.300 1 547 55 55 ASP HA H 4.146 0.030 1 548 55 55 ASP HB2 H 2.983 0.030 2 549 55 55 ASP HB3 H 2.300 0.030 2 550 55 55 ASP C C 175.513 0.300 1 551 55 55 ASP CA C 55.187 0.300 1 552 55 55 ASP CB C 39.572 0.300 1 553 56 56 GLY H H 8.927 0.030 1 554 56 56 GLY HA2 H 4.062 0.030 2 555 56 56 GLY HA3 H 3.532 0.030 2 556 56 56 GLY C C 172.233 0.300 1 557 56 56 GLY CA C 45.600 0.300 1 558 56 56 GLY N N 104.973 0.300 1 559 57 57 LYS H H 7.903 0.030 1 560 57 57 LYS HA H 4.982 0.030 1 561 57 57 LYS HB2 H 2.300 0.030 2 562 57 57 LYS HB3 H 1.433 0.030 2 563 57 57 LYS HD2 H 1.769 0.030 2 564 57 57 LYS HD3 H 1.708 0.030 2 565 57 57 LYS HE2 H 3.164 0.030 1 566 57 57 LYS HE3 H 3.164 0.030 1 567 57 57 LYS HG2 H 1.597 0.030 1 568 57 57 LYS HG3 H 1.597 0.030 1 569 57 57 LYS C C 173.875 0.300 1 570 57 57 LYS CA C 51.119 0.300 1 571 57 57 LYS CB C 32.594 0.300 1 572 57 57 LYS CD C 29.014 0.300 1 573 57 57 LYS CE C 42.793 0.300 1 574 57 57 LYS CG C 25.150 0.300 1 575 57 57 LYS N N 117.160 0.300 1 576 58 58 PRO HA H 5.175 0.030 1 577 58 58 PRO HB2 H 1.050 0.030 2 578 58 58 PRO HB3 H 0.982 0.030 2 579 58 58 PRO HD2 H 4.057 0.030 2 580 58 58 PRO HD3 H 3.736 0.030 2 581 58 58 PRO HG2 H 2.230 0.030 2 582 58 58 PRO HG3 H 1.569 0.030 2 583 58 58 PRO C C 174.486 0.300 1 584 58 58 PRO CA C 61.236 0.300 1 585 58 58 PRO CB C 31.661 0.300 1 586 58 58 PRO CD C 49.990 0.300 1 587 58 58 PRO CG C 25.820 0.300 1 588 59 59 PHE H H 7.869 0.030 1 589 59 59 PHE HA H 5.963 0.030 1 590 59 59 PHE HB2 H 3.213 0.030 2 591 59 59 PHE HB3 H 2.429 0.030 2 592 59 59 PHE HD1 H 7.164 0.030 1 593 59 59 PHE HD2 H 7.164 0.030 1 594 59 59 PHE HE1 H 7.464 0.030 1 595 59 59 PHE HE2 H 7.464 0.030 1 596 59 59 PHE HZ H 7.560 0.030 1 597 59 59 PHE C C 175.697 0.300 1 598 59 59 PHE CA C 56.319 0.300 1 599 59 59 PHE CB C 46.827 0.300 1 600 59 59 PHE CD1 C 131.579 0.300 1 601 59 59 PHE CD2 C 131.579 0.300 1 602 59 59 PHE CE1 C 132.868 0.300 1 603 59 59 PHE CE2 C 132.868 0.300 1 604 59 59 PHE CZ C 129.722 0.300 1 605 59 59 PHE N N 115.387 0.300 1 606 60 60 CYS H H 9.192 0.030 1 607 60 60 CYS HA H 4.321 0.030 1 608 60 60 CYS HB2 H 3.064 0.030 2 609 60 60 CYS HB3 H 2.875 0.030 2 610 60 60 CYS CA C 59.998 0.300 1 611 60 60 CYS CB C 31.512 0.300 1 612 60 60 CYS N N 124.256 0.300 1 613 61 61 HIS H H 9.094 0.030 1 614 61 61 HIS HA H 4.228 0.030 1 615 61 61 HIS HB2 H 3.143 0.030 2 616 61 61 HIS HB3 H 2.993 0.030 2 617 61 61 HIS HD2 H 6.929 0.030 1 618 61 61 HIS HE1 H 7.377 0.030 1 619 61 61 