data_7002 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for the Ede1 UBA-ubiquitin complex ; _BMRB_accession_number 7002 _BMRB_flat_file_name bmr7002.str _Entry_type original _Submission_date 2006-02-22 _Accession_date 2006-02-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Swanson Kurt A. . 2 Radhakrishnan Ishwar . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 657 "13C chemical shifts" 500 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-27 original author . stop_ _Original_release_date 2006-04-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis for Monoubiquitin Recognition by the Ede1 UBA Domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16563434 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Swanson Kurt A. . 2 Hicke Linda . . 3 Radhakrishnan Ishwar . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 358 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 713 _Page_last 724 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ede1 UBA-ubiquitin complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ubiquitin $Ubiquitin 'Ede1 UBA' $UBA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ubiquitin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ubiquitin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVESS DTIDNVKSKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ILE 4 PHE 5 VAL 6 LYS 7 THR 8 LEU 9 THR 10 GLY 11 LYS 12 THR 13 ILE 14 THR 15 LEU 16 GLU 17 VAL 18 GLU 19 SER 20 SER 21 ASP 22 THR 23 ILE 24 ASP 25 ASN 26 VAL 27 LYS 28 SER 29 LYS 30 ILE 31 GLN 32 ASP 33 LYS 34 GLU 35 GLY 36 ILE 37 PRO 38 PRO 39 ASP 40 GLN 41 GLN 42 ARG 43 LEU 44 ILE 45 PHE 46 ALA 47 GLY 48 LYS 49 GLN 50 LEU 51 GLU 52 ASP 53 GLY 54 ARG 55 THR 56 LEU 57 SER 58 ASP 59 TYR 60 ASN 61 ILE 62 GLN 63 LYS 64 GLU 65 SER 66 THR 67 LEU 68 HIS 69 LEU 70 VAL 71 LEU 72 ARG 73 LEU 74 ARG 75 GLY 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2G3Q "Solution Structure Of Ede1 Uba-Ubiquitin Complex" 100.00 43 100.00 100.00 4.29e-21 DBJ GAA21503 "K7_Ede1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 1381 100.00 100.00 9.54e-20 EMBL CAA80797 "YBLO501 [Saccharomyces cerevisiae]" 100.00 803 100.00 100.00 3.58e-20 EMBL CAA84867 "unnamed protein product [Saccharomyces cerevisiae]" 100.00 1381 100.00 100.00 9.01e-20 EMBL CAY77738 "Ede1p [Saccharomyces cerevisiae EC1118]" 100.00 1380 100.00 100.00 8.75e-20 GB AHY74439 "Ede1p [Saccharomyces cerevisiae YJM993]" 100.00 1381 100.00 100.00 9.54e-20 GB EDN64569 "EH domains and endocytosis-related protein [Saccharomyces cerevisiae YJM789]" 100.00 1381 100.00 100.00 9.54e-20 GB EDV12138 "hypothetical protein SCRG_03011 [Saccharomyces cerevisiae RM11-1a]" 100.00 1381 100.00 100.00 9.54e-20 GB EDZ73911 "YBL047Cp-like protein [Saccharomyces cerevisiae AWRI1631]" 100.00 689 100.00 100.00 4.25e-20 GB EEU07701 "Ede1p [Saccharomyces cerevisiae JAY291]" 100.00 1381 100.00 100.00 9.54e-20 REF NP_009506 "Ede1p [Saccharomyces cerevisiae S288c]" 100.00 1381 100.00 100.00 9.01e-20 REF XP_011102417 "ede1p [Saccharomyces arboricola H-6]" 95.35 1390 97.56 100.00 1.48e-18 SP P34216 "RecName: Full=EH domain-containing and endocytosis protein 1; AltName: Full=Bud site selection protein 15 [Saccharomyces cerevi" 100.00 1381 100.00 100.00 9.01e-20 TPG DAA07071 "TPA: Ede1p [Saccharomyces cerevisiae S288c]" 100.00 1381 100.00 100.00 9.01e-20 stop_ save_ save_UBA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ede1 UBA' _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 43 _Mol_residue_sequence ; TTPKSLAVEELSGMGFTEEE AHNALEKCNWDLEAATNFLL DSA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1339 THR 2 1340 THR 3 1341 PRO 4 1342 LYS 5 1343 SER 6 1344 LEU 7 1345 ALA 8 1346 VAL 9 1347 GLU 10 1348 GLU 11 1349 LEU 12 1350 SER 13 1351 GLY 14 1352 MET 15 1353 GLY 16 1354 PHE 17 1355 THR 18 1356 GLU 19 1357 GLU 20 1358 GLU 21 1359 ALA 22 1360 HIS 23 1361 ASN 24 1362 ALA 25 1363 LEU 26 1364 GLU 27 1365 LYS 28 1366 CYS 29 1367 ASN 30 1368 TRP 31 1369 ASP 32 1370 LEU 33 1371 GLU 34 1372 ALA 35 1373 ALA 36 1374 THR 37 1375 ASN 38 1376 PHE 39 1377 LEU 40 1378 LEU 41 1379 ASP 42 1380 SER 43 1381 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UBA Yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae $Ubiquitin Yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Ubiquitin 'recombinant technology' 'E. Coli' . . . . $UBA 'recombinant technology' 'E. Coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1mM each Ede1 UBA and ubiquitin' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ubiquitin 1 mM . $UBA 1 mM . 'Sodium Phosphate' 20 mM . stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '20mM Sodium Phosphate (pH 6.0)' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0 pH temperature . . . stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . 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 internal direct . . . 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_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name Ubiquitin _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 1 1 MET HA H 4.25 0.03 1 2 1 1 MET HB2 H 2.06 0.03 2 3 1 1 MET HB3 H 2.18 0.03 2 4 1 1 MET HG2 H 2.02 0.03 2 5 1 1 MET HG3 H 2.53 0.03 2 6 1 1 MET HE H 1.67 0.03 1 7 1 1 MET C C 170.50 0.20 1 8 1 1 MET CA C 54.47 0.20 1 9 1 1 MET CB C 33.31 0.20 1 10 1 1 MET CG C 30.73 0.20 1 11 1 1 MET CE C 17.68 0.20 1 12 2 2 GLN H H 8.97 0.03 1 13 2 2 GLN HA H 5.27 0.03 1 14 2 2 GLN HB2 H 1.63 0.03 2 15 2 2 GLN HB3 H 1.86 0.03 2 16 2 2 GLN HG2 H 1.89 0.03 2 17 2 2 GLN HG3 H 2.23 0.03 2 18 2 2 GLN HE21 H 7.72 0.03 2 19 2 2 GLN HE22 H 6.77 0.03 2 20 2 2 GLN C C 175.91 0.20 1 21 2 2 GLN CA C 55.09 0.20 1 22 2 2 GLN CB C 30.59 0.20 1 23 2 2 GLN CG C 34.49 0.20 1 24 2 2 GLN N N 121.86 0.30 1 25 2 2 GLN NE2 N 110.70 0.30 1 26 3 3 ILE H H 8.34 0.03 1 27 3 