data_10301 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the SH3 domain of human Crk-like protein ; _BMRB_accession_number 10301 _BMRB_flat_file_name bmr10301.str _Entry_type new _Submission_date 2008-12-24 _Accession_date 2008-12-24 _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 Sato M. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 440 "13C chemical shifts" 327 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-01-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of the SH3 domain of human Crk-like 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 Sato M. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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 'Crk-like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 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 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; GSSGSSGPLPSTQNGPVFAK AIQKRVPCAYDKTALALEVG DIVKVTRMNINGQWEGEVNG RKGLFPFTHVKIFDPQNPDE NESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 LEU 10 PRO 11 SER 12 THR 13 GLN 14 ASN 15 GLY 16 PRO 17 VAL 18 PHE 19 ALA 20 LYS 21 ALA 22 ILE 23 GLN 24 LYS 25 ARG 26 VAL 27 PRO 28 CYS 29 ALA 30 TYR 31 ASP 32 LYS 33 THR 34 ALA 35 LEU 36 ALA 37 LEU 38 GLU 39 VAL 40 GLY 41 ASP 42 ILE 43 VAL 44 LYS 45 VAL 46 THR 47 ARG 48 MET 49 ASN 50 ILE 51 ASN 52 GLY 53 GLN 54 TRP 55 GLU 56 GLY 57 GLU 58 VAL 59 ASN 60 GLY 61 ARG 62 LYS 63 GLY 64 LEU 65 PHE 66 PRO 67 PHE 68 THR 69 HIS 70 VAL 71 LYS 72 ILE 73 PHE 74 ASP 75 PRO 76 GLN 77 ASN 78 PRO 79 ASP 80 GLU 81 ASN 82 GLU 83 SER 84 GLY 85 PRO 86 SER 87 SER 88 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 2BZX "Atomic Model Of Crkl-Sh3c Monomer" 76.14 67 100.00 100.00 9.13e-42 PDB 2BZY "Dimeric Of Crkl-Sh3c Domain" 76.14 67 100.00 100.00 9.13e-42 PDB 2DBK "Solution Structures Of The Sh3 Domain Of Human Crk-Like Protein" 100.00 88 100.00 100.00 8.53e-57 DBJ BAC33406 "unnamed protein product [Mus musculus]" 85.23 303 98.67 100.00 1.72e-45 DBJ BAC34933 "unnamed protein product [Mus musculus]" 85.23 303 98.67 100.00 1.72e-45 DBJ BAE37567 "unnamed protein product [Mus musculus]" 85.23 303 98.67 100.00 1.72e-45 EMBL CAA62220 "SH2/SH3 adaptor protein [Mus musculus]" 85.23 303 98.67 100.00 1.51e-45 GB AAH85865 "V-crk sarcoma virus CT10 oncogene homolog (avian)-like [Rattus norvegicus]" 85.23 303 98.67 100.00 1.61e-45 GB AAI31985 "V-crk sarcoma virus CT10 oncogene homolog (avian)-like [Mus musculus]" 85.23 303 98.67 100.00 1.72e-45 GB AAI31987 "V-crk sarcoma virus CT10 oncogene homolog (avian)-like [Mus musculus]" 85.23 303 98.67 100.00 1.72e-45 GB EDK97459 "v-crk sarcoma virus CT10 oncogene homolog (avian)-like [Mus musculus]" 85.23 303 98.67 100.00 1.72e-45 GB EDL77890 "v-crk sarcoma virus CT10 oncogene homolog (avian)-like [Rattus norvegicus]" 85.23 303 98.67 100.00 1.61e-45 REF NP_001008285 "crk-like protein [Rattus norvegicus]" 85.23 303 98.67 100.00 1.61e-45 REF NP_031790 "crk-like protein isoform 1 [Mus musculus]" 85.23 303 98.67 100.00 1.72e-45 REF XP_002719763 "PREDICTED: crk-like protein [Oryctolagus cuniculus]" 85.23 303 98.67 98.67 3.95e-45 REF XP_002926331 "PREDICTED: crk-like protein [Ailuropoda melanoleuca]" 85.23 303 98.67 98.67 4.12e-45 REF XP_003133042 "PREDICTED: crk-like protein [Sus scrofa]" 85.23 303 98.67 98.67 5.10e-45 SP P47941 "RecName: Full=Crk-like protein" 85.23 303 98.67 100.00 1.72e-45 SP Q5U2U2 "RecName: Full=Crk-like protein" 85.23 303 98.67 100.00 1.61e-45 TPG DAA20421 "TPA: v-crk sarcoma virus CT10 oncogene homolog-like [Bos taurus]" 85.23 335 97.33 98.67 2.23e-44 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' . . . . plasmid P050207-02 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement 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_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 296 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _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 'SH3 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 8 8 PRO HA H 4.418 0.030 1 2 8 8 PRO HB2 H 2.238 