data_16002 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; cytoskeletal complex ; _BMRB_accession_number 16002 _BMRB_flat_file_name bmr16002.str _Entry_type new _Submission_date 2008-10-24 _Accession_date 2008-10-24 _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 Ithychanda 'Sujay Subbayya' N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 610 "13C chemical shifts" 321 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'edit assembly name' 2009-04-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_cytoskeletal_complex _Saveframe_category entry_citation _Citation_full . _Citation_title 'Migfilin, a molecular switch in regulation of integrin activation' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19074766 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ithychanda 'Sujay Subbayya' . . 2 Das Mitali . . 3 Ma Yan-Qing . . 4 Ding Keyang . . 5 Wang Xiaoxia . . 6 Gupta Sudhiranjan . . 7 Wu Chuanyue . . 8 Plow Edward F. . 9 Qin Jun . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 284 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4713 _Page_last 4722 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Migfilin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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 entity_1 _Molecular_mass 12434.841 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GIPEFFQFTVGPLGEGGAHK VRAGGTGLERGVAGVPAEFS IWTREAGAGGLSIAVEGPSK AEIAFEDRKDGSCGVSYVVQ EPGDYEVSIKFNDEHIPDSP FVVPVASLSDDARRLTVTS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 PRO 4 GLU 5 PHE 6 PHE 7 GLN 8 PHE 9 THR 10 VAL 11 GLY 12 PRO 13 LEU 14 GLY 15 GLU 16 GLY 17 GLY 18 ALA 19 HIS 20 LYS 21 VAL 22 ARG 23 ALA 24 GLY 25 GLY 26 THR 27 GLY 28 LEU 29 GLU 30 ARG 31 GLY 32 VAL 33 ALA 34 GLY 35 VAL 36 PRO 37 ALA 38 GLU 39 PHE 40 SER 41 ILE 42 TRP 43 THR 44 ARG 45 GLU 46 ALA 47 GLY 48 ALA 49 GLY 50 GLY 51 LEU 52 SER 53 ILE 54 ALA 55 VAL 56 GLU 57 GLY 58 PRO 59 SER 60 LYS 61 ALA 62 GLU 63 ILE 64 ALA 65 PHE 66 GLU 67 ASP 68 ARG 69 LYS 70 ASP 71 GLY 72 SER 73 CYS 74 GLY 75 VAL 76 SER 77 TYR 78 VAL 79 VAL 80 GLN 81 GLU 82 PRO 83 GLY 84 ASP 85 TYR 86 GLU 87 VAL 88 SER 89 ILE 90 LYS 91 PHE 92 ASN 93 ASP 94 GLU 95 HIS 96 ILE 97 PRO 98 ASP 99 SER 100 PRO 101 PHE 102 VAL 103 VAL 104 PRO 105 VAL 106 ALA 107 SER 108 LEU 109 SER 110 ASP 111 ASP 112 ALA 113 ARG 114 ARG 115 LEU 116 THR 117 VAL 118 THR 119 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-10 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 2K9U "Solution Nmr Structure Of The Filamin-migfilin Complex" 100.00 119 100.00 100.00 1.27e-77 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 