3 ILE HA H 4.16 0.03 1 28 3 3 ILE HB H 1.75 0.03 1 29 3 3 ILE HG12 H 0.83 0.03 2 30 3 3 ILE HG13 H 1.03 0.03 2 31 3 3 ILE HG2 H 0.62 0.03 1 32 3 3 ILE HD1 H 0.58 0.03 1 33 3 3 ILE C C 172.28 0.20 1 34 3 3 ILE CA C 59.83 0.20 1 35 3 3 ILE CB C 42.24 0.20 1 36 3 3 ILE CG1 C 25.16 0.20 1 37 3 3 ILE CG2 C 17.91 0.20 1 38 3 3 ILE CD1 C 14.23 0.20 1 39 3 3 ILE N N 114.16 0.30 1 40 4 4 PHE H H 8.60 0.03 1 41 4 4 PHE HA H 5.58 0.03 1 42 4 4 PHE HB2 H 2.86 0.03 2 43 4 4 PHE HB3 H 3.04 0.03 2 44 4 4 PHE HD1 H 7.07 0.03 3 45 4 4 PHE HE1 H 7.23 0.03 3 46 4 4 PHE HZ H 7.23 0.03 1 47 4 4 PHE C C 174.47 0.20 1 48 4 4 PHE CA C 55.24 0.20 1 49 4 4 PHE CB C 41.34 0.20 1 50 4 4 PHE N N 117.72 0.30 1 51 5 5 VAL H H 9.37 0.03 1 52 5 5 VAL HA H 4.69 0.03 1 53 5 5 VAL HB H 1.92 0.03 1 54 5 5 VAL HG1 H 0.73 0.03 2 55 5 5 VAL HG2 H 0.68 0.03 2 56 5 5 VAL C C 174.47 0.20 1 57 5 5 VAL CA C 60.59 0.20 1 58 5 5 VAL CB C 33.95 0.20 1 59 5 5 VAL CG1 C 20.80 0.20 2 60 5 5 VAL CG2 C 22.45 0.20 2 61 5 5 VAL N N 120.16 0.30 1 62 6 6 LYS H H 8.95 0.03 1 63 6 6 LYS HA H 5.36 0.03 1 64 6 6 LYS HB2 H 1.32 0.03 2 65 6 6 LYS HB3 H 1.62 0.03 2 66 6 6 LYS HG2 H 1.31 0.03 2 67 6 6 LYS HG3 H 1.56 0.03 2 68 6 6 LYS HD3 H 1.62 0.03 2 69 6 6 LYS HE3 H 2.94 0.03 2 70 6 6 LYS C C 177.16 0.20 1 71 6 6 LYS CA C 54.65 0.20 1 72 6 6 LYS CB C 35.24 0.20 1 73 6 6 LYS CG C 24.93 0.20 1 74 6 6 LYS CD C 29.38 0.20 1 75 6 6 LYS CE C 42.01 0.20 1 76 6 6 LYS N N 127.35 0.30 1 77 7 7 THR H H 8.83 0.03 1 78 7 7 THR HA H 5.11 0.03 1 79 7 7 THR HB H 4.86 0.03 1 80 7 7 THR HG2 H 1.20 0.03 1 81 7 7 THR C C 177.16 0.20 1 82 7 7 THR CA C 60.31 0.20 1 83 7 7 THR CB C 70.72 0.20 1 84 7 7 THR CG2 C 21.34 0.20 1 85 7 7 THR N N 115.08 0.30 1 86 8 8 LEU H H 9.33 0.03 1 87 8 8 LEU HA H 4.38 0.03 1 88 8 8 LEU HB2 H 1.79 0.03 2 89 8 8 LEU HB3 H 1.96 0.03 2 90 8 8 LEU HG H 1.93 0.03 1 91 8 8 LEU HD1 H 1.02 0.03 2 92 8 8 LEU HD2 H 0.94 0.03 2 93 8 8 LEU C C 178.44 0.20 1 94 8 8 LEU CA C 56.70 0.20 1 95 8 8 LEU CB C 41.55 0.20 1 96 8 8 LEU CG C 27.62 0.20 1 97 8 8 LEU CD1 C 25.66 0.20 2 98 8 8 LEU CD2 C 23.64 0.20 2 99 8 8 LEU N N 120.15 0.30 1 100 9 9 THR H H 7.73 0.03 1 101 9 9 THR HA H 4.46 0.03 1 102 9 9 THR HB H 4.61 0.03 1 103 9 9 THR HG2 H 1.26 0.03 1 104 9 9 THR C C 175.33 0.20 1 105 9 9 THR CA C 61.15 0.20 1 106 9 9 THR CB C 69.14 0.20 1 107 9 9 THR CG2 C 21.75 0.20 1 108 9 9 THR N N 105.17 0.30 1 109 10 10 GLY H H 7.80 0.03 1 110 10 10 GLY HA2 H 3.65 0.03 2 111 10 10 GLY HA3 H 4.31 0.03 2 112 10 10 GLY C C 173.97 0.20 1 113 10 10 GLY CA C 45.47 0.20 1 114 10 10 GLY N N 108.00 0.30 1 115 11 11 LYS H H 7.37 0.03 1 116 11 11 LYS HA H 4.42 0.03 1 117 11 11 LYS HB2 H 1.73 0.03 2 118 11 11 LYS HB3 H 1.81 0.03 2 119 11 11 LYS HG2 H 1.24 0.03 2 120 11 11 LYS HG3 H 1.39 0.03 2 121 11 11 LYS HD3 H 1.62 0.03 2 122 11 11 LYS HE3 H 2.91 0.03 2 123 11 11 LYS C C 175.66 0.20 1 124 11 11 LYS CA C 56.34 0.20 1 125 11 11 LYS CB C 33.60 0.20 1 126 11 11 LYS CG C 25.23 0.20 1 127 11 11 LYS CD C 29.37 0.20 1 128 11 11 LYS CE C 41.77 0.20 1 129 11 11 LYS N N 120.77 0.30 1 130 12 12 THR H H 8.65 0.03 1 131 12 12 THR HA H 5.05 0.03 1 132 12 12 THR HB H 3.93 0.03 1 133 12 12 THR HG2 H 1.07 0.03 1 134 12 12 THR C C 174.01 0.20 1 135 12 12 THR CA C 62.45 0.20 1 136 12 12 THR CB C 69.63 0.20 1 137 12 12 THR CG2 C 21.50 0.20 1 138 12 12 THR N N 119.49 0.30 1 139 13 13 ILE H H 9.60 0.03 1 140 13 13 ILE HA H 4.47 0.03 1 141 13 13 ILE HB H 1.86 0.03 1 142 13 13 ILE HG12 H 1.08 0.03 2 143 13 13 ILE HG13 H 1.46 0.03 2 144 13 13 ILE HG2 H 0.88 0.03 1 145 13 13 ILE HD1 H 0.72 0.03 1 146 13 13 ILE C C 175.19 0.20 1 147 13 13 ILE CA C 60.15 0.20 1 148 13 13 ILE CB C 40.95 0.20 1 149 13 13 ILE CG1 C 27.20 0.20 1 150 13 13 ILE CG2 C 17.82 0.20 1 151 13 13 ILE CD1 C 14.45 0.20 1 152 13 13 ILE N N 127.76 0.30 1 153 14 14 THR H H 8.79 0.03 1 154 14 14 THR HA H 4.93 0.03 1 155 14 14 THR HB H 4.04 0.03 1 156 14 14 THR HG2 H 1.13 0.03 1 157 14 14 THR C C 173.64 0.20 1 158 14 14 THR CA C 62.29 0.20 1 159 14 14 THR CB C 69.42 0.20 1 160 14 14 THR CG2 C 21.73 0.20 1 161 14 14 THR N N 121.40 0.30 1 162 15 15 LEU H H 8.74 0.03 1 163 15 15 LEU HA H 4.80 0.03 1 164 15 15 LEU HB2 H 1.20 0.03 2 165 15 15 LEU HB3 H 1.37 0.03 2 166 15 15 LEU HG H 1.27 0.03 1 167 15 15 LEU HD1 H 0.77 0.03 2 168 15 15 LEU HD2 H 0.71 0.03 2 169 15 15 LEU C C 174.47 0.20 1 170 15 15 LEU CA C 52.80 0.20 1 171 15 15 LEU CB C 46.65 0.20 1 172 15 15 LEU CG C 22.23 0.20 1 173 15 15 LEU CD1 C 23.88 0.20 2 174 15 15 LEU CD2 C 27.14 0.20 2 175 15 15 LEU N N 124.18 0.30 1 176 16 16 GLU H H 8.16 0.03 1 177 16 16 GLU HA H 4.89 0.03 1 178 16 16 GLU HB2 H 1.83 0.03 2 179 16 16 GLU HB3 H 1.91 0.03 2 180 16 16 GLU HG2 H 2.08 0.03 2 181 16 16 GLU HG3 H 2.24 0.03 2 182 16 16 GLU C C 175.79 0.20 1 183 16 16 GLU CA C 54.95 0.20 1 184 16 16 GLU CB C 29.87 0.20 1 185 16 16 GLU CG C 35.60 0.20 1 186 16 16 GLU N N 121.50 0.30 1 187 17 17 VAL H H 8.95 0.03 1 188 17 17 VAL HA H 4.72 0.03 1 189 17 17 VAL HB H 2.35 0.03 1 190 17 17 VAL HG1 H 0.71 0.03 2 191 17 17 VAL HG2 H 0.43 0.03 2 192 17 17 VAL C C 174.07 0.20 1 193 17 17 VAL CA C 58.45 0.20 1 194 17 17 VAL CB C 36.45 0.20 1 195 17 17 VAL CG1 C 22.21 0.20 2 196 17 17 VAL CG2 C 19.50 0.20 2 197 17 17 VAL N N 116.43 0.30 1 198 18 18 GLU H H 8.66 0.03 1 199 18 18 GLU HA H 4.87 0.03 1 200 18 18 GLU HB2 H 1.69 0.03 2 201 18 18 GLU HB3 H 2.18 0.03 2 202 18 18 GLU HG2 H 2.23 0.03 2 203 18 18 GLU HG3 H 2.36 0.03 2 204 18 18 GLU C C 178.12 0.20 1 205 18 18 GLU CA C 53.84 0.20 1 206 18 18 GLU CB C 32.27 0.20 1 207 18 18 GLU CG C 35.72 0.20 1 208 18 18 GLU N N 117.23 0.30 1 209 19 19 SER H H 9.29 0.03 1 210 19 19 SER HA H 3.94 0.03 1 211 19 19 SER HB3 H 3.90 0.03 2 212 19 19 SER C C 173.19 0.20 1 213 19 19 SER CA C 62.20 0.20 1 214 19 19 SER CB C 62.90 0.20 1 215 19 19 SER N N 116.76 0.30 1 216 20 20 SER H H 