0.030 2 3 8 8 PRO HD2 H 3.602 0.030 2 4 8 8 PRO HG2 H 1.906 0.030 2 5 8 8 PRO CA C 62.900 0.300 1 6 8 8 PRO CB C 32.314 0.300 1 7 8 8 PRO CD C 49.713 0.300 1 8 8 8 PRO CG C 27.295 0.300 1 9 9 9 LEU H H 8.348 0.030 1 10 9 9 LEU HA H 4.600 0.030 1 11 9 9 LEU HB2 H 1.595 0.030 2 12 9 9 LEU HB3 H 1.543 0.030 2 13 9 9 LEU HD1 H 0.940 0.030 1 14 9 9 LEU HD2 H 0.925 0.030 1 15 9 9 LEU HG H 1.716 0.030 1 16 9 9 LEU CA C 53.005 0.300 1 17 9 9 LEU CB C 41.779 0.300 1 18 9 9 LEU CD1 C 25.270 0.300 2 19 9 9 LEU CD2 C 23.464 0.300 2 20 9 9 LEU CG C 27.112 0.300 1 21 9 9 LEU N N 123.610 0.300 1 22 10 10 PRO HA H 4.438 0.030 1 23 10 10 PRO HB2 H 2.300 0.030 2 24 10 10 PRO HB3 H 1.899 0.030 2 25 10 10 PRO HD2 H 3.855 0.030 2 26 10 10 PRO HD3 H 3.628 0.030 2 27 10 10 PRO HG2 H 2.020 0.030 1 28 10 10 PRO HG3 H 2.020 0.030 1 29 10 10 PRO C C 176.598 0.300 1 30 10 10 PRO CA C 63.128 0.300 1 31 10 10 PRO CB C 32.153 0.300 1 32 10 10 PRO CD C 50.531 0.300 1 33 10 10 PRO CG C 27.542 0.300 1 34 11 11 SER H H 8.365 0.030 1 35 11 11 SER HA H 4.481 0.030 1 36 11 11 SER HB2 H 3.932 0.030 2 37 11 11 SER HB3 H 3.816 0.030 2 38 11 11 SER C C 175.136 0.300 1 39 11 11 SER CA C 58.138 0.300 1 40 11 11 SER CB C 63.971 0.300 1 41 11 11 SER N N 115.315 0.300 1 42 12 12 THR H H 8.153 0.030 1 43 12 12 THR HA H 4.426 0.030 1 44 12 12 THR HB H 4.276 0.030 1 45 12 12 THR HG2 H 1.123 0.030 1 46 12 12 THR C C 174.871 0.300 1 47 12 12 THR CA C 61.894 0.300 1 48 12 12 THR CB C 69.445 0.300 1 49 12 12 THR CG2 C 21.773 0.300 1 50 12 12 THR N N 115.192 0.300 1 51 13 13 GLN H H 8.301 0.030 1 52 13 13 GLN HA H 4.284 0.030 1 53 13 13 GLN HB2 H 2.056 0.030 2 54 13 13 GLN HB3 H 1.957 0.030 2 55 13 13 GLN HG2 H 2.319 0.030 1 56 13 13 GLN HG3 H 2.319 0.030 1 57 13 13 GLN C C 175.796 0.300 1 58 13 13 GLN CA C 56.392 0.300 1 59 13 13 GLN CB C 29.438 0.300 1 60 13 13 GLN CG C 33.766 0.300 1 61 13 13 GLN N N 122.150 0.300 1 62 15 15 GLY HA2 H 4.144 0.030 2 63 15 15 GLY HA3 H 4.076 0.030 2 64 15 15 GLY CA C 44.653 0.300 1 65 16 16 PRO HA H 4.412 0.030 1 66 16 16 PRO HB2 H 1.961 0.030 2 67 16 16 PRO HB3 H 1.470 0.030 2 68 16 16 PRO HD2 H 3.607 0.030 1 69 16 16 PRO HD3 H 3.607 0.030 1 70 16 16 PRO HG2 H 1.977 0.030 1 71 16 16 PRO HG3 H 1.977 0.030 1 72 16 16 PRO C C 175.930 0.300 1 73 16 16 PRO CA C 62.775 0.300 1 74 16 16 PRO CB C 32.487 0.300 1 75 16 16 PRO CD C 49.733 0.300 1 76 16 16 PRO CG C 27.213 0.300 1 77 17 17 VAL H H 8.054 0.030 1 78 17 17 VAL HA H 4.196 0.030 1 79 17 17 VAL HB H 1.924 0.030 1 80 17 17 VAL HG1 H 0.880 0.030 1 81 17 17 VAL HG2 H 0.822 0.030 1 82 17 17 VAL C C 173.672 0.300 1 83 17 17 VAL CA C 61.159 0.300 1 84 17 17 VAL CB C 34.310 0.300 1 85 17 17 VAL CG1 C 21.526 0.300 2 86 17 17 VAL CG2 C 21.251 0.300 2 87 17 17 VAL N N 120.517 0.300 1 88 18 18 PHE H H 8.993 0.030 1 89 18 18 PHE HA H 5.521 0.030 1 90 18 18 PHE HB2 H 2.807 0.030 2 91 18 18 PHE HB3 H 2.622 0.030 2 92 18 18 PHE HD1 H 7.158 0.030 1 93 18 18 PHE HD2 H 7.158 0.030 1 94 18 18 PHE HE1 H 7.287 0.030 1 95 18 18 PHE HE2 H 7.287 0.030 1 96 18 18 PHE HZ H 7.320 0.030 1 97 18 18 PHE C C 174.184 0.300 1 98 18 18 PHE CA C 56.922 0.300 1 99 18 18 PHE CB C 42.790 0.300 1 100 18 18 PHE CD1 C 131.812 0.300 1 101 18 18 PHE CD2 C 131.812 0.300 1 102 18 18 PHE CE1 C 129.432 0.300 1 103 18 18 PHE CE2 C 129.432 0.300 1 104 18 18 PHE CZ C 131.207 0.300 1 105 18 18 PHE N N 123.452 0.300 1 106 19 19 ALA H H 9.443 0.030 1 107 19 19 ALA HA H 5.340 0.030 1 108 19 19 ALA HB H 1.255 0.030 1 109 19 19 ALA C C 174.632 0.300 1 110 19 19 ALA CA C 50.221 0.300 1 111 19 19 ALA CB C 23.710 0.300 1 112 19 19 ALA N N 120.972 0.300 1 113 20 20 LYS H H 8.906 0.030 1 114 20 20 LYS HA H 5.406 0.030 1 115 20 20 LYS HB2 H 1.538 0.030 2 116 20 20 LYS HB3 H 1.365 0.030 2 117 20 20 LYS HD2 H 1.401 0.030 2 118 20 20 LYS HD3 H 1.346 0.030 2 119 20 20 LYS HE2 H 2.543 0.030 2 120 20 20 LYS HE3 H 2.326 0.030 2 121 20 20 LYS HG2 H 1.132 0.030 1 122 20 20 LYS HG3 H 1.132 0.030 1 123 20 20 LYS C C 176.756 0.300 1 124 20 20 LYS CA C 53.625 0.300 1 125 20 20 LYS CB C 