2661.174 _Mol_thiol_state 'not present' _Details . _Residue_count 24 _Mol_residue_sequence ; MASKPEKRVASSVFITLAPP RRDV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 LYS 5 PRO 6 GLU 7 LYS 8 ARG 9 VAL 10 ALA 11 SER 12 SER 13 VAL 14 PHE 15 ILE 16 THR 17 LEU 18 ALA 19 PRO 20 PRO 21 ARG 22 ARG 23 ASP 24 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2K9U "Solution Nmr Structure Of The Filamin-migfilin Complex" 100.00 24 100.00 100.00 1.86e-06 PDB 2W0P "Crystal Structure Of The Filamin A Repeat 21 Complexed With The Migfilin Peptide" 62.50 15 100.00 100.00 5.24e+00 DBJ BAB55115 "unnamed protein product [Homo sapiens]" 100.00 276 100.00 100.00 3.82e-05 DBJ BAE32761 "unnamed protein product [Mus musculus]" 100.00 375 100.00 100.00 1.76e-05 DBJ BAE41598 "unnamed protein product [Mus musculus]" 100.00 375 100.00 100.00 1.76e-05 DBJ BAE41798 "unnamed protein product [Mus musculus]" 100.00 375 100.00 100.00 1.76e-05 DBJ BAG51492 "unnamed protein product [Homo sapiens]" 100.00 373 100.00 100.00 2.19e-05 EMBL CAA47354 "En-2/lacZ fusion protein [Mus musculus]" 100.00 194 100.00 100.00 4.26e-06 GB AAH04777 "Filamin binding LIM protein 1 [Mus musculus]" 100.00 375 100.00 100.00 1.76e-05 GB AAH19895 "FBLIM1 protein [Homo sapiens]" 100.00 373 100.00 100.00 2.19e-05 GB AAO15549 "filamin-binding LIM protein-1 [Homo sapiens]" 100.00 374 100.00 100.00 2.01e-05 GB AAO49012 "migfilin [Homo sapiens]" 100.00 373 100.00 100.00 2.19e-05 GB AAQ08090 "CSX-associated LIM [Mus musculus]" 100.00 375 100.00 100.00 1.81e-05 PIR A38203 "proline-rich protein - mouse (fragment)" 100.00 194 100.00 100.00 4.26e-06 REF NP_001019386 "filamin-binding LIM protein 1 isoform b [Homo sapiens]" 100.00 374 100.00 100.00 1.95e-05 REF NP_001019387 "filamin-binding LIM protein 1 isoform c [Homo sapiens]" 100.00 276 100.00 100.00 4.26e-05 REF NP_001156728 "filamin-binding LIM protein 1 [Mus musculus]" 100.00 375 100.00 100.00 1.76e-05 REF NP_060026 "filamin-binding LIM protein 1 isoform a [Homo sapiens]" 100.00 373 100.00 100.00 2.19e-05 REF NP_598515 "filamin-binding LIM protein 1 [Mus musculus]" 100.00 375 100.00 100.00 1.76e-05 SP Q71FD7 "RecName: Full=Filamin-binding LIM protein 1; Short=FBLP-1; AltName: Full=CSX-associated LIM [Mus musculus]" 100.00 375 100.00 100.00 1.76e-05 SP Q8WUP2 "RecName: Full=Filamin-binding LIM protein 1; Short=FBLP-1; AltName: Full=Migfilin; AltName: Full=Mitogen-inducible 2-interactin" 100.00 373 100.00 100.00 2.19e-05 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 $entity_2 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 'recombinant technology' . . . BL21(DE3) pGEX5x-1 $entity_2 'chemical synthesis' . . . . . 