7.31 0.03 1 217 20 20 SER HA H 4.41 0.03 1 218 20 20 SER HB2 H 3.78 0.03 2 219 20 20 SER HB3 H 4.16 0.03 2 220 20 20 SER C C 174.61 0.20 1 221 20 20 SER CA C 57.63 0.20 1 222 20 20 SER CB C 63.48 0.20 1 223 20 20 SER N N 107.55 0.30 1 224 21 21 ASP H H 7.88 0.03 1 225 21 21 ASP HA H 4.70 0.03 1 226 21 21 ASP HB2 H 2.54 0.03 2 227 21 21 ASP HB3 H 2.98 0.03 2 228 21 21 ASP C C 176.25 0.20 1 229 21 21 ASP CA C 55.77 0.20 1 230 21 21 ASP CB C 40.95 0.20 1 231 21 21 ASP N N 122.44 0.30 1 232 22 22 THR H H 7.98 0.03 1 233 22 22 THR HA H 4.98 0.03 1 234 22 22 THR HB H 4.77 0.03 1 235 22 22 THR HG2 H 1.26 0.03 1 236 22 22 THR C C 176.73 0.20 1 237 22 22 THR CA C 59.67 0.20 1 238 22 22 THR CB C 71.40 0.20 1 239 22 22 THR CG2 C 22.05 0.20 1 240 22 22 THR N N 107.33 0.30 1 241 23 23 ILE H H 8.73 0.03 1 242 23 23 ILE HA H 3.63 0.03 1 243 23 23 ILE HB H 2.48 0.03 1 244 23 23 ILE HG12 H 1.29 0.03 2 245 23 23 ILE HG13 H 1.86 0.03 2 246 23 23 ILE HG2 H 0.78 0.03 1 247 23 23 ILE HD1 H 0.58 0.03 1 248 23 23 ILE C C 178.35 0.20 1 249 23 23 ILE CA C 62.09 0.20 1 250 23 23 ILE CB C 34.74 0.20 1 251 23 23 ILE CG1 C 27.98 0.20 1 252 23 23 ILE CG2 C 18.00 0.20 1 253 23 23 ILE CD1 C 9.46 0.20 1 254 23 23 ILE N N 120.33 0.30 1 255 24 24 ASP H H 9.48 0.03 1 256 24 24 ASP HA H 4.20 0.03 1 257 24 24 ASP HB3 H 2.62 0.03 2 258 24 24 ASP C C 178.56 0.20 1 259 24 24 ASP CA C 57.09 0.20 1 260 24 24 ASP CB C 39.98 0.20 1 261 24 24 ASP N N 117.22 0.30 1 262 25 25 ASN H H 8.03 0.03 1 263 25 25 ASN HA H 4.51 0.03 1 264 25 25 ASN HB2 H 2.90 0.03 2 265 25 25 ASN HB3 H 3.21 0.03 2 266 25 25 ASN HD21 H 7.86 0.03 2 267 25 25 ASN HD22 H 6.92 0.03 2 268 25 25 ASN C C 178.38 0.20 1 269 25 25 ASN CA C 55.99 0.20 1 270 25 25 ASN CB C 38.65 0.20 1 271 25 25 ASN N N 118.41 0.30 1 272 25 25 ASN ND2 N 108.68 0.30 1 273 26 26 VAL H H 8.14 0.03 1 274 26 26 VAL HA H 3.37 0.03 1 275 26 26 VAL HB H 2.36 0.03 1 276 26 26 VAL HG1 H 0.98 0.03 2 277 26 26 VAL HG2 H 0.69 0.03 2 278 26 26 VAL C C 177.66 0.20 1 279 26 26 VAL CA C 68.02 0.20 1 280 26 26 VAL CB C 30.75 0.20 1 281 26 26 VAL CG1 C 23.64 0.20 2 282 26 26 VAL CG2 C 21.46 0.20 2 283 26 26 VAL N N 120.94 0.30 1 284 27 27 LYS H H 8.59 0.03 1 285 27 27 LYS HA H 4.62 0.03 1 286 27 27 LYS HB2 H 1.44 0.03 2 287 27 27 LYS HB3 H 2.08 0.03 2 288 27 27 LYS HG3 H 1.58 0.03 2 289 27 27 LYS HD3 H 1.72 0.03 2 290 27 27 LYS HE3 H 2.62 0.03 2 291 27 27 LYS C C 180.91 0.20 1 292 27 27 LYS CA C 59.33 0.20 1 293 27 27 LYS CB C 33.32 0.20 1 294 27 27 LYS CG C 26.02 0.20 1 295 27 27 LYS CD C 29.89 0.20 1 296 27 27 LYS CE C 42.34 0.20 1 297 27 27 LYS N N 117.56 0.30 1 298 28 28 SER H H 8.19 0.03 1 299 28 28 SER HA H 4.21 0.03 1 300 28 28 SER HB3 H 4.13 0.03 2 301 28 28 SER C C 176.44 0.20 1 302 28 28 SER CA C 62.41 0.20 1 303 28 28 SER CB C 62.54 0.20 1 304 28 28 SER N N 116.30 0.30 1 305 29 29 LYS H H 8.04 0.03 1 306 29 29 LYS HA H 4.23 0.03 1 307 29 29 LYS HB2 H 1.93 0.03 2 308 29 29 LYS HB3 H 2.13 0.03 2 309 29 29 LYS HG2 H 1.59 0.03 2 310 29 29 LYS HG3 H 1.76 0.03 2 311 29 29 LYS HD2 H 1.44 0.03 2 312 29 29 LYS HD3 H 1.79 0.03 2 313 29 29 LYS HE2 H 2.97 0.03 2 314 29 29 LYS HE3 H 3.17 0.03 2 315 29 29 LYS C C 180.20 0.20 1 316 29 29 LYS CA C 59.90 0.20 1 317 29 29 LYS CB C 33.35 0.20 1 318 29 29 LYS CG C 26.70 0.20 1 319 29 29 LYS CD C 30.21 0.20 1 320 29 29 LYS CE C 42.33 0.20 1 321 29 29 LYS N N 122.25 0.30 1 322 30 30 ILE H H 8.33 0.03 1 323 30 30 ILE HA H 3.48 0.03 1 324 30 30 ILE HB H 2.34 0.03 1 325 30 30 ILE HG12 H 0.70 0.03 2 326 30 30 ILE HG13 H 2.03 0.03 2 327 30 30 ILE HG2 H 0.71 0.03 1 328 30 30 ILE HD1 H 0.90 0.03 1 329 30 30 ILE C C 178.14 0.20 1 330 30 30 ILE CA C 65.98 0.20 1 331 30 30 ILE CB C 36.90 0.20 1 332 30 30 ILE CG1 C 31.09 0.20 1 333 30 30 ILE CG2 C 17.18 0.20 1 334 30 30 ILE CD1 C 15.11 0.20 1 335 30 30 ILE N N 120.21 0.30 1 336 31 31 GLN H H 8.51 0.03 1 337 31 31 GLN HA H 3.83 0.03 1 338 31 31 GLN HB2 H 1.96 0.03 2 339 31 31 GLN HB3 H 2.56 0.03 2 340 31 31 GLN HG2 H 1.94 0.03 2 341 31 31 GLN HG3 H 2.30 0.03 2 342 31 31 GLN HE21 H 7.72 0.03 2 343 31 31 GLN HE22 H 6.87 0.03 2 344 31 31 GLN C C 178.91 0.20 1 345 31 31 GLN CA C 60.06 0.20 1 346 31 31 GLN CB C 27.52 0.20 1 347 31 31 GLN CG C 33.84 0.20 1 348 31 31 GLN N N 122.44 0.30 1 349 31 31 GLN NE2 N 109.36 0.30 1 350 32 32 ASP H H 8.19 0.03 1 351 32 32 ASP HA H 4.33 0.03 1 352 32 32 ASP HB2 H 2.75 0.03 2 353 32 32 ASP HB3 H 2.86 0.03 2 354 32 32 ASP C C 177.41 0.20 1 355 32 32 ASP CA C 57.17 0.20 1 356 32 32 ASP CB C 40.90 0.20 1 357 32 32 ASP N N 119.11 0.30 1 358 33 33 LYS H H 7.51 0.03 1 359 33 33 LYS HA H 4.30 0.03 1 360 33 33 LYS HB2 H 1.85 0.03 2 361 33 33 LYS HB3 H 2.03 0.03 2 362 33 33 LYS HG3 H 1.60 0.03 2 363 33 33 LYS HD3 H 1.71 0.03 2 364 33 33 LYS HE2 H 3.12 0.03 2 365 33 33 LYS HE3 H 3.18 0.03 2 366 33 33 LYS C C 177.81 0.20 1 367 33 33 LYS CA C 58.48 0.20 1 368 33 33 LYS CB C 34.12 0.20 1 369 33 33 LYS CG C 25.52 0.20 1 370 33 33 LYS CD C 29.05 0.20 1 371 33 33 LYS CE C 42.05 0.20 1 372 33 33 LYS N N 114.69 0.30 1 373 34 34 GLU H H 8.73 0.03 1 374 34 34 GLU HA H 4.58 0.03 1 375 34 34 GLU HB2 H 1.67 0.03 2 376 34 34 GLU HB3 H 2.30 0.03 2 377 34 34 GLU HG2 H 2.08 0.03 2 378 34 34 GLU HG3 H 2.16 0.03 2 379 34 34 GLU C C 177.91 0.20 1 380 34 34 GLU CA C 55.02 0.20 1 381 34 34 GLU CB C 33.42 0.20 1 382 34 34 GLU CG C 36.20 0.20 1 383 34 34 GLU N N 112.83 0.30 1 384 35 35 GLY H H 8.56 0.03 1 385 35 35 GLY HA2 H 3.92 0.03 2 386 35 35 GLY HA3 H 4.14 0.03 2 387 35 35 GLY C C 173.91 0.20 1 388 35 35 GLY CA C 46.05 0.20 1 389 35 35 GLY N N 107.95 0.30 1 390 36 36 ILE H H 6.16 0.03 1 391 36 36 ILE HA H 4.42 0.03 1 392 36 36 ILE HB H 1.41 0.03 1 393 36 36 ILE HG12 H 1.10 0.03 2 394 36 36 ILE HG13 H 1.38 0.03 2 395 36 36 ILE HG2 H 0.94 0.03 1 396 36 36 ILE HD1 H 0.78 0.03 1 397 36 36 ILE CA C 58.16 0.20 1 398 36 36 ILE