35.331 0.300 1 126 20 20 LYS CD C 29.469 0.300 1 127 20 20 LYS CE C 41.553 0.300 1 128 20 20 LYS CG C 24.857 0.300 1 129 20 20 LYS N N 120.963 0.300 1 130 21 21 ALA H H 9.395 0.030 1 131 21 21 ALA HA H 4.798 0.030 1 132 21 21 ALA HB H 1.452 0.030 1 133 21 21 ALA C C 178.680 0.300 1 134 21 21 ALA CA C 52.760 0.300 1 135 21 21 ALA CB C 19.177 0.300 1 136 21 21 ALA N N 126.776 0.300 1 137 22 22 ILE H H 8.971 0.030 1 138 22 22 ILE HA H 4.468 0.030 1 139 22 22 ILE HB H 2.128 0.030 1 140 22 22 ILE HD1 H 0.773 0.030 1 141 22 22 ILE HG12 H 1.025 0.030 2 142 22 22 ILE HG13 H 0.669 0.030 2 143 22 22 ILE HG2 H 0.873 0.030 1 144 22 22 ILE C C 174.696 0.300 1 145 22 22 ILE CA C 60.607 0.300 1 146 22 22 ILE CB C 39.245 0.300 1 147 22 22 ILE CD1 C 14.142 0.300 1 148 22 22 ILE CG1 C 26.636 0.300 1 149 22 22 ILE CG2 C 19.018 0.300 1 150 22 22 ILE N N 118.560 0.300 1 151 23 23 GLN H H 7.445 0.030 1 152 23 23 GLN HA H 4.286 0.030 1 153 23 23 GLN HB2 H 1.471 0.030 1 154 23 23 GLN HB3 H 1.471 0.030 1 155 23 23 GLN HG2 H 2.161 0.030 1 156 23 23 GLN HG3 H 2.161 0.030 1 157 23 23 GLN C C 172.615 0.300 1 158 23 23 GLN CA C 54.735 0.300 1 159 23 23 GLN CB C 32.240 0.300 1 160 23 23 GLN CG C 33.455 0.300 1 161 23 23 GLN N N 121.904 0.300 1 162 24 24 LYS H H 8.343 0.030 1 163 24 24 LYS HA H 3.966 0.030 1 164 24 24 LYS HB2 H 1.900 0.030 2 165 24 24 LYS HB3 H 1.705 0.030 2 166 24 24 LYS HD2 H 1.718 0.030 1 167 24 24 LYS HD3 H 1.718 0.030 1 168 24 24 LYS HE2 H 2.989 0.030 1 169 24 24 LYS HE3 H 2.989 0.030 1 170 24 24 LYS HG2 H 1.647 0.030 2 171 24 24 LYS HG3 H 1.289 0.030 2 172 24 24 LYS CA C 56.457 0.300 1 173 24 24 LYS CB C 33.766 0.300 1 174 24 24 LYS CD C 29.969 0.300 1 175 24 24 LYS CE C 41.958 0.300 1 176 24 24 LYS CG C 24.996 0.300 1 177 25 25 ARG H H 9.268 0.030 1 178 25 25 ARG HA H 4.682 0.030 1 179 25 25 ARG HB2 H 1.955 0.030 2 180 25 25 ARG HB3 H 1.925 0.030 2 181 25 25 ARG HD2 H 3.047 0.030 2 182 25 25 ARG HD3 H 2.773 0.030 2 183 25 25 ARG HG2 H 1.449 0.030 2 184 25 25 ARG HG3 H 1.386 0.030 2 185 25 25 ARG CA C 56.031 0.300 1 186 25 25 ARG CB C 34.153 0.300 1 187 25 25 ARG CD C 42.353 0.300 1 188 25 25 ARG CG C 28.853 0.300 1 189 25 25 ARG N N 127.406 0.300 1 190 26 26 VAL HA H 4.541 0.030 1 191 26 26 VAL HB H 2.116 0.030 1 192 26 26 VAL HG1 H 0.971 0.030 1 193 26 26 VAL HG2 H 0.957 0.030 1 194 26 26 VAL CA C 59.628 0.300 1 195 26 26 VAL CB C 32.266 0.300 1 196 26 26 VAL CG1 C 20.705 0.300 2 197 26 26 VAL CG2 C 20.705 0.300 2 198 27 27 PRO HA H 4.344 0.030 1 199 27 27 PRO HB2 H 2.088 0.030 2 200 27 27 PRO HB3 H 1.929 0.030 2 201 27 27 PRO HD2 H 3.942 0.030 2 202 27 27 PRO HD3 H 3.791 0.030 2 203 27 27 PRO HG2 H 1.998 0.030 2 204 27 27 PRO HG3 H 1.502 0.030 2 205 27 27 PRO C C 176.131 0.300 1 206 27 27 PRO CA C 62.169 0.300 1 207 27 27 PRO CB C 33.064 0.300 1 208 27 27 PRO CD C 51.046 0.300 1 209 27 27 PRO CG C 27.213 0.300 1 210 28 28 CYS H H 8.945 0.030 1 211 28 28 CYS HA H 4.267 0.030 1 212 28 28 CYS HB2 H 2.743 0.030 1 213 28 28 CYS HB3 H 2.743 0.030 1 214 28 28 CYS C C 176.379 0.300 1 215 28 28 CYS CA C 59.354 0.300 1 216 28 28 CYS CB C 28.145 0.300 1 217 28 28 CYS N N 122.320 0.300 1 218 29 29 ALA H H 8.717 0.030 1 219 29 29 ALA HA H 3.941 0.030 1 220 29 29 ALA HB H 1.242 0.030 1 221 29 29 ALA C C 177.994 0.300 1 222 29 29 ALA CA C 54.686 0.300 1 223 29 29 ALA CB C 18.509 0.300 1 224 30 30 TYR H H 7.690 0.030 1 225 30 30 TYR HA H 4.516 0.030 1 226 30 30 TYR HB2 H 3.151 0.030 1 227 30 30 TYR HB3 H 3.151 0.030 1 228 30 30 TYR HD1 H 7.112 0.030 1 229 30 30 TYR HD2 H 7.112 0.030 1 230 30 30 TYR HE1 H 6.878 0.030 1 231 30 30 TYR HE2 H 6.878 0.030 1 232 30 30 TYR C C 175.285 0.300 1 233 30 30 TYR CA C 57.169 0.300 1 234 30 30 TYR CB C 37.397 0.300 1 235 30 30 TYR CD1 C 133.268 0.300 1 236 30 30 TYR CD2 C 133.268 0.300 1 237 30 30 TYR CE1 C 118.468 0.300 1 238 30 30 TYR CE2 C 118.468 0.300 1 239 30 30 TYR N N 112.691 0.300 1 240 31 31 ASP H H 7.413 0.030 1 241 31 31 ASP HA H 4.798 0.030 1 242 31 31 ASP HB2 H 2.964 0.030 2 243 31 31 ASP HB3 H 2.318 0.030 2 244 