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 0.1-1 mM '[U-100% 13C; U-100% 15N]' $entity_2 0.1-1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task '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_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 302 . K pH 6.4 . pH pressure 1 . atm 'ionic strength' 0.025 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 H 1 'methyl protons' ppm 0 external direct . . . 1.0 acetate C 13 'methyl carbon' ppm . external direct . . . 1.0 urea N 15 nitrogen ppm . external direct . . . 1.0 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_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 GLY HA2 H 4.4000 . . 2 1 1 GLY HA3 H 3.7800 . 2 3 1 1 GLY CA C 42.5800 . 1 4 2 2 ILE H H 8.8000 . 1 5 2 2 ILE N N 126.6300 . 1 6 3 3 PRO HA H 4.3600 . 1 7 3 3 PRO HB2 H 1.8800 . . 8 3 3 PRO HB3 H 2.2100 . 2 9 3 3 PRO HD2 H 3.5500 . . 10 3 3 PRO HD3 H 3.5500 . . 11 3 3 PRO HG2 H 1.9500 . . 12 3 3 PRO HG3 H 1.9500 . . 13 3 3 PRO CA C 60.6700 . 1 14 3 3 PRO CB C 29.3900 . 1 15 3 3 PRO CD C 47.1800 . 1 16 3 3 PRO CG C 24.4900 . 1 17 4 4 GLU H H 8.2700 . 1 18 4 4 GLU HA H 4.3600 . 1 19 4 4 GLU HB2 H 1.8700 . . 20 4 4 GLU HB3 H 2.2200 . 2 21 4 4 GLU HG2 H 2.2300 . . 22 4 4 GLU HG3 H 2.2300 . . 23 4 4 GLU CA C 53.6900 . 1 24 4 4 GLU CB C 29.4300 . 1 25 4 4 GLU CG C 33.5900 . 1 26 4 4 GLU N N 119.2900 . 1 27 5 5 PHE H H 8.8100 . 1 28 5 5 PHE N N 126.6000 . 1 29 6 6 PHE H H 8.0700 . 1 30 6 6 PHE HA H 4.6500 . 1 31 6 6 PHE HB2 H 2.9200 . . 32 6 6 PHE HB3 H 3.0800 . 2 33 6 6 PHE CA C 54.9200 . 1 34 6 6 PHE CB C 37.1900 . 1 35 6 6 PHE N N 120.3800 . 1 36 7 7 GLN H H 7.9800 . 1 37 7 7 GLN HA H 4.4300 . 1 38 7 7 GLN HB2 H 1.7900 . . 39 7 7 GLN HB3 H 1.7900 . . 40 7 7 GLN HG2 H 2.0900 . . 41 7 7 GLN HG3 H 2.0900 . . 42 7 7 GLN CA C 54.8600 . 1 43 7 7 GLN CB C 26.5700 . 1 44 7 7 GLN CG C 30.9600 . 1 45 7 7 GLN N N 119.9300 . 1 46 8 8 PHE H H 8.0300 . 1 47 8 8 PHE HA H 4.6300 . 1 48 8 8 PHE HB2 H 3.0900 . . 49 8 8 PHE HB3 H 3.0900 . . 50 8 8 PHE CA C 55.0200 . 1 51 8 8 PHE CB C 36.8400 . 1 52 8 8 PHE N N 119.5600 . 1 53 9 9 THR H H 8.0400 . 1 54 9 9 THR HA H 4.3000 . 1 55 9 9 THR HB H 4.0700 . 1 56 9 9 THR HG2 H 1.1400 . . 57 9 9 THR CA C 59.4100 . 1 58 9 9 THR CB C 67.4400 . 1 59 9 9 THR CG2 C 18.7000 . 1 60 9 9 THR N N 114.6500 . 1 61 10 10 VAL H H 8.0700 . 1 62 10 10 VAL HA H 4.2100 . 1 63 10 10 VAL HB H 2.0800 . 1 64 10 10 VAL HG1 H 0.9100 . . 65 10 10 VAL HG2 H 0.9100 . . 66 10 10 VAL CA C 59.4700 . 1 67 10 10 VAL CB C 30.1800 . 1 68 10 10 VAL CG1 C 17.8600 . 2 69 10 10 VAL N N 120.3800 . 