HIS CA C 61.487 0.300 1 620 61 61 HIS CB C 31.294 0.300 1 621 61 61 HIS CD2 C 118.236 0.300 1 622 61 61 HIS CE1 C 139.188 0.300 1 623 61 61 HIS N N 122.372 0.300 1 624 62 62 LYS H H 8.164 0.030 1 625 62 62 LYS HA H 4.741 0.030 1 626 62 62 LYS HB2 H 1.844 0.030 2 627 62 62 LYS HB3 H 1.730 0.030 2 628 62 62 LYS HD2 H 1.666 0.030 1 629 62 62 LYS HD3 H 1.666 0.030 1 630 62 62 LYS HE2 H 2.951 0.030 1 631 62 62 LYS HE3 H 2.951 0.030 1 632 62 62 LYS HG2 H 1.393 0.030 1 633 62 62 LYS HG3 H 1.393 0.030 1 634 62 62 LYS CA C 53.366 0.300 1 635 62 62 LYS CB C 35.483 0.300 1 636 62 62 LYS CD C 29.451 0.300 1 637 62 62 LYS CE C 42.078 0.300 1 638 62 62 LYS CG C 25.080 0.300 1 639 62 62 LYS N N 114.389 0.300 1 640 63 63 PRO HA H 4.860 0.030 1 641 63 63 PRO HB2 H 2.429 0.030 2 642 63 63 PRO HB3 H 2.085 0.030 2 643 63 63 PRO HD2 H 4.079 0.030 2 644 63 63 PRO HD3 H 3.613 0.030 2 645 63 63 PRO HG2 H 2.097 0.030 2 646 63 63 PRO HG3 H 2.023 0.030 2 647 63 63 PRO C C 180.026 0.300 1 648 63 63 PRO CA C 64.525 0.300 1 649 63 63 PRO CB C 34.520 0.300 1 650 63 63 PRO CD C 49.908 0.300 1 651 63 63 PRO CG C 24.794 0.300 1 652 64 64 CYS H H 7.767 0.030 1 653 64 64 CYS HA H 3.606 0.030 1 654 64 64 CYS HB2 H 3.387 0.030 2 655 64 64 CYS HB3 H 2.907 0.030 2 656 64 64 CYS C C 175.614 0.300 1 657 64 64 CYS CA C 64.685 0.300 1 658 64 64 CYS CB C 31.004 0.300 1 659 64 64 CYS N N 123.698 0.300 1 660 65 65 TYR H H 8.895 0.030 1 661 65 65 TYR HA H 3.670 0.030 1 662 65 65 TYR HB2 H 3.344 0.030 2 663 65 65 TYR HB3 H 2.886 0.030 2 664 65 65 TYR HD1 H 6.781 0.030 1 665 65 65 TYR HD2 H 6.781 0.030 1 666 65 65 TYR HE1 H 6.702 0.030 1 667 65 65 TYR HE2 H 6.702 0.030 1 668 65 65 TYR C C 177.049 0.300 1 669 65 65 TYR CA C 62.032 0.300 1 670 65 65 TYR CB C 39.019 0.300 1 671 65 65 TYR CD1 C 133.436 0.300 1 672 65 65 TYR CD2 C 133.436 0.300 1 673 65 65 TYR CE1 C 118.210 0.300 1 674 65 65 TYR CE2 C 118.210 0.300 1 675 65 65 TYR N N 118.992 0.300 1 676 66 66 ALA H H 7.190 0.030 1 677 66 66 ALA HA H 4.100 0.030 1 678 66 66 ALA HB H 1.529 0.030 1 679 66 66 ALA C C 179.813 0.300 1 680 66 66 ALA CA C 54.904 0.300 1 681 66 66 ALA CB C 18.462 0.300 1 682 66 66 ALA N N 118.170 0.300 1 683 67 67 THR H H 8.037 0.030 1 684 67 67 THR HA H 3.948 0.030 1 685 67 67 THR HB H 4.081 0.030 1 686 67 67 THR HG2 H 1.123 0.030 1 687 67 67 THR C C 175.418 0.300 1 688 67 67 THR CA C 65.039 0.300 1 689 67 67 THR CB C 69.390 0.300 1 690 67 67 THR CG2 C 20.917 0.300 1 691 67 67 THR N N 110.865 