31 31 ASP C C 176.563 0.300 1 245 31 31 ASP CA C 52.760 0.300 1 246 31 31 ASP CB C 40.523 0.300 1 247 31 31 ASP N N 121.332 0.300 1 248 32 32 LYS H H 8.516 0.030 1 249 32 32 LYS HA H 4.293 0.030 1 250 32 32 LYS HB2 H 2.046 0.030 2 251 32 32 LYS HB3 H 1.885 0.030 2 252 32 32 LYS HD2 H 1.727 0.030 1 253 32 32 LYS HD3 H 1.727 0.030 1 254 32 32 LYS HE2 H 3.044 0.030 1 255 32 32 LYS HE3 H 3.044 0.030 1 256 32 32 LYS HG2 H 1.565 0.030 1 257 32 32 LYS HG3 H 1.565 0.030 1 258 32 32 LYS C C 177.717 0.300 1 259 32 32 LYS CA C 57.521 0.300 1 260 32 32 LYS CB C 32.158 0.300 1 261 32 32 LYS CD C 28.696 0.300 1 262 32 32 LYS CE C 42.255 0.300 1 263 32 32 LYS CG C 24.894 0.300 1 264 32 32 LYS N N 123.322 0.300 1 265 33 33 THR H H 8.250 0.030 1 266 33 33 THR HA H 4.545 0.030 1 267 33 33 THR HB H 4.503 0.030 1 268 33 33 THR HG2 H 1.235 0.030 1 269 33 33 THR C C 173.932 0.300 1 270 33 33 THR CA C 61.559 0.300 1 271 33 33 THR CB C 69.851 0.300 1 272 33 33 THR CG2 C 21.911 0.300 1 273 33 33 THR N N 108.218 0.300 1 274 34 34 ALA H H 7.097 0.030 1 275 34 34 ALA HA H 4.534 0.030 1 276 34 34 ALA HB H 1.315 0.030 1 277 34 34 ALA C C 176.582 0.300 1 278 34 34 ALA CA C 51.931 0.300 1 279 34 34 ALA CB C 20.191 0.300 1 280 34 34 ALA N N 124.835 0.300 1 281 35 35 LEU H H 8.948 0.030 1 282 35 35 LEU HA H 4.345 0.030 1 283 35 35 LEU HB2 H 1.623 0.030 2 284 35 35 LEU HB3 H 0.958 0.030 2 285 35 35 LEU HD1 H 0.636 0.030 1 286 35 35 LEU HD2 H 0.783 0.030 1 287 35 35 LEU HG H 1.426 0.030 1 288 35 35 LEU C C 175.954 0.300 1 289 35 35 LEU CA C 54.101 0.300 1 290 35 35 LEU CB C 44.676 0.300 1 291 35 35 LEU CD1 C 25.811 0.300 2 292 35 35 LEU CD2 C 23.586 0.300 2 293 35 35 LEU CG C 25.978 0.300 1 294 35 35 LEU N N 124.512 0.300 1 295 36 36 ALA H H 8.616 0.030 1 296 36 36 ALA HA H 4.454 0.030 1 297 36 36 ALA HB H 1.399 0.030 1 298 36 36 ALA C C 176.822 0.300 1 299 36 36 ALA CA C 51.702 0.300 1 300 36 36 ALA CB C 19.218 0.300 1 301 36 36 ALA N N 129.840 0.300 1 302 37 37 LEU H H 8.536 0.030 1 303 37 37 LEU HA H 4.777 0.030 1 304 37 37 LEU HB2 H 1.679 0.030 2 305 37 37 LEU HB3 H 1.088 0.030 2 306 37 37 LEU HD1 H 0.488 0.030 1 307 37 37 LEU HD2 H 0.539 0.030 1 308 37 37 LEU HG H 1.375 0.030 1 309 37 37 LEU C C 175.959 0.300 1 310 37 37 LEU CA C 53.783 0.300 1 311 37 37 LEU CB C 46.471 0.300 1 312 37 37 LEU CD1 C 25.235 0.300 2 313 37 37 LEU CD2 C 24.236 0.300 2 314 37 37 LEU CG C 25.894 0.300 1 315 37 37 LEU N N 119.257 0.300 1 316 38 38 GLU H H 8.948 0.030 1 317 38 38 GLU HA H 4.450 0.030 1 318 38 38 GLU HB2 H 1.935 0.030 2 319 38 38 GLU HB3 H 1.758 0.030 2 320 38 38 GLU HG2 H 2.356 0.030 2 321 38 38 GLU HG3 H 2.175 0.030 2 322 38 38 GLU C C 175.724 0.300 1 323 38 38 GLU CA C 53.519 0.300 1 324 38 38 GLU CB C 31.292 0.300 1 325 38 38 GLU CG C 35.690 0.300 1 326 38 38 GLU N N 123.623 0.300 1 327 39 39 VAL H H 9.019 0.030 1 328 39 39 VAL HA H 2.933 0.030 1 329 39 39 VAL HB H 1.827 0.030 1 330 39 39 VAL HG1 H 0.784 0.030 1 331 39 39 VAL HG2 H 0.824 0.030 1 332 39 39 VAL C C 177.949 0.300 1 333 39 39 VAL CA C 65.985 0.300 1 334 39 39 VAL CB C 30.692 0.300 1 335 39 39 VAL CG1 C 22.844 0.300 2 336 39 39 VAL CG2 C 21.361 0.300 2 337 39 39 VAL N N 122.089 0.300 1 338 40 40 GLY H H 8.816 0.030 1 339 40 40 GLY HA2 H 4.493 0.030 2 340 40 40 GLY HA3 H 3.407 0.030 2 341 40 40 GLY C C 174.317 0.300 1 342 40 40 GLY CA C 44.649 0.300 1 343 40 40 GLY N N 116.118 0.300 1 344 41 41 ASP H H 8.185 0.030 1 345 41 41 ASP HA H 4.414 0.030 1 346 41 41 ASP HB2 H 2.646 0.030 2 347 41 41 ASP HB3 H 2.347 0.030 2 348 41 41 ASP C C 175.329 0.300 1 349 41 41 ASP CA C 55.934 0.300 1 350 41 41 ASP CB C 41.852 0.300 1 351 41 41 ASP N N 121.906 0.300 1 352 42 42 ILE H H 8.555 0.030 1 353 42 42 ILE HA H 4.698 0.030 1 354 42 42 ILE HB H 2.037 0.030 1 355 42 42 ILE HD1 H 0.822 0.030 1 356 42 42 ILE HG12 H 1.680 0.030 2 357 42 42 ILE HG13 H 1.297 0.030 2 358 42 42 ILE HG2 H 1.086 0.030 1 359 42 42 ILE C C 174.934 0.300 1 360 42 42 ILE CA C 60.165 0.300 1 361 42 42 ILE CB C 37.023 0.300 1 362 42 42 ILE CD1 C 11.740 0.300 1 363 