1 70 11 11 GLY H H 8.2000 . 1 71 11 11 GLY HA2 H 4.0900 . . 72 11 11 GLY HA3 H 4.0000 . 2 73 11 11 GLY CA C 41.4200 . 1 74 11 11 GLY N N 110.9100 . 1 75 12 12 PRO HA H 4.3600 . 1 76 12 12 PRO HB2 H 2.2300 . . 77 12 12 PRO HB3 H 2.2300 . . 78 12 12 PRO HD2 H 3.5700 . . 79 12 12 PRO HD3 H 3.5700 . . 80 12 12 PRO HG2 H 2.2200 . . 81 12 12 PRO HG3 H 1.8800 . 2 82 12 12 PRO CA C 60.5900 . 1 83 12 12 PRO CB C 33.6000 . 1 84 12 12 PRO CD C 47.2600 . 1 85 12 12 PRO CG C 29.4400 . 1 86 13 13 LEU H H 8.3600 . 1 87 13 13 LEU HA H 4.3400 . 1 88 13 13 LEU HB2 H 1.6000 . . 89 13 13 LEU HB3 H 1.6000 . . 90 13 13 LEU HD1 H 0.8900 . . 91 13 13 LEU HD2 H 0.8200 . . 92 13 13 LEU HG H 1.6300 . 1 93 13 13 LEU CA C 52.8000 . 1 94 13 13 LEU CB C 39.6500 . 1 95 13 13 LEU CD1 C 24.4600 . 2 96 13 13 LEU CD2 C 20.4700 . 2 97 13 13 LEU CG C 29.3400 . 1 98 13 13 LEU N N 120.3900 . 1 99 14 14 GLY H H 8.2400 . 1 100 14 14 GLY HA2 H 3.9600 . . 101 14 14 GLY HA3 H 3.6600 . 2 102 14 14 GLY CA C 40.2400 . 1 103 14 14 GLY N N 107.8600 . 1 104 15 15 GLU H H 8.2500 . 1 105 15 15 GLU HA H 4.3600 . 1 106 15 15 GLU HB2 H 2.0800 . . 107 15 15 GLU HB3 H 2.3000 . 2 108 15 15 GLU HG2 H 2.2300 . . 109 15 15 GLU HG3 H 2.2300 . . 110 15 15 GLU CA C 53.9200 . 1 111 15 15 GLU CB C 27.8000 . 1 112 15 15 GLU CG C 33.5900 . 1 113 15 15 GLU N N 118.8000 . 1 114 16 16 GLY H H 8.4600 . 1 115 16 16 GLY HA2 H 3.9600 . . 116 16 16 GLY HA3 H 3.8800 . 2 117 16 16 GLY CA C 42.4900 . 1 118 16 16 GLY N N 108.1900 . 1 119 17 17 GLY H H 8.3000 . 1 120 17 17 GLY HA2 H 4.4300 . . 121 17 17 GLY HA3 H 3.7800 . 2 122 17 17 GLY CA C 42.5500 . 1 123 17 17 GLY N N 105.7900 . 1 124 18 18 ALA H H 8.8000 . 1 125 18 18 ALA HA H 3.7600 . 1 126 18 18 ALA HB H 1.6200 . . 127 18 18 ALA CA C 52.7800 . 1 128 18 18 ALA CB C 16.8100 . 1 129 18 18 ALA N N 120.7700 . 1 130 19 19 HIS H H 8.2300 . 1 131 19 19 HIS HA H 4.4100 . 1 132 19 19 HIS HB2 H 3.2100 . . 133 19 19 HIS HB3 H 3.1100 . 2 134 19 19 HIS CA C 54.7400 . 1 135 19 19 HIS CB C 26.2400 . 1 136 19 19 HIS N N 109.4900 . 1 137 20 20 LYS H H 7.5700 . 1 138 20 20 LYS HA H 4.1700 . 1 139 20 20 LYS HB2 H 1.3600 . . 140 20 20 LYS HB3 H 1.3600 . . 141 20 20 LYS HD2 H 1.4000 . . 142 20 20 LYS HD3 H 1.5000 . 2 143 20 20 LYS HE2 H 2.8800 . . 144 20 20 LYS HE3 H 2.8800 . . 145 20 20 LYS HG2 H 0.8100 . . 146 20 20 LYS HG3 H 1.0100 . 2 147 20 20 LYS CA C 52.1000 . 1 148 20 20 LYS CB C 29.8500 . 1 149 20 20 LYS CD C 25.4700 . 1 150 20 20 LYS CE C 39.6800 . 1 151 20 20 LYS CG C 21.5100 . 1 152 20 20 LYS N N 115.9200 . 1 153 21 21 VAL H H 7.4600 . 1 154 21 21 VAL HA H 4.2700 . 1 155 21 21 VAL HB H 2.1500 . 