CB C 40.62 0.20 1 399 36 36 ILE CG1 C 27.00 0.20 1 400 36 36 ILE CG2 C 18.02 0.20 1 401 36 36 ILE CD1 C 13.62 0.20 1 402 36 36 ILE N N 119.37 0.30 1 403 37 37 PRO HA H 4.63 0.03 1 404 37 37 PRO HB2 H 1.97 0.03 2 405 37 37 PRO HB3 H 2.42 0.03 2 406 37 37 PRO HG2 H 2.04 0.03 2 407 37 37 PRO HG3 H 2.11 0.03 2 408 37 37 PRO HD2 H 3.57 0.03 2 409 37 37 PRO HD3 H 4.20 0.03 2 410 37 37 PRO CA C 61.66 0.20 1 411 37 37 PRO CB C 31.95 0.20 1 412 37 37 PRO CG C 28.25 0.20 1 413 37 37 PRO CD C 51.20 0.20 1 414 38 38 PRO HA H 4.12 0.03 1 415 38 38 PRO HB2 H 2.02 0.03 2 416 38 38 PRO HB3 H 2.26 0.03 2 417 38 38 PRO HG2 H 1.62 0.03 2 418 38 38 PRO HG3 H 2.18 0.03 2 419 38 38 PRO HD3 H 3.77 0.03 2 420 38 38 PRO C C 178.19 0.20 1 421 38 38 PRO CA C 66.23 0.20 1 422 38 38 PRO CB C 32.91 0.20 1 423 38 38 PRO CG C 27.77 0.20 1 424 38 38 PRO CD C 51.41 0.20 1 425 39 39 ASP H H 8.54 0.03 1 426 39 39 ASP HA H 4.41 0.03 1 427 39 39 ASP HB2 H 2.68 0.03 2 428 39 39 ASP HB3 H 2.77 0.03 2 429 39 39 ASP C C 177.12 0.20 1 430 39 39 ASP CA C 55.80 0.20 1 431 39 39 ASP CB C 39.85 0.20 1 432 39 39 ASP N N 112.24 0.30 1 433 40 40 GLN H H 7.82 0.03 1 434 40 40 GLN HA H 4.41 0.03 1 435 40 40 GLN HB2 H 1.86 0.03 2 436 40 40 GLN HB3 H 2.45 0.03 2 437 40 40 GLN HG3 H 2.43 0.03 2 438 40 40 GLN HE21 H 7.64 0.03 2 439 40 40 GLN HE22 H 6.74 0.03 2 440 40 40 GLN C C 175.22 0.20 1 441 40 40 GLN CA C 55.62 0.20 1 442 40 40 GLN CB C 30.32 0.20 1 443 40 40 GLN CG C 34.41 0.20 1 444 40 40 GLN N N 115.94 0.30 1 445 40 40 GLN NE2 N 109.96 0.30 1 446 41 41 GLN H H 7.47 0.03 1 447 41 41 GLN HA H 4.13 0.03 1 448 41 41 GLN HB2 H 1.81 0.03 2 449 41 41 GLN HB3 H 1.97 0.03 2 450 41 41 GLN HG2 H 1.66 0.03 2 451 41 41 GLN HG3 H 2.56 0.03 2 452 41 41 GLN HE21 H 6.47 0.03 2 453 41 41 GLN HE22 H 6.11 0.03 2 454 41 41 GLN C C 176.28 0.20 1 455 41 41 GLN CA C 56.76 0.20 1 456 41 41 GLN CB C 31.46 0.20 1 457 41 41 GLN CG C 33.53 0.20 1 458 41 41 GLN N N 116.39 0.30 1 459 41 41 GLN NE2 N 102.78 0.30 1 460 42 42 ARG H H 8.55 0.03 1 461 42 42 ARG HA H 4.57 0.03 1 462 42 42 ARG HB2 H 1.58 0.03 2 463 42 42 ARG HB3 H 1.82 0.03 2 464 42 42 ARG HG2 H 1.43 0.03 2 465 42 42 ARG HG3 H 1.60 0.03 2 466 42 42 ARG HD2 H 2.95 0.03 2 467 42 42 ARG HD3 H 3.06 0.03 2 468 42 42 ARG C C 174.03 0.20 1 469 42 42 ARG CA C 55.24 0.20 1 470 42 42 ARG CB C 31.82 0.20 1 471 42 42 ARG CG C 26.64 0.20 1 472 42 42 ARG CD C 44.27 0.20 1 473 42 42 ARG N N 120.65 0.30 1 474 43 43 LEU H H 8.80 0.03 1 475 43 43 LEU HA H 5.42 0.03 1 476 43 43 LEU HB2 H 1.18 0.03 2 477 43 43 LEU HB3 H 1.60 0.03 2 478 43 43 LEU HG H 1.51 0.03 1 479 43 43 LEU HD1 H 0.81 0.03 2 480 43 43 LEU HD2 H 0.77 0.03 2 481 43 43 LEU C C 175.69 0.20 1 482 43 43 LEU CA C 53.04 0.20 1 483 43 43 LEU CB C 45.95 0.20 1 484 43 43 LEU CG C 26.37 0.20 1 485 43 43 LEU CD1 C 24.34 0.20 2 486 43 43 LEU CD2 C 26.73 0.20 2 487 43 43 LEU N N 122.27 0.30 1 488 44 44 ILE H H 9.20 0.03 1 489 44 44 ILE HA H 5.01 0.03 1 490 44 44 ILE HB H 1.70 0.03 1 491 44 44 ILE HG12 H 0.96 0.03 2 492 44 44 ILE HG13 H 1.44 0.03 2 493 44 44 ILE HG2 H 0.71 0.03 1 494 44 44 ILE HD1 H 0.82 0.03 1 495 44 44 ILE C C 175.82 0.20 1 496 44 44 ILE CA C 59.55 0.20 1 497 44 44 ILE CB C 42.09 0.20 1 498 44 44 ILE CG1 C 28.41 0.20 1 499 44 44 ILE CG2 C 17.95 0.20 1 500 44 44 ILE CD1 C 14.84 0.20 1 501 44 44 ILE N N 120.50 0.30 1 502 45 45 PHE H H 8.70 0.03 1 503 45 45 PHE HA H 4.97 0.03 1 504 45 45 PHE HB2 H 2.80 0.03 2 505 45 45 PHE HB3 H 3.11 0.03 2 506 45 45 PHE HD1 H 7.39 0.03 3 507 45 45 PHE HE1 H 7.53 0.03 3 508 45 45 PHE HZ H 7.46 0.03 1 509 45 45 PHE C C 174.50 0.20 1 510 45 45 PHE CA C 57.38 0.20 1 511 45 45 PHE CB C 44.15 0.20 1 512 45 45 PHE N N 123.59 0.30 1 513 46 46 ALA H H 8.83 0.03 1 514 46 46 ALA HA H 3.63 0.03 1 515 46 46 ALA HB H 0.95 0.03 1 516 46 46 ALA C C 177.10 0.20 1 517 46 46 ALA CA C 52.81 0.20 1 518 46 46 ALA CB C 16.70 0.20 1 519 46 46 ALA N N 104.64 0.30 1 520 47 47 GLY H H 8.09 0.03 1 521 47 47 GLY HA3 H 3.59 0.03 2 522 47 47 GLY C C 172.56 0.20 1 523 47 47 GLY CA C 45.02 0.20 1 524 47 47 GLY N N 127.24 0.30 1 525 48 48 LYS H H 7.65 0.03 1 526 48 48 LYS HA H 4.62 0.03 1 527 48 48 LYS HB3 H 1.86 0.03 2 528 48 48 LYS HG3 H 1.51 0.03 2 529 48 48 LYS HD3 H 1.85 0.03 2 530 48 48 LYS HE3 H 3.15 0.03 2 531 48 48 LYS C C 174.50 0.20 1 532 48 48 LYS CA C 54.16 0.20 1 533 48 48 LYS CB C 35.16 0.20 1 534 48 48 LYS CG C 24.16 0.20 1 535 48 48 LYS CD C 28.93 0.20 1 536 48 48 LYS CE C 42.16 0.20 1 537 48 48 LYS N N 117.78 0.30 1 538 49 49 GLN H H 8.74 0.03 1 539 49 49 GLN HA H 4.67 0.03 1 540 49 49 GLN HB3 H 2.02 0.03 2 541 49 49 GLN HG2 H 2.25 0.03 2 542 49 49 GLN HG3 H 2.31 0.03 2 543 49 49 GLN HE21 H 7.76 0.03 2 544 49 49 GLN HE22 H 7.08 0.03 2 545 49 49 GLN C C 175.48 0.20 1 546 49 49 GLN CA C 55.35 0.20 1 547 49 49 GLN CB C 29.50 0.20 1 548 49 49 GLN CG C 35.02 0.20 1 549 49 49 GLN N N 119.89 0.30 1 550 49 49 GLN NE2 N 111.43 0.30 1 551 50 50 LEU H H 8.58 0.03 1 552 50 50 LEU HA H 4.08 0.03 1 553 50 50 LEU HB2 H 0.99 0.03 2 554 50 50 LEU HB3 H 1.48 0.03 2 555 50 50 LEU HG H 1.43 0.03 1 556 50 50 LEU HD1 H 0.53 0.03 2 557 50 50 LEU HD2 H -0.14 0.03 2 558 50 50 LEU C C 176.33 0.20 1 559 50 50 LEU CA C 54.09 0.20 1 560 50 50 LEU CB C 41.40 0.20 1 561 50 50 LEU CG C 25.96 0.20 1 562 50 50 LEU CD1 C 26.16 0.20 2 563 50 50 LEU CD2 C 19.77 0.20 2 564 50 50 LEU N N 124.91 0.30 1 565 51 51 GLU H H 8.44 0.03 1 566 51 51 GLU HA H 4.43 0.03 1 567 51 51 GLU HB2 H 1.99 0.03 2 568 51 51 GLU HB3 H 2.23 0.03 2 569 51 51 GLU HG2 H 2.35 0.03 2 570 51 51 GLU HG3 H 2.44 0.03 2 571 51 51 GLU C C 175.69 0.20 1 572 51 51 GLU CA C 56.33 0.20 1 573 51 51 GLU CB C 31.71 0.20 1 574 51 51 GLU CG C 36.66 0.20 1 575 51 51 GLU N N 122.47 0.30 1 576 52 52 ASP H H 8.11 0.03 1 577 52 52 ASP HA H 4.32 0.03 1 578 52 52 ASP HB2 H 2.49 0.03 2 579 52 52 ASP HB3 H 2.79 0.03 2 580 