42 42 ILE CG1 C 27.574 0.300 1 364 42 42 ILE CG2 C 17.818 0.300 1 365 42 42 ILE N N 121.490 0.300 1 366 43 43 VAL H H 9.499 0.030 1 367 43 43 VAL HA H 4.354 0.030 1 368 43 43 VAL HB H 1.745 0.030 1 369 43 43 VAL HG1 H 0.520 0.030 1 370 43 43 VAL HG2 H 0.459 0.030 1 371 43 43 VAL C C 175.504 0.300 1 372 43 43 VAL CA C 60.113 0.300 1 373 43 43 VAL CB C 34.523 0.300 1 374 43 43 VAL CG1 C 21.278 0.300 2 375 43 43 VAL CG2 C 20.946 0.300 2 376 43 43 VAL N N 128.923 0.300 1 377 44 44 LYS H H 8.760 0.030 1 378 44 44 LYS HA H 4.382 0.030 1 379 44 44 LYS HB2 H 1.874 0.030 2 380 44 44 LYS HB3 H 1.788 0.030 2 381 44 44 LYS HD2 H 1.605 0.030 1 382 44 44 LYS HD3 H 1.605 0.030 1 383 44 44 LYS HE2 H 2.805 0.030 1 384 44 44 LYS HE3 H 2.805 0.030 1 385 44 44 LYS HG2 H 0.881 0.030 1 386 44 44 LYS HG3 H 0.881 0.030 1 387 44 44 LYS C C 175.468 0.300 1 388 44 44 LYS CA C 55.581 0.300 1 389 44 44 LYS CB C 33.103 0.300 1 390 44 44 LYS CD C 29.603 0.300 1 391 44 44 LYS CE C 42.017 0.300 1 392 44 44 LYS CG C 24.987 0.300 1 393 44 44 LYS N N 128.243 0.300 1 394 45 45 VAL H H 9.102 0.030 1 395 45 45 VAL HA H 4.332 0.030 1 396 45 45 VAL HB H 2.024 0.030 1 397 45 45 VAL HG1 H 1.106 0.030 1 398 45 45 VAL HG2 H 0.745 0.030 1 399 45 45 VAL C C 176.116 0.300 1 400 45 45 VAL CA C 63.605 0.300 1 401 45 45 VAL CB C 31.457 0.300 1 402 45 45 VAL CG1 C 22.103 0.300 2 403 45 45 VAL CG2 C 22.265 0.300 2 404 45 45 VAL N N 129.660 0.300 1 405 46 46 THR H H 9.153 0.030 1 406 46 46 THR HA H 4.312 0.030 1 407 46 46 THR HB H 4.195 0.030 1 408 46 46 THR HG2 H 1.093 0.030 1 409 46 46 THR C C 176.062 0.300 1 410 46 46 THR CA C 62.581 0.300 1 411 46 46 THR CB C 68.720 0.300 1 412 46 46 THR CG2 C 22.513 0.300 1 413 46 46 THR N N 119.962 0.300 1 414 47 47 ARG H H 7.643 0.030 1 415 47 47 ARG HA H 4.271 0.030 1 416 47 47 ARG HB2 H 1.744 0.030 2 417 47 47 ARG HB3 H 1.618 0.030 2 418 47 47 ARG HD2 H 3.161 0.030 1 419 47 47 ARG HD3 H 3.161 0.030 1 420 47 47 ARG HG2 H 1.499 0.030 2 421 47 47 ARG HG3 H 1.429 0.030 2 422 47 47 ARG C C 174.300 0.300 1 423 47 47 ARG CA C 57.173 0.300 1 424 47 47 ARG CB C 33.873 0.300 1 425 47 47 ARG CD C 43.553 0.300 1 426 47 47 ARG CG C 27.460 0.300 1 427 47 47 ARG N N 120.845 0.300 1 428 48 48 MET H H 8.578 0.030 1 429 48 48 MET HA H 3.197 0.030 1 430 48 48 MET HB2 H 1.334 0.030 2 431 48 48 MET HB3 H 1.070 0.030 2 432 48 48 MET HE H 1.530 0.030 1 433 48 48 MET HG2 H 1.393 0.030 2 434 48 48 MET HG3 H 0.136 0.030 2 435 48 48 MET C C 174.388 0.300 1 436 48 48 MET CA C 53.994 0.300 1 437 48 48 MET CB C 32.700 0.300 1 438 48 48 MET CE C 17.208 0.300 1 439 48 48 MET CG C 31.321 0.300 1 440 48 48 MET N N 125.958 0.300 1 441 49 49 ASN H H 6.603 0.030 1 442 49 49 ASN HA H 4.657 0.030 1 443 49 49 ASN HB2 H 2.934 0.030 2 444 49 49 ASN HB3 H 2.810 0.030 2 445 49 49 ASN HD21 H 7.847 0.030 2 446 49 49 ASN HD22 H 7.265 0.030 2 447 49 49 ASN C C 174.404 0.300 1 448 49 49 ASN CA C 53.683 0.300 1 449 49 49 ASN CB C 39.784 0.300 1 450 49 49 ASN N N 119.331 0.300 1 451 49 49 ASN ND2 N 114.176 0.300 1 452 50 50 ILE H H 7.302 0.030 1 453 50 50 ILE HA H 4.132 0.030 1 454 50 50 ILE HB H 1.939 0.030 1 455 50 50 ILE HD1 H 0.855 0.030 1 456 50 50 ILE HG12 H 1.416 0.030 2 457 50 50 ILE HG13 H 1.271 0.030 2 458 50 50 ILE HG2 H 0.958 0.030 1 459 50 50 ILE C C 176.135 0.300 1 460 50 50 ILE CA C 62.613 0.300 1 461 50 50 ILE CB C 38.176 0.300 1 462 50 50 ILE CD1 C 13.705 0.300 1 463 50 50 ILE CG1 C 27.626 0.300 1 464 50 50 ILE CG2 C 17.800 0.300 1 465 51 51 ASN H H 8.363 0.030 1 466 51 51 ASN HA H 4.537 0.030 1 467 51 51 ASN HB2 H 3.118 0.030 2 468 51 51 ASN HB3 H 2.849 0.030 2 469 51 51 ASN HD21 H 7.399 0.030 2 470 51 51 ASN HD22 H 6.789 0.030 2 471 51 51 ASN C C 176.293 0.300 1 472 51 51 ASN CA C 53.201 0.300 1 473 51 51 ASN CB C 37.472 0.300 1 474 51 51 ASN N N 119.647 0.300 1 475 51 51 ASN ND2 N 109.267 0.300 1 476 52 52 GLY H H 8.143 0.030 1 477 52 52 GLY HA2 H 4.264 0.030 2 478 52 52 GLY HA3 H 3.662 0.030 2 479 52 52 GLY C C 173.249 0.300 1 480 52 52 GLY CA C 45.619 0.300 1 481 52 52 GLY N N 