1 156 21 21 VAL HG1 H 0.9000 . . 157 21 21 VAL HG2 H 0.9000 . . 158 21 21 VAL CA C 60.7300 . 1 159 21 21 VAL CB C 29.3400 . 1 160 21 21 VAL CG1 C 18.0300 . . 161 21 21 VAL CG2 C 18.0300 . . 162 21 21 VAL N N 122.0300 . 1 163 22 22 ARG H H 7.8400 . 1 164 22 22 ARG HA H 5.1000 . 1 165 22 22 ARG HB2 H 1.9200 . . 166 22 22 ARG HB3 H 1.8200 . 2 167 22 22 ARG HD2 H 3.1800 . . 168 22 22 ARG HD3 H 3.1200 . 2 169 22 22 ARG HG2 H 1.6200 . . 170 22 22 ARG HG3 H 1.5700 . 2 171 22 22 ARG CA C 51.2300 . 1 172 22 22 ARG CB C 31.9300 . 1 173 22 22 ARG CD C 40.1400 . 1 174 22 22 ARG CG C 24.4600 . 1 175 22 22 ARG N N 121.5200 . 1 176 23 23 ALA H H 8.9200 . 1 177 23 23 ALA HA H 5.5800 . 1 178 23 23 ALA HB H 1.2000 . . 179 23 23 ALA CA C 47.8100 . 1 180 23 23 ALA CB C 21.6600 . 1 181 23 23 ALA N N 123.3000 . 1 182 24 24 GLY H H 8.4500 . 1 183 24 24 GLY HA2 H 4.2000 . . 184 24 24 GLY HA3 H 4.1600 . 2 185 24 24 GLY CA C 43.5600 . 1 186 24 24 GLY N N 104.2200 . 1 187 25 25 GLY H H 8.7700 . 1 188 25 25 GLY HA2 H 4.8800 . . 189 25 25 GLY HA3 H 4.0500 . 2 190 25 25 GLY CA C 42.1100 . 1 191 25 25 GLY N N 109.5900 . 1 192 26 26 THR H H 8.6200 . 1 193 26 26 THR HA H 4.0300 . 1 194 26 26 THR HB H 4.3600 . 1 195 26 26 THR HG2 H 1.4000 . . 196 26 26 THR CA C 63.2800 . 1 197 26 26 THR CB C 65.9900 . 1 198 26 26 THR CG2 C 19.7800 . 1 199 26 26 THR N N 113.0500 . 1 200 27 27 GLY H H 9.0400 . 1 201 27 27 GLY HA2 H 4.2700 . . 202 27 27 GLY HA3 H 3.3900 . 2 203 27 27 GLY CA C 44.2500 . 1 204 27 27 GLY N N 105.1900 . 1 205 28 28 LEU H H 7.4500 . 1 206 28 28 LEU HA H 4.2100 . 1 207 28 28 LEU HB2 H 1.1900 . . 208 28 28 LEU HB3 H 1.0400 . 2 209 28 28 LEU HD1 H -0.7800 . . 210 28 28 LEU HD2 H -0.5100 . . 211 28 28 LEU HG H 0.2400 . 1 212 28 28 LEU CA C 51.1500 . 1 213 28 28 LEU CB C 37.6700 . 1 214 28 28 LEU CD1 C 17.3100 . 2 215 28 28 LEU CD2 C 21.1700 . 2 216 28 28 LEU CG C 22.9800 . 1 217 28 28 LEU N N 114.9800 . 1 218 29 29 GLU H H 7.9800 . 1 219 29 29 GLU HA H 4.5400 . 1 220 29 29 GLU HB2 H 1.8600 . . 221 29 29 GLU HB3 H 1.8600 . . 222 29 29 GLU HG2 H 2.1800 . . 223 29 29 GLU HG3 H 2.3600 . 2 224 29 29 GLU CA C 54.9100 . 1 225 29 29 GLU CB C 29.4300 . 1 226 29 29 GLU CG C 33.1800 . 1 227 29 29 GLU N N 117.8100 . 1 228 30 30 ARG H H 8.3400 . 1 229 30 30 ARG HA H 4.7200 . 1 230 30 30 ARG HB2 H 2.1200 . . 231 30 30 ARG HB3 H 2.1200 . . 232 30 30 ARG HD2 H 3.1700 . . 233 30 30 ARG HD3 H 3.1700 . . 234 30 30 ARG HG2 H 1.5900 . . 235 30 30 ARG HG3 H 1.4200 . 2 236 30 30 ARG CA C 53.3500 . 1 237 30 30 ARG CB C 29.4400 . 1 238 30 30 ARG CD C 40.6400 . 1 239 30 30 ARG CG C 23.3900 . 1 240 30 30 ARG N N 112.8900 . 1 241 31 31 GLY H H 8.1000 . 