52 52 ASP CA C 56.84 0.20 1 581 52 52 ASP CB C 40.90 0.20 1 582 52 52 ASP N N 119.30 0.30 1 583 53 53 GLY HA3 H 4.02 0.03 2 584 53 53 GLY C C 174.75 0.20 1 585 53 53 GLY CA C 45.29 0.20 1 586 54 54 ARG H H 7.48 0.03 1 587 54 54 ARG HA H 4.70 0.03 1 588 54 54 ARG HB2 H 2.12 0.03 2 589 54 54 ARG HB3 H 2.23 0.03 2 590 54 54 ARG HG2 H 1.62 0.03 2 591 54 54 ARG HG3 H 1.85 0.03 2 592 54 54 ARG HD2 H 3.09 0.03 2 593 54 54 ARG HD3 H 3.16 0.03 2 594 54 54 ARG C C 175.38 0.20 1 595 54 54 ARG CA C 54.38 0.20 1 596 54 54 ARG CB C 32.45 0.20 1 597 54 54 ARG CG C 27.62 0.20 1 598 54 54 ARG CD C 42.56 0.20 1 599 54 54 ARG N N 118.23 0.30 1 600 55 55 THR H H 8.85 0.03 1 601 55 55 THR HA H 5.22 0.03 1 602 55 55 THR HB H 4.50 0.03 1 603 55 55 THR HG2 H 1.14 0.03 1 604 55 55 THR C C 176.42 0.20 1 605 55 55 THR CA C 59.87 0.20 1 606 55 55 THR CB C 72.42 0.20 1 607 55 55 THR CG2 C 21.87 0.20 1 608 55 55 THR N N 107.80 0.30 1 609 56 56 LEU H H 8.17 0.03 1 610 56 56 LEU HA H 4.06 0.03 1 611 56 56 LEU HB2 H 1.24 0.03 2 612 56 56 LEU HB3 H 2.08 0.03 2 613 56 56 LEU HG H 1.70 0.03 1 614 56 56 LEU HD1 H 0.75 0.03 2 615 56 56 LEU HD2 H 0.62 0.03 2 616 56 56 LEU C C 180.67 0.20 1 617 56 56 LEU CA C 58.88 0.20 1 618 56 56 LEU CB C 40.29 0.20 1 619 56 56 LEU CG C 27.00 0.20 1 620 56 56 LEU CD1 C 26.64 0.20 2 621 56 56 LEU CD2 C 23.30 0.20 2 622 56 56 LEU N N 117.11 0.30 1 623 57 57 SER H H 8.30 0.03 1 624 57 57 SER HA H 4.26 0.03 1 625 57 57 SER HB2 H 3.77 0.03 2 626 57 57 SER HB3 H 3.87 0.03 2 627 57 57 SER C C 178.26 0.20 1 628 57 57 SER CA C 61.05 0.20 1 629 57 57 SER CB C 62.66 0.20 1 630 57 57 SER N N 112.04 0.30 1 631 58 58 ASP H H 7.94 0.03 1 632 58 58 ASP HA H 4.29 0.03 1 633 58 58 ASP HB2 H 2.26 0.03 2 634 58 58 ASP HB3 H 3.00 0.03 2 635 58 58 ASP C C 177.28 0.20 1 636 58 58 ASP CA C 57.47 0.20 1 637 58 58 ASP CB C 40.35 0.20 1 638 58 58 ASP N N 123.14 0.30 1 639 59 59 TYR H H 7.25 0.03 1 640 59 59 TYR HA H 4.67 0.03 1 641 59 59 TYR HB2 H 2.51 0.03 2 642 59 59 TYR HB3 H 3.46 0.03 2 643 59 59 TYR HD1 H 7.24 0.03 3 644 59 59 TYR HE1 H 6.87 0.03 3 645 59 59 TYR C C 174.53 0.20 1 646 59 59 TYR CA C 58.31 0.20 1 647 59 59 TYR CB C 40.12 0.20 1 648 59 59 TYR N N 114.47 0.30 1 649 60 60 ASN H H 8.16 0.03 1 650 60 60 ASN HA H 4.34 0.03 1 651 60 60 ASN HB2 H 2.79 0.03 2 652 60 60 ASN HB3 H 3.30 0.03 2 653 60 60 ASN HD21 H 7.59 0.03 2 654 60 60 ASN HD22 H 6.83 0.03 2 655 60 60 ASN C C 174.28 0.20 1 656 60 60 ASN CA C 54.19 0.20 1 657 60 60 ASN CB C 37.41 0.20 1 658 60 60 ASN N N 115.00 0.30 1 659 60 60 ASN ND2 N 110.51 0.30 1 660 61 61 ILE H H 7.28 0.03 1 661 61 61 ILE HA H 3.43 0.03 1 662 61 61 ILE HB H 1.42 0.03 1 663 61 61 ILE HG12 H -0.16 0.03 2 664 61 61 ILE HG13 H 1.12 0.03 2 665 61 61 ILE HG2 H 0.49 0.03 1 666 61 61 ILE HD1 H 0.38 0.03 1 667 61 61 ILE C C 174.67 0.20 1 668 61 61 ILE CA C 62.31 0.20 1 669 61 61 ILE CB C 36.74 0.20 1 670 61 61 ILE CG1 C 28.25 0.20 1 671 61 61 ILE CG2 C 17.41 0.20 1 672 61 61 ILE CD1 C 14.04 0.20 1 673 61 61 ILE N N 117.53 0.30 1 674 62 62 GLN H H 7.73 0.03 1 675 62 62 GLN HA H 4.48 0.03 1 676 62 62 GLN HB2 H 1.89 0.03 2 677 62 62 GLN HB3 H 2.25 0.03 2 678 62 62 GLN HG2 H 2.31 0.03 2 679 62 62 GLN HG3 H 2.36 0.03 2 680 62 62 GLN HE21 H 7.30 0.03 2 681 62 62 GLN HE22 H 6.84 0.03 2 682 62 62 GLN C C 175.66 0.20 1 683 62 62 GLN CA C 53.72 0.20 1 684 62 62 GLN CB C 31.75 0.20 1 685 62 62 GLN CG C 33.46 0.20 1 686 62 62 GLN N N 124.01 0.30 1 687 62 62 GLN NE2 N 111.30 0.30 1 688 63 63 LYS H H 8.48 0.03 1 689 63 63 LYS HA H 3.98 0.03 1 690 63 63 LYS HB2 H 1.89 0.03 2 691 63 63 LYS HB3 H 2.05 0.03 2 692 63 63 LYS HG3 H 1.50 0.03 2 693 63 63 LYS HD3 H 1.75 0.03 2 694 63 63 LYS HE3 H 3.03 0.03 2 695 63 63 LYS C C 175.64 0.20 1 696 63 63 LYS CA C 57.95 0.20 1 697 63 63 LYS CB C 32.63 0.20 1 698 63 63 LYS CG C 24.07 0.20 1 699 63 63 LYS CD C 29.68 0.20 1 700 63 63 LYS CE C 41.98 0.20 1 701 63 63 LYS N N 119.39 0.30 1 702 64 64 GLU H H 9.31 0.03 1 703 64 64 GLU HA H 3.37 0.03 1 704 64 64 GLU HB2 H 2.40 0.03 2 705 64 64 GLU HB3 H 2.54 0.03 2 706 64 64 GLU HG3 H 2.25 0.03 2 707 64 64 GLU C C 175.14 0.20 1 708 64 64 GLU CA C 58.24 0.20 1 709 64 64 GLU CB C 26.12 0.20 1 710 64 64 GLU CG C 37.38 0.20 1 711 64 64 GLU N N 113.69 0.30 1 712 65 65 SER H H 7.69 0.03 1 713 65 65 SER HA H 4.63 0.03 1 714 65 65 SER HB2 H 3.63 0.03 2 715 65 65 SER HB3 H 3.86 0.03 2 716 65 65 SER HG H 5.95 0.03 1 717 65 65 SER C C 171.95 0.20 1 718 65 65 SER CA C 60.95 0.20 1 719 65 65 SER CB C 64.99 0.20 1 720 65 65 SER N N 113.77 0.30 1 721 66 66 THR H H 8.74 0.03 1 722 66 66 THR HA H 5.25 0.03 1 723 66 66 THR HB H 4.06 0.03 1 724 66 66 THR HG2 H 0.87 0.03 1 725 66 66 THR C C 173.72 0.20 1 726 66 66 THR CA C 62.44 0.20 1 727 66 66 THR CB C 70.13 0.20 1 728 66 66 THR CG2 C 21.41 0.20 1 729 66 66 THR N N 116.54 0.30 1 730 67 67 LEU H H 9.40 0.03 1 731 67 67 LEU HA H 5.09 0.03 1 732 67 67 LEU HB3 H 1.64 0.03 2 733 67 67 LEU HG H 1.76 0.03 1 734 67 67 LEU HD1 H 0.69 0.03 2 735 67 67 LEU HD2 H 0.64 0.03 2 736 67 67 LEU C C 175.44 0.20 1 737 67 67 LEU CA C 53.65 0.20 1 738 67 67 LEU CB C 44.37 0.20 1 739 67 67 LEU CG C 29.41 0.20 1 740 67 67 LEU CD1 C 24.91 0.20 2 741 67 67 LEU CD2 C 25.11 0.20 2 742 67 67 LEU N N 126.16 0.30 1 743 68 68 HIS H H 9.09 0.03 1 744 68 68 HIS HA H 5.35 0.03 1 745 68 68 HIS HB2 H 2.98 0.03 2 746 68 68 HIS HB3 H 3.16 0.03 2 747 68 68 HIS HD2 H 7.17 0.03 1 748 68 68 HIS HE1 H 8.26 0.03 1 749 68 68 HIS C C 173.47 0.20 1 750 68 68 HIS CA C 55.55 0.20 1 751 68 68 HIS CB C 31.91 0.20 1 752 68 68 HIS N N 117.44 0.30 1 753 69 69 LEU H H 8.40 0.03 1 754 69 69 LEU HA H 5.22 0.03 1 755 69 69 LEU HB2 H 1.08 0.03 2 756 69 69 LEU HB3 H 1.51 0.03 2 757 69 69 LEU HG H 1.31 0.03 1 758 69 69 LEU HD1 H 0.85 0.03 2 759 69 69 LEU HD2 H 0.71 0.03 2 760 69 69 LEU C C 174.72 0.20 1 761 69 69 LEU CA C 53.80 0.20 1 