107.238 0.300 1 482 53 53 GLN H H 8.106 0.030 1 483 53 53 GLN HA H 4.579 0.030 1 484 53 53 GLN HB2 H 1.956 0.030 1 485 53 53 GLN HB3 H 1.956 0.030 1 486 53 53 GLN HE21 H 7.331 0.030 2 487 53 53 GLN HE22 H 6.467 0.030 2 488 53 53 GLN HG2 H 2.239 0.030 2 489 53 53 GLN HG3 H 1.968 0.030 2 490 53 53 GLN C C 175.066 0.300 1 491 53 53 GLN CA C 54.453 0.300 1 492 53 53 GLN CB C 28.516 0.300 1 493 53 53 GLN CG C 33.641 0.300 1 494 53 53 GLN N N 120.813 0.300 1 495 53 53 GLN NE2 N 110.764 0.300 1 496 54 54 TRP H H 8.455 0.030 1 497 54 54 TRP HA H 4.886 0.030 1 498 54 54 TRP HB2 H 2.845 0.030 2 499 54 54 TRP HB3 H 2.086 0.030 2 500 54 54 TRP HD1 H 6.986 0.030 1 501 54 54 TRP HE1 H 9.830 0.030 1 502 54 54 TRP HE3 H 7.479 0.030 1 503 54 54 TRP HH2 H 7.272 0.030 1 504 54 54 TRP HZ2 H 7.246 0.030 1 505 54 54 TRP HZ3 H 6.917 0.030 1 506 54 54 TRP C C 172.798 0.300 1 507 54 54 TRP CA C 54.470 0.300 1 508 54 54 TRP CB C 32.025 0.300 1 509 54 54 TRP CD1 C 122.386 0.300 1 510 54 54 TRP CE3 C 120.851 0.300 1 511 54 54 TRP CH2 C 125.679 0.300 1 512 54 54 TRP CZ2 C 115.320 0.300 1 513 54 54 TRP CZ3 C 121.048 0.300 1 514 54 54 TRP N N 125.686 0.300 1 515 54 54 TRP NE1 N 127.340 0.300 1 516 55 55 GLU H H 8.630 0.030 1 517 55 55 GLU HA H 5.215 0.030 1 518 55 55 GLU HB2 H 2.061 0.030 2 519 55 55 GLU HB3 H 1.741 0.030 2 520 55 55 GLU HG2 H 2.197 0.030 2 521 55 55 GLU HG3 H 2.087 0.030 2 522 55 55 GLU C C 176.514 0.300 1 523 55 55 GLU CA C 54.236 0.300 1 524 55 55 GLU CB C 33.656 0.300 1 525 55 55 GLU CG C 37.243 0.300 1 526 55 55 GLU N N 118.751 0.300 1 527 56 56 GLY H H 9.086 0.030 1 528 56 56 GLY HA2 H 5.164 0.030 2 529 56 56 GLY HA3 H 4.136 0.030 2 530 56 56 GLY C C 170.788 0.300 1 531 56 56 GLY CA C 46.771 0.300 1 532 56 56 GLY N N 111.414 0.300 1 533 57 57 GLU H H 8.810 0.030 1 534 57 57 GLU HA H 5.777 0.030 1 535 57 57 GLU HB2 H 1.991 0.030 2 536 57 57 GLU HB3 H 1.882 0.030 2 537 57 57 GLU HG2 H 2.146 0.030 2 538 57 57 GLU HG3 H 2.111 0.030 2 539 57 57 GLU C C 176.036 0.300 1 540 57 57 GLU CA C 54.135 0.300 1 541 57 57 GLU CB C 34.631 0.300 1 542 57 57 GLU CG C 36.196 0.300 1 543 57 57 GLU N N 117.509 0.300 1 544 58 58 VAL H H 8.882 0.030 1 545 58 58 VAL HA H 4.472 0.030 1 546 58 58 VAL HB H 1.991 0.030 1 547 58 58 VAL HG1 H 0.933 0.030 1 548 58 58 VAL HG2 H 0.931 0.030 1 549 58 58 VAL C C 175.222 0.300 1 550 58 58 VAL CA C 61.330 0.300 1 551 58 58 VAL CB C 34.631 0.300 1 552 58 58 VAL CG1 C 20.366 0.300 2 553 58 58 VAL CG2 C 22.510 0.300 2 554 58 58 VAL N N 123.735 0.300 1 555 59 59 ASN H H 9.377 0.030 1 556 59 59 ASN HA H 4.451 0.030 1 557 59 59 ASN HB2 H 3.129 0.030 2 558 59 59 ASN HB3 H 2.780 0.030 2 559 59 59 ASN HD21 H 7.622 0.030 2 560 59 59 ASN HD22 H 6.992 0.030 2 561 59 59 ASN C C 175.199 0.300 1 562 59 59 ASN CA C 54.416 0.300 1 563 59 59 ASN CB C 37.864 0.300 1 564 59 59 ASN N N 126.051 0.300 1 565 59 59 ASN ND2 N 113.327 0.300 1 566 60 60 GLY H H 8.816 0.030 1 567 60 60 GLY HA2 H 4.207 0.030 2 568 60 60 GLY HA3 H 3.665 0.030 2 569 60 60 GLY C C 173.964 0.300 1 570 60 60 GLY CA C 45.648 0.300 1 571 60 60 GLY N N 104.538 0.300 1 572 61 61 ARG H H 8.188 0.030 1 573 61 61 ARG HA H 4.597 0.030 1 574 61 61 ARG HB2 H 1.996 0.030 2 575 61 61 ARG HB3 H 1.812 0.030 2 576 61 61 ARG HD2 H 3.331 0.030 1 577 61 61 ARG HD3 H 3.331 0.030 1 578 61 61 ARG HG2 H 1.680 0.030 2 579 61 61 ARG HG3 H 1.640 0.030 2 580 61 61 ARG C C 174.421 0.300 1 581 61 61 ARG CA C 55.317 0.300 1 582 61 61 ARG CB C 31.768 0.300 1 583 61 61 ARG CD C 43.366 0.300 1 584 61 61 ARG CG C 28.037 0.300 1 585 61 61 ARG N N 122.615 0.300 1 586 62 62 LYS H H 8.492 0.030 1 587 62 62 LYS HA H 5.584 0.030 1 588 62 62 LYS HB2 H 1.858 0.030 2 589 62 62 LYS HB3 H 1.719 0.030 2 590 62 62 LYS HD2 H 1.657 0.030 1 591 62 62 LYS HD3 H 1.657 0.030 1 592 62 62 LYS HE2 H 2.913 0.030 1 593 62 62 LYS HE3 H 2.913 0.030 1 594 62 62 LYS HG2 H 1.400 0.030 2 595 62 62 LYS HG3 H 1.343 0.030 2 596 62 62 LYS C C 176.878 0.300 1 597 62 62 LYS CA C 54.679 0.300 1 598 62 62 LYS CB C 36.133 0.300 1 599 62 62 LYS CD C 29.617 