1 242 31 31 GLY HA2 H 4.5400 . . 243 31 31 GLY HA3 H 3.6100 . 2 244 31 31 GLY CA C 41.6300 . 1 245 31 31 GLY N N 103.6700 . 1 246 32 32 VAL H H 9.4100 . 1 247 32 32 VAL HA H 4.4500 . 1 248 32 32 VAL HB H 1.6000 . 1 249 32 32 VAL HG1 H 0.8100 . . 250 32 32 VAL HG2 H 0.8800 . . 251 32 32 VAL CA C 58.7300 . 1 252 32 32 VAL CB C 32.5600 . 1 253 32 32 VAL CG1 C 19.1800 . 2 254 32 32 VAL CG2 C 17.9400 . 2 255 32 32 VAL N N 122.1600 . 1 256 33 33 ALA H H 8.5600 . 1 257 33 33 ALA HA H 3.6200 . 1 258 33 33 ALA HB H 1.0000 . . 259 33 33 ALA CA C 50.8600 . 1 260 33 33 ALA CB C 14.4500 . 1 261 33 33 ALA N N 129.4900 . 1 262 34 34 GLY H H 8.5900 . 1 263 34 34 GLY HA2 H 4.3200 . . 264 34 34 GLY HA3 H 3.4200 . 2 265 34 34 GLY CA C 42.7100 . 1 266 34 34 GLY N N 106.9000 . 1 267 35 35 VAL H H 7.8400 . 1 268 35 35 VAL HA H 4.4500 . 1 269 35 35 VAL HB H 1.9800 . 1 270 35 35 VAL HG1 H 0.8800 . . 271 35 35 VAL HG2 H 0.7400 . . 272 35 35 VAL CA C 56.6600 . 1 273 35 35 VAL CB C 32.0300 . 1 274 35 35 VAL CG1 C 17.9400 . 2 275 35 35 VAL CG2 C 17.1100 . 2 276 35 35 VAL N N 121.5200 . 1 277 36 36 PRO HA H 4.2600 . 1 278 36 36 PRO HB2 H 1.9500 . . 279 36 36 PRO HB3 H 1.9500 . . 280 36 36 PRO HD2 H 3.8200 . . 281 36 36 PRO HD3 H 3.8200 . . 282 36 36 PRO HG2 H 1.9300 . . 283 36 36 PRO HG3 H 1.9300 . . 284 36 36 PRO CA C 60.7200 . 1 285 36 36 PRO CB C 28.7600 . 1 286 36 36 PRO CD C 48.9100 . 1 287 36 36 PRO CG C 24.7200 . 1 288 37 37 ALA H H 8.9200 . 1 289 37 37 ALA HA H 4.4900 . 1 290 37 37 ALA HB H 0.7400 . . 291 37 37 ALA CA C 47.5500 . 1 292 37 37 ALA CB C 17.1100 . 1 293 37 37 ALA N N 129.1600 . 1 294 38 38 GLU H H 8.4700 . 1 295 38 38 GLU HA H 4.3300 . 1 296 38 38 GLU HB2 H 2.0100 . . 297 38 38 GLU HB3 H 2.0100 . . 298 38 38 GLU HG2 H 2.0100 . . 299 38 38 GLU HG3 H 1.8200 . 2 300 38 38 GLU CA C 52.1500 . 1 301 38 38 GLU CB C 31.0100 . 1 302 38 38 GLU CG C 33.0400 . 1 303 38 38 GLU N N 117.1500 . 1 304 39 39 PHE H H 8.8700 . 1 305 39 39 PHE HA H 4.5200 . 1 306 39 39 PHE HB2 H 2.9300 . . 307 39 39 PHE HB3 H 2.9300 . . 308 39 39 PHE CA C 54.6700 . 1 309 39 39 PHE CB C 37.1700 . 1 310 39 39 PHE N N 115.7400 . 1 311 40 40 SER H H 8.8700 . 1 312 40 40 SER HA H 5.4200 . 1 313 40 40 SER HB2 H 2.9500 . . 314 40 40 SER HB3 H 2.9500 . . 315 40 40 SER CA C 54.8900 . 1 316 40 40 SER CB C 63.7900 . 1 317 40 40 SER N N 113.1400 . 1 318 41 41 ILE H H 8.4100 . 1 319 41 41 ILE HA H 4.6700 . 1 320 41 41 ILE HB H 1.5200 . 1 321 41 41 ILE HD1 H 0.8500 . . 322 41 41 ILE HG12 H 0.9000 . . 323 41 41 ILE HG13 H 0.9500 . 2 324 41 41 ILE HG2 H 0.7500 . . 325 41 41 ILE CA C 57.6400 . 1 326 41 41 ILE CB C 38.2600 . 