762 69 69 LEU CB C 44.92 0.20 1 763 69 69 LEU CG C 27.61 0.20 1 764 69 69 LEU CD1 C 23.89 0.20 2 765 69 69 LEU CD2 C 26.21 0.20 2 766 69 69 LEU N N 123.17 0.30 1 767 70 70 VAL H H 9.17 0.03 1 768 70 70 VAL HA H 4.41 0.03 1 769 70 70 VAL HB H 2.01 0.03 1 770 70 70 VAL HG1 H 0.94 0.03 2 771 70 70 VAL HG2 H 0.94 0.03 2 772 70 70 VAL C C 175.72 0.20 1 773 70 70 VAL CA C 60.47 0.20 1 774 70 70 VAL CB C 35.19 0.20 1 775 70 70 VAL CG1 C 21.30 0.20 1 776 70 70 VAL CG2 C 21.30 0.20 1 777 70 70 VAL N N 125.68 0.30 1 778 71 71 LEU H H 8.27 0.03 1 779 71 71 LEU HA H 5.14 0.03 1 780 71 71 LEU HB2 H 1.51 0.03 2 781 71 71 LEU HB3 H 1.77 0.03 2 782 71 71 LEU HG H 1.72 0.03 1 783 71 71 LEU HD1 H 0.97 0.03 2 784 71 71 LEU HD2 H 0.84 0.03 2 785 71 71 LEU C C 177.91 0.20 1 786 71 71 LEU CA C 53.59 0.20 1 787 71 71 LEU CB C 42.34 0.20 1 788 71 71 LEU CG C 27.93 0.20 1 789 71 71 LEU CD1 C 25.11 0.20 2 790 71 71 LEU CD2 C 23.95 0.20 2 791 71 71 LEU N N 122.64 0.30 1 792 72 72 ARG H H 8.55 0.03 1 793 72 72 ARG HA H 4.30 0.03 1 794 72 72 ARG HB2 H 1.59 0.03 2 795 72 72 ARG HB3 H 1.78 0.03 2 796 72 72 ARG HG3 H 1.56 0.03 2 797 72 72 ARG HD3 H 3.18 0.03 2 798 72 72 ARG C C 173.64 0.20 1 799 72 72 ARG CA C 56.02 0.20 1 800 72 72 ARG CB C 31.37 0.20 1 801 72 72 ARG CG C 27.75 0.20 1 802 72 72 ARG CD C 43.42 0.20 1 803 72 72 ARG N N 121.09 0.30 1 804 73 73 LEU H H 8.68 0.03 1 805 73 73 LEU HA H 4.36 0.03 1 806 73 73 LEU HB2 H 1.55 0.03 2 807 73 73 LEU HB3 H 1.61 0.03 2 808 73 73 LEU HG H 1.62 0.03 1 809 73 73 LEU HD1 H 0.93 0.03 2 810 73 73 LEU HD2 H 0.86 0.03 2 811 73 73 LEU C C 177.41 0.20 1 812 73 73 LEU CA C 55.05 0.20 1 813 73 73 LEU CB C 42.42 0.20 1 814 73 73 LEU CG C 27.16 0.20 1 815 73 73 LEU CD1 C 25.05 0.20 2 816 73 73 LEU CD2 C 23.09 0.20 2 817 73 73 LEU N N 124.08 0.30 1 818 74 74 ARG H H 8.47 0.03 1 819 74 74 ARG HA H 4.35 0.03 1 820 74 74 ARG HB2 H 1.88 0.03 2 821 74 74 ARG HB3 H 1.80 0.03 2 822 74 74 ARG HG3 H 1.64 0.03 2 823 74 74 ARG HD3 H 3.21 0.03 2 824 74 74 ARG C C 176.69 0.20 1 825 74 74 ARG CA C 55.65 0.20 1 826 74 74 ARG CB C 30.96 0.20 1 827 74 74 ARG CG C 27.11 0.20 1 828 74 74 ARG CD C 43.35 0.20 1 829 74 74 ARG N N 121.09 0.30 1 830 75 75 GLY H H 8.47 0.03 1 831 75 75 GLY HA2 H 3.78 0.03 2 832 75 75 GLY HA3 H 3.76 0.03 2 833 75 75 GLY C C 173.60 0.20 1 834 75 75 GLY CA C 45.51 0.20 1 835 75 75 GLY N N 109.66 0.30 1 836 76 76 GLY H H 7.97 0.03 1 837 76 76 GLY HA3 H 3.94 0.03 2 838 76 76 GLY CA C 45.26 0.20 1 839 76 76 GLY N N 114.01 0.30 1 stop_ save_ save_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Ede1 UBA' _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 1339 1 THR HA H 3.94 0.03 1 2 1339 1 THR HB H 4.09 0.03 1 3 1339 1 THR HG2 H 1.30 0.03 1 4 1339 1 THR CA C 61.29 0.20 1 5 1339 1 THR CB C 68.99 0.20 1 6 1340 2 THR HA H 4.72 0.03 1 7 1340 2 THR HB H 4.33 0.03 1 8 1340 2 THR HG2 H 1.29 0.03 1 9 1340 2 THR CA C 60.05 0.20 1 10 1340 2 THR CB C 69.89 0.20 1 11 1340 2 THR CG2 C 21.55 0.20 1 12 1341 3 PRO HA H 4.33 0.03 1 13 1341 3 PRO HB2 H 1.90 0.03 2 14 1341 3 PRO HB3 H 2.40 0.03 2 15 1341 3 PRO HG2 H 2.02 0.03 2 16 1341 3 PRO HG3 H 2.13 0.03 2 17 1341 3 PRO HD2 H 3.80 0.03 2 18 1341 3 PRO HD3 H 3.95 0.03 2 19 1341 3 PRO C C 178.44 0.20 1 20 1341 3 PRO CA C 64.27 0.20 1 21 1341 3 PRO CB C 32.16 0.20 1 22 1341 3 PRO CG C 27.80 0.20 1 23 1341 3 PRO CD C 50.95 0.20 1 24 1342 4 LYS H H 8.07 0.03 1 25 1342 4 LYS HA H 4.05 0.03 1 26 1342 4 LYS HB2 H 1.42 0.03 2 27 1342 4 LYS HB3 H 1.47 0.03 2 28 1342 4 LYS HG2 H 0.34 0.03 2 29 1342 4 LYS HG3 H 1.16 0.03 2 30 1342 4 LYS HD2 H 0.68 0.03 2 31 1342 4 LYS HD3 H 1.12 0.03 2 32 1342 4 LYS HE2 H 2.01 0.03 2 33 1342 4 LYS HE3 H 2.16 0.03 2 34 1342 4 LYS C C 178.16 0.20 1 35 1342 4 LYS CA C 59.48 0.20 1 36 1342 4 LYS CB C 32.66 0.20 1 37 1342 4 LYS CG C 25.68 0.20 1 38 1342 4 LYS CD C 29.05 0.20 1 39 1342 4 LYS CE C 41.35 0.20 1 40 1342 4 LYS N N 118.95 0.30 1 41 1343 5 SER H H 8.16 0.03 1 42 1343 5 SER HA H 4.23 0.03 1 43 1343 5 SER HB2 H 3.90 0.03 2 44 1343 5 SER HB3 H 4.01 0.03 2 45 1343 5 SER C C 176.88 0.20 1 46 1343 5 SER CA C 60.91 0.20 1 47 1343 5 SER CB C 62.30 0.20 1 48 1343 5 SER N N 113.84 0.30 1 49 1344 6 LEU H H 7.93 0.03 1 50 1344 6 LEU HA H 4.25 0.03 1 51 1344 6 LEU HB2 H 1.70 0.03 2 52 1344 6 LEU HB3 H 1.73 0.03 2 53 1344 6 LEU HG H 1.68 0.03 1 54 1344 6 LEU HD1 H 0.92 0.03 2 55 1344 6 LEU HD2 H 0.91 0.03 2 56 1344 6 LEU C C 178.81 0.20 1 57 1344 6 LEU CA C 57.17 0.20 1 58 1344 6 LEU CB C 41.79 0.20 1 59 1344 6 LEU CG C 27.11 0.20 1 60 1344 6 LEU CD1 C 24.71 0.20 2 61 1344 6 LEU CD2 C 23.75 0.20 2 62 1344 6 LEU N N 122.65 0.30 1 63 1345 7 ALA H H 7.93 0.03 1 64 1345 7 ALA HA H 4.20 0.03 1 65 1345 7 ALA HB H 1.74 0.03 1 66 1345 7 ALA C C 178.98 0.20 1 67 1345 7 ALA CA C 55.41 0.20 1 68 1345 7 ALA CB C 18.84 0.20 1 69 1345 7 ALA N N 121.39 0.30 1 70 1346 8 VAL H H 7.81 0.03 1 71 1346 8 VAL HA H 3.34 0.03 1 72 1346 8 VAL HB H 2.26 0.03 1 73 1346 8 VAL HG1 H 1.15 0.03 2 74 1346 8 VAL HG2 H 1.04 0.03 2 75 1346 8 VAL C C 178.47 0.20 1 76 1346 8 VAL CA C 66.86 0.20 1 77 1346 8 VAL CB C 31.71 0.20 1 78 1346 8 VAL CG1 C 23.46 0.20 2 79 1346 8 VAL CG2 C 21.68 0.20 2 80 1346 8 VAL N N 115.46 0.30 1 81 1347 9 GLU H H 8.06 0.03 1 82 1347 9 GLU HA H 4.05 0.03 1 83 1347 9 GLU HB2 H 2.06 0.03 2 84 1347 9 GLU HB3 H 2.22 0.03 2 85 1347 9 GLU HG2 H 2.15 0.03 2 86 1347 9 GLU HG3 H 2.43 0.03 2 87 1347 9 GLU C C 179.70 0.20 1 88 1347 9 GLU CA C 59.38 0.20 1 89 1347 9 GLU CB C 29.41 0.20 1 90 1347 9 GLU CG C 36.27 0.20 1 91 1347 9 GLU N N 119.32 0.30 1 92 1348 10 GLU H H 8.42 0.03 1 93 1348 10 GLU HA H 4.08 0.03 1 94 1348 10 GLU HB2 H 2.06 0.03 2 95 1348 10 GLU HB3 H 2.26 0.03 2 96 1348 10 GLU HG3 H 2.34 0.03 2 97 1348 10 GLU C C 179.28 0.20 1 98 1348 10 GLU CA C 59.05 0.20 1 99 1348 10 GLU CB C 29.05 0.20 1 100 1348 10 GLU CG C 35.23 0.20 