0.300 1 600 62 62 LYS CE C 42.035 0.300 1 601 62 62 LYS CG C 24.968 0.300 1 602 62 62 LYS N N 121.504 0.300 1 603 63 63 GLY H H 8.741 0.030 1 604 63 63 GLY HA2 H 4.254 0.030 2 605 63 63 GLY HA3 H 4.142 0.030 2 606 63 63 GLY C C 170.900 0.300 1 607 63 63 GLY CA C 46.025 0.300 1 608 63 63 GLY N N 109.680 0.300 1 609 64 64 LEU H H 8.737 0.030 1 610 64 64 LEU HA H 5.744 0.030 1 611 64 64 LEU HB2 H 1.682 0.030 2 612 64 64 LEU HB3 H 1.371 0.030 2 613 64 64 LEU HD1 H 0.854 0.030 1 614 64 64 LEU HD2 H 0.755 0.030 1 615 64 64 LEU HG H 1.721 0.030 1 616 64 64 LEU C C 178.587 0.300 1 617 64 64 LEU CA C 53.624 0.300 1 618 64 64 LEU CB C 44.812 0.300 1 619 64 64 LEU CD1 C 25.399 0.300 2 620 64 64 LEU CD2 C 23.885 0.300 2 621 64 64 LEU CG C 27.872 0.300 1 622 64 64 LEU N N 119.636 0.300 1 623 65 65 PHE H H 9.113 0.030 1 624 65 65 PHE HA H 5.009 0.030 1 625 65 65 PHE HB2 H 3.052 0.030 2 626 65 65 PHE HB3 H 2.624 0.030 2 627 65 65 PHE HD1 H 6.972 0.030 1 628 65 65 PHE HD2 H 6.972 0.030 1 629 65 65 PHE HE1 H 6.987 0.030 1 630 65 65 PHE HE2 H 6.987 0.030 1 631 65 65 PHE HZ H 7.283 0.030 1 632 65 65 PHE C C 170.162 0.300 1 633 65 65 PHE CA C 55.405 0.300 1 634 65 65 PHE CB C 38.790 0.300 1 635 65 65 PHE CD1 C 133.883 0.300 1 636 65 65 PHE CD2 C 133.883 0.300 1 637 65 65 PHE CE1 C 129.936 0.300 1 638 65 65 PHE CE2 C 129.936 0.300 1 639 65 65 PHE CZ C 128.708 0.300 1 640 65 65 PHE N N 118.723 0.300 1 641 66 66 PRO HA H 4.756 0.030 1 642 66 66 PRO HB2 H 1.935 0.030 1 643 66 66 PRO HB3 H 1.935 0.030 1 644 66 66 PRO HD2 H 3.532 0.030 2 645 66 66 PRO HD3 H 3.170 0.030 2 646 66 66 PRO HG2 H 1.509 0.030 1 647 66 66 PRO HG3 H 1.509 0.030 1 648 66 66 PRO CA C 61.559 0.300 1 649 66 66 PRO CB C 31.754 0.300 1 650 66 66 PRO CD C 50.189 0.300 1 651 66 66 PRO CG C 27.100 0.300 1 652 67 67 PHE H H 8.238 0.030 1 653 67 67 PHE HA H 3.407 0.030 1 654 67 67 PHE HB2 H 1.149 0.030 2 655 67 67 PHE HB3 H 0.990 0.030 2 656 67 67 PHE HD1 H 6.968 0.030 1 657 67 67 PHE HD2 H 6.968 0.030 1 658 67 67 PHE HE1 H 7.320 0.030 1 659 67 67 PHE HE2 H 7.320 0.030 1 660 67 67 PHE C C 174.757 0.300 1 661 67 67 PHE CA C 59.461 0.300 1 662 67 67 PHE CB C 35.207 0.300 1 663 67 67 PHE CD1 C 131.872 0.300 1 664 67 67 PHE CD2 C 131.872 0.300 1 665 67 67 PHE CE1 C 131.505 0.300 1 666 67 67 PHE CE2 C 131.505 0.300 1 667 67 67 PHE N N 123.531 0.300 1 668 68 68 THR H H 6.454 0.030 1 669 68 68 THR HA H 3.616 0.030 1 670 68 68 THR HB H 4.168 0.030 1 671 68 68 THR HG2 H 0.699 0.030 1 672 68 68 THR CA C 62.246 0.300 1 673 68 68 THR CB C 69.484 0.300 1 674 68 68 THR CG2 C 21.908 0.300 1 675 68 68 THR N N 107.821 0.300 1 676 69 69 HIS H H 7.872 0.030 1 677 69 69 HIS HA H 4.211 0.030 1 678 69 69 HIS HB2 H 3.515 0.030 2 679 69 69 HIS HB3 H 2.905 0.030 2 680 69 69 HIS HE1 H 7.532 0.030 1 681 69 69 HIS C C 175.172 0.300 1 682 69 69 HIS CA C 57.652 0.300 1 683 69 69 HIS CB C 30.468 0.300 1 684 69 69 HIS CE1 C 139.052 0.300 1 685 70 70 VAL H H 7.563 0.030 1 686 70 70 VAL HA H 5.456 0.030 1 687 70 70 VAL HB H 1.946 0.030 1 688 70 70 VAL HG1 H 0.932 0.030 1 689 70 70 VAL HG2 H 0.520 0.030 1 690 70 70 VAL C C 173.331 0.300 1 691 70 70 VAL CA C 58.315 0.300 1 692 70 70 VAL CB C 36.114 0.300 1 693 70 70 VAL CG1 C 18.938 0.300 2 694 70 70 VAL CG2 C 21.361 0.300 2 695 70 70 VAL N N 109.882 0.300 1 696 71 71 LYS H H 8.743 0.030 1 697 71 71 LYS HA H 4.883 0.030 1 698 71 71 LYS HB2 H 1.813 0.030 2 699 71 71 LYS HB3 H 1.703 0.030 2 700 71 71 LYS HD2 H 1.746 0.030 1 701 71 71 LYS HD3 H 1.746 0.030 1 702 71 71 LYS HE2 H 3.002 0.030 2 703 71 71 LYS HG2 H 1.488 0.030 1 704 71 71 LYS HG3 H 1.488 0.030 1 705 71 71 LYS C C 176.478 0.300 1 706 71 71 LYS CA C 54.717 0.300 1 707 71 71 LYS CB C 36.114 0.300 1 708 71 71 LYS CD C 29.603 0.300 1 709 71 71 LYS CE C 42.295 0.300 1 710 71 71 LYS CG C 24.740 0.300 1 711 71 71 LYS N N 119.421 0.300 1 712 72 72 ILE H H 9.198 0.030 1 713 72 72 ILE HA H 4.482 0.030 1 714 72 72 ILE HB H 1.977 0.030 1 715 72 72 ILE HD1 H 1.100 0.030 1 716 72 72 ILE HG12 H 1.916 0.030 2 717 72 72 ILE HG13 H 1.432 0.030 2 