1 327 41 41 ILE CD1 C 14.0500 . 1 328 41 41 ILE CG1 C 25.0000 . 1 329 41 41 ILE CG2 C 16.1400 . 1 330 41 41 ILE N N 118.0200 . 1 331 42 42 TRP H H 9.5800 . 1 332 42 42 TRP HA H 4.8700 . 1 333 42 42 TRP HB2 H 3.3400 . . 334 42 42 TRP HB3 H 3.1200 . 2 335 42 42 TRP CA C 56.2400 . 1 336 42 42 TRP CB C 27.6900 . 1 337 42 42 TRP N N 126.4300 . 1 338 43 43 THR H H 8.3700 . 1 339 43 43 THR HA H 3.8000 . 1 340 43 43 THR HB H 4.0600 . 1 341 43 43 THR HG2 H 1.0900 . . 342 43 43 THR CA C 59.2100 . 1 343 43 43 THR CB C 67.0700 . 1 344 43 43 THR CG2 C 18.4700 . . 345 43 43 THR N N 112.4600 . 1 346 44 44 ARG HA H 3.9100 . 1 347 44 44 ARG HB2 H 1.8200 . . 348 44 44 ARG HB3 H 1.8200 . . 349 44 44 ARG HD2 H 3.2000 . . 350 44 44 ARG HD3 H 3.2000 . . 351 44 44 ARG HG2 H 1.6000 . . 352 44 44 ARG HG3 H 1.6000 . . 353 44 44 ARG CA C 57.1900 . 1 354 44 44 ARG CB C 27.7100 . 1 355 44 44 ARG CD C 40.7200 . 1 356 44 44 ARG CG C 24.4600 . 1 357 45 45 GLU H H 8.2600 . 1 358 45 45 GLU HA H 4.1600 . 1 359 45 45 GLU HB2 H 1.8100 . . 360 45 45 GLU HB3 H 1.8100 . . 361 45 45 GLU HG2 H 2.2400 . . 362 45 45 GLU HG3 H 2.2400 . . 363 45 45 GLU CA C 54.5100 . 1 364 45 45 GLU CB C 27.5100 . 1 365 45 45 GLU CG C 34.7500 . 1 366 45 45 GLU N N 113.0800 . 1 367 46 46 ALA H H 7.5500 . 1 368 46 46 ALA HA H 3.8700 . 1 369 46 46 ALA HB H 0.6100 . . 370 46 46 ALA CA C 50.3500 . 1 371 46 46 ALA CB C 18.1200 . 1 372 46 46 ALA N N 119.5600 . 1 373 47 47 GLY H H 7.4500 . 1 374 47 47 GLY HA2 H 4.1800 . . 375 47 47 GLY HA3 H 3.6300 . 2 376 47 47 GLY CA C 41.9400 . 1 377 47 47 GLY N N 102.8700 . 1 378 48 48 ALA H H 8.2200 . 1 379 48 48 ALA HA H 4.2900 . 1 380 48 48 ALA HB H 1.3400 . . 381 48 48 ALA CA C 49.3600 . 1 382 48 48 ALA CB C 16.5900 . 1 383 48 48 ALA N N 120.3900 . 1 384 49 49 GLY H H 8.0000 . 1 385 49 49 GLY HA2 H 3.7200 . . 386 49 49 GLY HA3 H 3.7200 . . 387 49 49 GLY CA C 43.0000 . 1 388 49 49 GLY N N 106.7200 . 1 389 50 50 GLY H H 7.5800 . 1 390 50 50 GLY N N 104.7800 . 1 391 51 51 LEU HA H 5.3000 . 1 392 51 51 LEU HB2 H 1.4100 . . 393 51 51 LEU HB3 H 1.4100 . . 394 51 51 LEU HD1 H 0.8200 . . 395 51 51 LEU HG H 1.4700 . 1 396 51 51 LEU CA C 50.2700 . 1 397 51 51 LEU CB C 42.9300 . 1 398 51 51 LEU CD1 C 22.8600 . 2 399 51 51 LEU CG C 24.3700 . 1 400 52 52 SER H H 9.1100 . 1 401 52 52 SER HA H 5.1800 . 1 402 52 52 SER HB2 H 3.6600 . . 403 52 52 SER HB3 H 3.6600 . . 404 52 52 SER CA C 53.7000 . 1 405 52 52 SER CB C 63.0000 . 1 406 52 52 SER N N 117.2100 . 1 407 53 53 ILE H H 8.3300 . 1 408 53 53 ILE HA H 4.9300 . 1 409 53 53 ILE HB H 1.6200 . 1 410 53 53 ILE HD1 H 0.6500 . . 411 53 53 ILE HG12 H 1.3900 . . 412 53 53 ILE HG13 H 1.0000 . 