0.300 1 692 68 68 LEU H H 7.188 0.030 1 693 68 68 LEU HA H 3.654 0.030 1 694 68 68 LEU HB2 H 0.599 0.030 2 695 68 68 LEU HB3 H -0.188 0.030 2 696 68 68 LEU HD1 H 0.332 0.030 1 697 68 68 LEU HD2 H 0.400 0.030 1 698 68 68 LEU HG H 1.091 0.030 1 699 68 68 LEU C C 178.002 0.300 1 700 68 68 LEU CA C 56.849 0.300 1 701 68 68 LEU CB C 42.107 0.300 1 702 68 68 LEU CD1 C 25.612 0.300 2 703 68 68 LEU CD2 C 22.488 0.300 2 704 68 68 LEU CG C 26.471 0.300 1 705 68 68 LEU N N 120.987 0.300 1 706 69 69 PHE H H 7.757 0.030 1 707 69 69 PHE HA H 4.535 0.030 1 708 69 69 PHE HB2 H 2.863 0.030 2 709 69 69 PHE HB3 H 1.624 0.030 2 710 69 69 PHE HD1 H 6.377 0.030 1 711 69 69 PHE HD2 H 6.377 0.030 1 712 69 69 PHE HE1 H 6.158 0.030 1 713 69 69 PHE HE2 H 6.158 0.030 1 714 69 69 PHE HZ H 6.652 0.030 1 715 69 69 PHE C C 176.453 0.300 1 716 69 69 PHE CA C 56.831 0.300 1 717 69 69 PHE CB C 39.512 0.300 1 718 69 69 PHE CD1 C 131.718 0.300 1 719 69 69 PHE CD2 C 131.718 0.300 1 720 69 69 PHE CE1 C 130.229 0.300 1 721 69 69 PHE CE2 C 130.229 0.300 1 722 69 69 PHE CZ C 129.155 0.300 1 723 69 69 PHE N N 114.683 0.300 1 724 70 70 GLY H H 7.514 0.030 1 725 70 70 GLY HA2 H 4.077 0.030 2 726 70 70 GLY HA3 H 4.041 0.030 2 727 70 70 GLY C C 174.130 0.300 1 728 70 70 GLY CA C 45.596 0.300 1 729 70 70 GLY N N 108.911 0.300 1 730 71 71 SER H H 8.332 0.030 1 731 71 71 SER HA H 4.535 0.030 1 732 71 71 SER HB2 H 3.883 0.030 1 733 71 71 SER HB3 H 3.883 0.030 1 734 71 71 SER C C 174.737 0.300 1 735 71 71 SER CA C 58.282 0.300 1 736 71 71 SER CB C 63.980 0.300 1 737 71 71 SER N N 115.436 0.300 1 738 72 72 GLY H H 8.263 0.030 1 739 72 72 GLY HA2 H 4.125 0.030 1 740 72 72 GLY HA3 H 4.125 0.030 1 741 72 72 GLY C C 171.932 0.300 1 742 72 72 GLY CA C 44.681 0.300 1 743 72 72 GLY N N 110.663 0.300 1 744 73 73 PRO HA H 4.459 0.030 1 745 73 73 PRO HB2 H 2.270 0.030 2 746 73 73 PRO HB3 H 1.966 0.030 2 747 73 73 PRO HD2 H 3.618 0.030 1 748 73 73 PRO HD3 H 3.618 0.030 1 749 73 73 PRO HG2 H 2.000 0.030 1 750 73 73 PRO HG3 H 2.000 0.030 1 751 73 73 PRO C C 177.392 0.300 1 752 73 73 PRO CA C 63.323 0.300 1 753 73 73 PRO CB C 32.154 0.300 1 754 73 73 PRO CD C 49.825 0.300 1 755 73 73 PRO CG C 27.163 0.300 1 756 74 74 SER H H 8.505 0.030 1 757 74 74 SER HA H 4.477 0.030 1 758 74 74 SER HB2 H 3.863 0.030 1 759 74 74 SER HB3 H 3.863 0.030 1 760 74 74 SER C C 174.677 0.300 1 761 74 74 SER CA C 58.335 0.300 1 762 74 74 SER CB C 63.906 0.300 1 763 74 74 SER N N 116.381 0.300 1 stop_ save_