718 72 72 ILE HG2 H 1.131 0.030 1 719 72 72 ILE C C 175.630 0.300 1 720 72 72 ILE CA C 62.563 0.300 1 721 72 72 ILE CB C 37.976 0.300 1 722 72 72 ILE CD1 C 12.954 0.300 1 723 72 72 ILE CG1 C 28.824 0.300 1 724 72 72 ILE CG2 C 17.404 0.300 1 725 72 72 ILE N N 129.044 0.300 1 726 73 73 PHE H H 8.737 0.030 1 727 73 73 PHE HA H 4.977 0.030 1 728 73 73 PHE HB2 H 3.132 0.030 2 729 73 73 PHE HB3 H 2.992 0.030 2 730 73 73 PHE HD1 H 7.158 0.030 1 731 73 73 PHE HD2 H 7.158 0.030 1 732 73 73 PHE HE1 H 7.233 0.030 1 733 73 73 PHE HE2 H 7.233 0.030 1 734 73 73 PHE HZ H 7.235 0.030 1 735 73 73 PHE C C 172.184 0.300 1 736 73 73 PHE CA C 55.987 0.300 1 737 73 73 PHE CB C 41.721 0.300 1 738 73 73 PHE CD1 C 131.959 0.300 1 739 73 73 PHE CD2 C 131.959 0.300 1 740 73 73 PHE CE1 C 129.488 0.300 1 741 73 73 PHE CE2 C 129.488 0.300 1 742 73 73 PHE CZ C 130.971 0.300 1 743 73 73 PHE N N 126.695 0.300 1 744 74 74 ASP H H 8.626 0.030 1 745 74 74 ASP HA H 4.995 0.030 1 746 74 74 ASP HB2 H 2.906 0.030 2 747 74 74 ASP HB3 H 2.552 0.030 2 748 74 74 ASP C C 175.335 0.300 1 749 74 74 ASP CA C 50.080 0.300 1 750 74 74 ASP CB C 42.137 0.300 1 751 74 74 ASP N N 122.496 0.300 1 752 75 75 PRO HA H 4.199 0.030 1 753 75 75 PRO HB2 H 2.131 0.030 2 754 75 75 PRO HB3 H 1.815 0.030 2 755 75 75 PRO HD2 H 3.830 0.030 2 756 75 75 PRO HD3 H 3.604 0.030 2 757 75 75 PRO HG2 H 1.668 0.030 2 758 75 75 PRO HG3 H 1.499 0.030 2 759 75 75 PRO C C 177.385 0.300 1 760 75 75 PRO CA C 63.718 0.300 1 761 75 75 PRO CB C 32.159 0.300 1 762 75 75 PRO CD C 50.899 0.300 1 763 75 75 PRO CG C 27.189 0.300 1 764 76 76 GLN H H 8.203 0.030 1 765 76 76 GLN HA H 4.225 0.030 1 766 76 76 GLN HB2 H 2.152 0.030 2 767 76 76 GLN HB3 H 2.040 0.030 2 768 76 76 GLN HG2 H 2.373 0.030 2 769 76 76 GLN HG3 H 2.303 0.030 2 770 76 76 GLN C C 175.748 0.300 1 771 76 76 GLN CA C 56.065 0.300 1 772 76 76 GLN CB C 29.226 0.300 1 773 76 76 GLN CG C 34.470 0.300 1 774 76 76 GLN N N 115.728 0.300 1 775 77 77 ASN H H 7.842 0.030 1 776 77 77 ASN HA H 5.021 0.030 1 777 77 77 ASN HB2 H 2.844 0.030 2 778 77 77 ASN HB3 H 2.603 0.030 2 779 77 77 ASN HD21 H 7.805 0.030 2 780 77 77 ASN HD22 H 6.986 0.030 2 781 77 77 ASN CA C 51.119 0.300 1 782 77 77 ASN CB C 39.456 0.300 1 783 77 77 ASN N N 118.546 0.300 1 784 77 77 ASN ND2 N 113.606 0.300 1 785 78 78 PRO HA H 4.419 0.030 1 786 78 78 PRO HB2 H 2.243 0.030 2 787 78 78 PRO HB3 H 1.976 0.030 2 788 78 78 PRO HD2 H 3.712 0.030 2 789 78 78 PRO HD3 H 3.627 0.030 2 790 78 78 PRO HG2 H 1.988 0.030 1 791 78 78 PRO HG3 H 1.988 0.030 1 792 78 78 PRO C C 176.891 0.300 1 793 78 78 PRO CA C 64.045 0.300 1 794 78 78 PRO CB C 32.158 0.300 1 795 78 78 PRO CD C 50.526 0.300 1 796 78 78 PRO CG C 27.048 0.300 1 797 79 79 ASP H H 8.308 0.030 1 798 79 79 ASP HA H 4.608 0.030 1 799 79 79 ASP HB2 H 2.749 0.030 2 800 79 79 ASP HB3 H 2.597 0.030 2 801 79 79 ASP C C 176.496 0.300 1 802 79 79 ASP CA C 54.489 0.300 1 803 79 79 ASP CB C 41.154 0.300 1 804 79 79 ASP N N 119.575 0.300 1 805 80 80 GLU H H 8.167 0.030 1 806 80 80 GLU HA H 4.252 0.030 1 807 80 80 GLU HB2 H 2.093 0.030 2 808 80 80 GLU HB3 H 1.966 0.030 2 809 80 80 GLU HG2 H 2.259 0.030 1 810 80 80 GLU HG3 H 2.259 0.030 1 811 80 80 GLU C C 176.378 0.300 1 812 80 80 GLU CA C 56.921 0.300 1 813 80 80 GLU CB C 30.187 0.300 1 814 80 80 GLU CG C 36.209 0.300 1 815 80 80 GLU N N 120.815 0.300 1 816 81 81 ASN H H 8.406 0.030 1 817 81 81 ASN HA H 4.693 0.030 1 818 81 81 ASN HB2 H 2.832 0.030 2 819 81 81 ASN HB3 H 2.771 0.030 2 820 81 81 ASN HD21 H 7.649 0.030 2 821 81 81 ASN HD22 H 6.939 0.030 2 822 81 81 ASN C C 175.369 0.300 1 823 81 81 ASN CA C 53.554 0.300 1 824 81 81 ASN CB C 39.274 0.300 1 825 81 81 ASN N N 119.104 0.300 1 826 81 81 ASN ND2 N 113.433 0.300 1 827 82 82 GLU H H 8.377 0.030 1 828 82 82 GLU HA H 4.315 0.030 1 829 82 82 GLU HB2 H 2.108 0.030 2 830 82 82 GLU HG2 H 2.272 0.030 2 831 82 82 GLU C C 176.549 0.300 1 832 82 82 GLU CA C 56.886 0.300 1 833 82 82 GLU CB C 29.687 0.300 1 834 82 82 GLU CG C 33.813 0.300 1 835 82 82 GLU N N 121.340 0.300 1 stop_ save_