1 101 1348 10 GLU N N 120.00 0.30 1 102 1349 11 LEU H H 7.88 0.03 1 103 1349 11 LEU HA H 4.32 0.03 1 104 1349 11 LEU HB2 H 1.45 0.03 2 105 1349 11 LEU HB3 H 1.70 0.03 2 106 1349 11 LEU HG H 1.60 0.03 1 107 1349 11 LEU HD1 H 0.77 0.03 2 108 1349 11 LEU HD2 H 0.75 0.03 2 109 1349 11 LEU C C 179.94 0.20 1 110 1349 11 LEU CA C 58.88 0.20 1 111 1349 11 LEU CB C 42.06 0.20 1 112 1349 11 LEU CG C 27.68 0.20 1 113 1349 11 LEU CD1 C 25.30 0.20 2 114 1349 11 LEU CD2 C 24.95 0.20 2 115 1349 11 LEU N N 117.89 0.30 1 116 1350 12 SER H H 8.86 0.03 1 117 1350 12 SER HA H 4.75 0.03 1 118 1350 12 SER HB2 H 3.84 0.03 2 119 1350 12 SER HB3 H 4.00 0.03 2 120 1350 12 SER C C 179.10 0.20 1 121 1350 12 SER CA C 60.90 0.20 1 122 1350 12 SER CB C 62.62 0.20 1 123 1350 12 SER N N 115.01 0.30 1 124 1351 13 GLY H H 8.19 0.03 1 125 1351 13 GLY HA2 H 3.96 0.03 2 126 1351 13 GLY HA3 H 4.00 0.03 2 127 1351 13 GLY C C 175.03 0.20 1 128 1351 13 GLY CA C 46.26 0.20 1 129 1351 13 GLY N N 109.35 0.30 1 130 1352 14 MET H H 7.42 0.03 1 131 1352 14 MET HA H 4.30 0.03 1 132 1352 14 MET HB2 H 1.90 0.03 2 133 1352 14 MET HB3 H 2.33 0.03 2 134 1352 14 MET HG3 H 2.59 0.03 2 135 1352 14 MET HE H 2.03 0.03 1 136 1352 14 MET C C 175.25 0.20 1 137 1352 14 MET CA C 57.91 0.20 1 138 1352 14 MET CB C 33.43 0.20 1 139 1352 14 MET CG C 32.34 0.20 1 140 1352 14 MET CE C 18.00 0.20 1 141 1352 14 MET N N 116.43 0.30 1 142 1353 15 GLY H H 7.82 0.03 1 143 1353 15 GLY HA2 H 3.52 0.03 2 144 1353 15 GLY HA3 H 3.79 0.03 2 145 1353 15 GLY C C 173.35 0.20 1 146 1353 15 GLY CA C 44.67 0.20 1 147 1353 15 GLY N N 103.29 0.30 1 148 1354 16 PHE H H 7.15 0.03 1 149 1354 16 PHE HA H 4.87 0.03 1 150 1354 16 PHE HB2 H 2.33 0.03 2 151 1354 16 PHE HB3 H 3.30 0.03 2 152 1354 16 PHE HD1 H 7.37 0.03 3 153 1354 16 PHE HE1 H 7.19 0.03 3 154 1354 16 PHE HZ H 6.90 0.03 1 155 1354 16 PHE C C 175.64 0.20 1 156 1354 16 PHE CA C 57.42 0.20 1 157 1354 16 PHE CB C 40.30 0.20 1 158 1354 16 PHE N N 118.01 0.30 1 159 1355 17 THR H H 9.66 0.03 1 160 1355 17 THR HA H 4.40 0.03 1 161 1355 17 THR HB H 4.77 0.03 1 162 1355 17 THR HG2 H 1.41 0.03 1 163 1355 17 THR C C 175.32 0.20 1 164 1355 17 THR CA C 61.34 0.20 1 165 1355 17 THR CB C 70.53 0.20 1 166 1355 17 THR CG2 C 21.95 0.20 1 167 1355 17 THR N N 112.62 0.30 1 168 1356 18 GLU H H 8.98 0.03 1 169 1356 18 GLU HA H 3.84 0.03 1 170 1356 18 GLU HB2 H 2.05 0.03 2 171 1356 18 GLU HB3 H 2.10 0.03 2 172 1356 18 GLU HG2 H 2.25 0.03 2 173 1356 18 GLU HG3 H 2.40 0.03 2 174 1356 18 GLU C C 178.67 0.20 1 175 1356 18 GLU CA C 60.55 0.20 1 176 1356 18 GLU CB C 29.18 0.20 1 177 1356 18 GLU CG C 36.70 0.20 1 178 1356 18 GLU N N 120.32 0.30 1 179 1357 19 GLU H H 8.60 0.03 1 180 1357 19 GLU HA H 4.10 0.03 1 181 1357 19 GLU HB2 H 1.95 0.03 2 182 1357 19 GLU HB3 H 2.10 0.03 2 183 1357 19 GLU HG3 H 2.30 0.03 2 184 1357 19 GLU C C 179.22 0.20 1 185 1357 19 GLU CA C 59.87 0.20 1 186 1357 19 GLU CB C 29.41 0.20 1 187 1357 19 GLU CG C 36.37 0.20 1 188 1357 19 GLU N N 117.21 0.30 1 189 1358 20 GLU H H 8.00 0.03 1 190 1358 20 GLU HA H 4.12 0.03 1 191 1358 20 GLU HB2 H 1.89 0.03 2 192 1358 20 GLU HB3 H 2.40 0.03 2 193 1358 20 GLU HG2 H 2.35 0.03 2 194 1358 20 GLU HG3 H 2.52 0.03 2 195 1358 20 GLU C C 179.56 0.20 1 196 1358 20 GLU CA C 58.70 0.20 1 197 1358 20 GLU CB C 29.37 0.20 1 198 1358 20 GLU CG C 36.79 0.20 1 199 1358 20 GLU N N 118.99 0.30 1 200 1359 21 ALA H H 8.67 0.03 1 201 1359 21 ALA HA H 3.83 0.03 1 202 1359 21 ALA HB H 1.44 0.03 1 203 1359 21 ALA C C 178.22 0.20 1 204 1359 21 ALA CA C 55.02 0.20 1 205 1359 21 ALA CB C 19.64 0.20 1 206 1359 21 ALA N N 120.95 0.30 1 207 1360 22 HIS H H 8.86 0.03 1 208 1360 22 HIS HA H 3.79 0.03 1 209 1360 22 HIS HB2 H 3.35 0.03 2 210 1360 22 HIS HB3 H 3.38 0.03 2 211 1360 22 HIS HD2 H 7.36 0.03 1 212 1360 22 HIS HE1 H 8.60 0.03 1 213 1360 22 HIS C C 176.41 0.20 1 214 1360 22 HIS CA C 60.09 0.20 1 215 1360 22 HIS CB C 28.68 0.20 1 216 1360 22 HIS CD2 C 119.99 0.20 1 217 1360 22 HIS CE1 C 136.64 0.20 1 218 1360 22 HIS N N 114.87 0.30 1 219 1361 23 ASN H H 8.12 0.03 1 220 1361 23 ASN HA H 4.27 0.03 1 221 1361 23 ASN HB2 H 2.75 0.03 2 222 1361 23 ASN HB3 H 2.86 0.03 2 223 1361 23 ASN HD21 H 8.07 0.03 2 224 1361 23 ASN HD22 H 7.10 0.03 2 225 1361 23 ASN C C 176.66 0.20 1 226 1361 23 ASN CA C 56.45 0.20 1 227 1361 23 ASN CB C 38.42 0.20 1 228 1361 23 ASN N N 115.04 0.30 1 229 1361 23 ASN ND2 N 112.78 0.30 1 230 1362 24 ALA H H 7.86 0.03 1 231 1362 24 ALA HA H 3.49 0.03 1 232 1362 24 ALA HB H 1.39 0.03 1 233 1362 24 ALA C C 178.82 0.20 1 234 1362 24 ALA CA C 54.85 0.20 1 235 1362 24 ALA CB C 19.16 0.20 1 236 1362 24 ALA N N 119.80 0.30 1 237 1363 25 LEU H H 7.78 0.03 1 238 1363 25 LEU HA H 2.98 0.03 1 239 1363 25 LEU HB2 H -0.51 0.03 2 240 1363 25 LEU HB3 H 0.76 0.03 2 241 1363 25 LEU HG H 1.02 0.03 1 242 1363 25 LEU HD1 H 0.55 0.03 2 243 1363 25 LEU HD2 H 0.40 0.03 2 244 1363 25 LEU C C 178.42 0.20 1 245 1363 25 LEU CA C 58.22 0.20 1 246 1363 25 LEU CB C 39.16 0.20 1 247 1363 25 LEU CG C 27.57 0.20 1 248 1363 25 LEU CD1 C 26.12 0.20 2 249 1363 25 LEU CD2 C 23.02 0.20 2 250 1363 25 LEU N N 116.50 0.30 1 251 1364 26 GLU H H 7.71 0.03 1 252 1364 26 GLU HA H 3.55 0.03 1 253 1364 26 GLU HB3 H 1.92 0.03 2 254 1364 26 GLU HG2 H 2.21 0.03 2 255 1364 26 GLU HG3 H 2.24 0.03 2 256 1364 26 GLU C C 180.08 0.20 1 257 1364 26 GLU CA C 59.33 0.20 1 258 1364 26 GLU CB C 29.41 0.20 1 259 1364 26 GLU CG C 36.20 0.20 1 260 1364 26 GLU N N 117.58 0.30 1 261 1365 27 LYS H H 7.62 0.03 1 262 1365 27 LYS HA H 3.92 0.03 1 263 1365 27 LYS HB3 H 1.45 0.03 2 264 1365 27 LYS HG2 H 1.20 0.03 2 265 1365 27 LYS HG3 H 1.30 0.03 2 266 1365 27 LYS HD3 H 1.31 0.03 2 267 1365 27 LYS HE3 H 2.87 0.03 2 268 1365 27 LYS C C 177.91 0.20 1 269 1365 27 LYS CA C 58.02 0.20 1 270 1365 27 LYS CB C 32.39 0.20 1 271 1365 27 LYS CG C 25.02 0.20 1 272 1365 27 LYS CD C 28.46 0.20 1 273 1365 27 LYS CE C 41.98 0.20 1 274 1365 27 LYS N N 117.19 0.30 1 275 1366 28 CYS H H 7.12 0.03 1 276 1366 28 CYS HA H 4.46 0.03 1 277 1366 28 CYS HB2 H 2.40 0.03 2 278 1366 28 CYS HB3 H 3.09 0.03 2 279 1366 28 CYS C C 174.58 0.20 1 280 1366 28 CYS CA C 58.19 0.20 1 281 1366 28 CYS CB C 27.59 0.20 1 282 1366 28 CYS N N 112.55 0.30 1 283 1367 29 ASN H H 7.67 0.03 1 284 1367 29 ASN HA H 4.46 0.03 1 285 1367 29 ASN HB2 H 2.67 0.03 2 286 1367 29 ASN HB3 H 3.11 0.03 2 287 1367 29 ASN HD21 H 7.61 0.03 2 288 1367 29 ASN HD22 H 6.83 0.03 2 289 1367 29 ASN C C 174.00 0.20 1 290 1367 29 ASN CA C 54.97 0.20 1 291 1367 29 ASN CB C 37.12 0.20 1 292 1367 29 ASN N N 116.44 0.30 1 293 1367 29 ASN ND2 N 111.29 0.30 1 294 1368 30 TRP H H 9.07 0.03 1 295 1368 30 TRP HA H 3.10 0.03 1 296 1368 30 TRP HB2 H 3.17 0.03 2 297 1368 30 TRP HB3 H 3.55 0.03 2 298 1368 30 TRP HD1 H 7.10 0.03 1 299 1368 30 TRP HE1 H 10.21 0.03 1 300 1368 30 TRP HE3 H 7.45 0.03 1 301 1368 30 TRP HZ2 H 7.35 0.03 1 302 1368 30 TRP HZ3 H 7.25 0.03 1 303 1368 30 TRP HH2 H 6.84 0.03 1 304 1368 30 TRP C C 172.92 0.20 1 305 1368 30 TRP CA C 59.80 0.20 1 306 1368 30 TRP CB C 24.32 0.20 1 307 1368 30 TRP CD1 C 127.00 0.20 1 308 1368 30 TRP CE3 C 120.14 0.20 1 309 1368 30 TRP CZ2 C 114.32 0.20 1 310 1368 30 TRP CZ3 C 123.31 0.20 1 311 1368 30 TRP CH2 C 123.50 0.20 1 312 1368 30 TRP N N 109.03 0.30 1 313 1368 30 TRP NE1 N 112.06 0.30 1 314 1369 31 ASP H H 7.11 0.03 1 315 1369 31 ASP HA H 4.80 0.03 1 316 1369 31 ASP HB2 H 2.59 0.03 2 317 1369 31 ASP HB3 H 3.04 0.03 2 318 1369 31 ASP C C 175.82 0.20 1 319 1369 31 ASP CA C 52.90 0.20 1 320 1369 31 ASP CB C 42.27 0.20 1 321 1369 31 ASP N N 118.05 0.30 1 322 1370 32 LEU H H 8.72 0.03 1 323 1370 32 LEU HA H 3.84 0.03 1 324 1370 32 LEU HB2 H 1.68 0.03 2 325 1370 32 LEU HB3 H 1.78 0.03 2 326 1370 32 LEU HG H 1.59 0.03 1 327 1370 32 LEU HD1 H 0.97 0.03 2 328 1370 32 LEU HD2 H 0.97 0.03 2 329 1370 32 LEU C C 179.10 0.20 1 330 1370 32 LEU CA C 58.83 0.20 1 331 1370 32 LEU CB C 42.52 0.20 1 332 1370 32 LEU CG C 27.98 0.20 1 333 1370 32 LEU CD1 C 26.02 0.20 2 334 1370 32 LEU CD2 C 24.70 0.20 2 335 1370 32 LEU N N 127.13 0.30 1 336 1371 33 GLU H H 8.51 0.03 1 337 1371 33 GLU HA H 3.88 0.03 1 338 1371 33 GLU HB3 H 2.16 0.03 2 339 1371 33 GLU HG2 H 2.26 0.03 2 340 1371 33 GLU HG3 H 2.43 0.03 2 341 1371 33 GLU C C 178.84 0.20 1 342 1371 33 GLU CA C 60.45 0.20 1 343 1371 33 GLU CB C 29.43 0.20 1 344 1371 33 GLU CG C 36.90 0.20 1 345 1371 33 GLU N N 121.38 0.30 1 346 1372 34 ALA H H 8.48 0.03 1 347 1372 34 ALA HA H 4.17 0.03 1 348 1372 34 ALA HB H 1.52 0.03 1 349 1372 34 ALA C C 180.78 0.20 1 350 1372 34 ALA CA C 55.13 0.20 1 351 1372 34 ALA CB C 17.91 0.20 1 352 1372 34 ALA N N 122.49 0.30 1 353 1373 35 ALA H H 8.82 0.03 1 354 1373 35 ALA HA H 4.18 0.03 1 355 1373 35 ALA HB H 1.06 0.03 1 356 1373 35 ALA C C 178.53 0.20 1 357 1373 35 ALA CA C 54.98 0.20 1 358 1373 35 ALA CB C 18.89 0.20 1 359 1373 35 ALA N N 120.21 0.30 1 360 1374 36 THR H H 8.09 0.03 1 361 1374 36 THR HA H 3.51 0.03 1 362 1374 36 THR HB H 4.17 0.03 1 363 1374 36 THR HG1 H 4.37 0.03 1 364 1374 36 THR HG2 H 1.12 0.03 1 365 1374 36 THR C C 176.00 0.20 1 366 1374 36 THR CA C 67.83 0.20 1 367 1374 36 THR CB C 67.83 0.20 1 368 1374 36 THR CG2 C 22.18 0.20 1 369 1374 36 THR N N 113.46 0.30 1 370 1375 37 ASN H H 7.67 0.03 1 371 1375 37 ASN HA H 4.18 0.03 1 372 1375 37 ASN HB3 H 2.74 0.03 2 373 1375 37 ASN HD21 H 7.31 0.03 1 374 1375 37 ASN HD22 H 7.31 0.03 1 375 1375 37 ASN C C 176.25 0.20 1 376 1375 37 ASN CA C 57.23 0.20 1 377 1375 37 ASN CB C 38.84 0.20 1 378 1375 37 ASN N N 117.53 0.30 1 379 1375 37 ASN ND2 N 112.64 0.30 1 380 1376 38 PHE H H 8.30 0.03 1 381 1376 38 PHE HA H 4.15 0.03 1 382 1376 38 PHE HB2 H 3.13 0.03 2 383 1376 38 PHE HB3 H 3.21 0.03 2 384 1376 38 PHE HD1 H 6.99 0.03 3 385 1376 38 PHE HE1 H 7.20 0.03 3 386 1376 38 PHE HZ H 7.20 0.03 1 387 1376 38 PHE C C 178.38 0.20 1 388 1376 38 PHE CA C 61.02 0.20 1 389 1376 38 PHE CB C 39.52 0.20 1 390 1376 38 PHE CD1 C 131.41 0.20 1 391 1376 38 PHE CE1 C 131.50 0.20 1 392 1376 38 PHE N N 119.05 0.30 1 393 1377 39 LEU H H 7.85 0.03 1 394 1377 39 LEU HA H 3.66 0.03 1 395 1377 39 LEU HB2 H 0.68 0.03 2 396 1377 39 LEU HB3 H 1.41 0.03 2 397 1377 39 LEU HG H 1.41 0.03 1 398 1377 39 LEU HD1 H 0.57 0.03 2 399 1377 39 LEU HD2 H -0.08 0.03 2 400 1377 39 LEU C C 179.54 0.20 1 401 1377 39 LEU CA C 57.35 0.20 1 402 1377 39 LEU CB C 41.34 0.20 1 403 1377 39 LEU CG C 26.57 0.20 1 404 1377 39 LEU CD1 C 22.79 0.20 2 405 1377 39 LEU CD2 C 24.86 0.20 2 406 1377 39 LEU N N 119.63 0.30 1 407 1378 40 LEU H H 7.87 0.03 1 408 1378 40 LEU HA H 4.18 0.03 1 409 1378 40 LEU HB2 H 1.44 0.03 2 410 1378 40 LEU HB3 H 1.83 0.03 2 411 1378 40 LEU HG H 1.95 0.03 1 412 1378 40 LEU HD1 H 0.91 0.03 2 413 1378 40 LEU HD2 H 0.77 0.03 2 414 1378 40 LEU C C 178.88 0.20 1 415 1378 40 LEU CA C 56.79 0.20 1 416 1378 40 LEU CB C 41.48 0.20 1 417 1378 40 LEU CG C 26.38 0.20 1 418 1378 40 LEU CD1 C 22.32 0.20 2 419 1378 40 LEU CD2 C 25.59 0.20 2 420 1378 40 LEU N N 117.00 0.30 1 421 1379 41 ASP H H 8.07 0.03 1 422 1379 41 ASP HA H 4.58 0.03 1 423 1379 41 ASP HB2 H 2.61 0.03 2 424 1379 41 ASP HB3 H 2.69 0.03 2 425 1379 41 ASP C C 176.76 0.20 1 426 1379 41 ASP CA C 55.40 0.20 1 427 1379 41 ASP CB C 40.54 0.20 1 428 1379 41 ASP N N 117.51 0.30 1 429 1380 42 SER H H 7.53 0.03 1 430 1380 42 SER HA H 4.30 0.03 1 431 1380 42 SER HB2 H 3.63 0.03 2 432 1380 42 SER HB3 H 3.69 0.03 2 433 1380 42 SER C C 173.10 0.20 1 434 1380 42 SER CA C 58.47 0.20 1 435 1380 42 SER CB C 63.76 0.20 1 436 1380 42 SER N N 113.35 0.30 1 437 1381 43 ALA H H 7.42 0.03 1 438 1381 43 ALA HA H 4.11 0.03 1 439 1381 43 ALA HB H 1.40 0.03 1 440 1381 43 ALA CA C 53.98 0.20 1 441 1381 43 ALA CB C 19.96 0.20 1 442 1381 43 ALA N N 129.53 0.30 1 stop_ save_