2 413 53 53 ILE HG2 H 0.7400 . . 414 53 53 ILE CA C 57.2200 . 1 415 53 53 ILE CB C 37.7100 . 1 416 53 53 ILE CD1 C 13.3700 . . 417 53 53 ILE CG1 C 25.4100 . 1 418 53 53 ILE CG2 C 14.7600 . 1 419 53 53 ILE N N 124.0300 . 1 420 54 54 ALA H H 8.9200 . 1 421 54 54 ALA HA H 5.3900 . 1 422 54 54 ALA HB H 1.2800 . . 423 54 54 ALA CA C 47.4400 . 1 424 54 54 ALA CB C 19.8100 . 1 425 54 54 ALA N N 126.5300 . 1 426 55 55 VAL H H 9.0100 . 1 427 55 55 VAL HA H 4.8300 . 1 428 55 55 VAL HB H 1.7000 . 1 429 55 55 VAL HG1 H 0.3300 . . 430 55 55 VAL HG2 H 0.3300 . . 431 55 55 VAL CA C 58.4300 . 1 432 55 55 VAL CB C 31.0200 . 1 433 55 55 VAL CG1 C 16.6400 . . 434 55 55 VAL CG2 C 16.6400 . . 435 55 55 VAL N N 119.5900 . 1 436 56 56 GLU H H 9.2700 . 1 437 56 56 GLU HA H 4.6900 . 1 438 56 56 GLU HB2 H 2.2100 . . 439 56 56 GLU HB3 H 2.2100 . . 440 56 56 GLU HG2 H 2.3600 . . 441 56 56 GLU HG3 H 2.2300 . 2 442 56 56 GLU CA C 52.0000 . 1 443 56 56 GLU CB C 31.0500 . 1 444 56 56 GLU CG C 33.5900 . 1 445 56 56 GLU N N 127.3600 . 1 446 57 57 GLY H H 8.6200 . 1 447 57 57 GLY N N 108.5400 . 1 448 58 58 PRO HA H 4.4800 . 1 449 58 58 PRO HB2 H 1.9300 . . 450 58 58 PRO HB3 H 2.2800 . 2 451 58 58 PRO HD2 H 2.9200 . . 452 58 58 PRO HD3 H 2.9200 . . 453 58 58 PRO HG2 H 1.8900 . . 454 58 58 PRO HG3 H 1.8900 . . 455 58 58 PRO CA C 61.8500 . 1 456 58 58 PRO CB C 29.8200 . 1 457 58 58 PRO CD C 46.9000 . 1 458 58 58 PRO CG C 23.8100 . 1 459 59 59 SER H H 7.2000 . 1 460 59 59 SER HA H 4.6200 . 1 461 59 59 SER HB2 H 4.0100 . . 462 59 59 SER HB3 H 4.0100 . . 463 59 59 SER CA C 55.0500 . 1 464 59 59 SER CB C 63.6500 . 1 465 59 59 SER N N 106.9700 . 1 466 60 60 LYS H H 8.5700 . 1 467 60 60 LYS HA H 4.0000 . 1 468 60 60 LYS HB2 H 1.8500 . . 469 60 60 LYS HB3 H 1.8500 . . 470 60 60 LYS HD2 H 1.6800 . . 471 60 60 LYS HD3 H 1.6800 . . 472 60 60 LYS HE2 H 3.0300 . . 473 60 60 LYS HE3 H 3.0300 . . 474 60 60 LYS HG2 H 1.3400 . . 475 60 60 LYS HG3 H 1.3400 . . 476 60 60 LYS CA C 54.0900 . 1 477 60 60 LYS CB C 30.4800 . 1 478 60 60 LYS CD C 26.5200 . 1 479 60 60 LYS CE C 39.3500 . 1 480 60 60 LYS CG C 22.2600 . 1 481 60 60 LYS N N 118.8900 . 1 482 61 61 ALA H H 8.8300 . 1 483 61 61 ALA HA H 4.9300 . 1 484 61 61 ALA HB H 1.1100 . . 485 61 61 ALA CA C 47.9800 . 1 486 61 61 ALA CB C 17.5000 . 1 487 61 61 ALA N N 127.1300 . 1 488 62 62 GLU H H 8.4400 . 1 489 62 62 GLU HA H 4.6100 . 1 490 62 62 GLU HB2 H 1.8600 . . 491 62 62 GLU HB3 H 1.8600 . . 492 62 62 GLU HG2 H 2.1900 . . 493 62 62 GLU HG3 H 2.1900 . . 494 62 62 GLU CA C 52.8000 . 1 495 62 62 GLU CB C 27.6200 . 1 496 62 62 GLU CG C 32.9700 . 1 497 62 62 GLU N N 121.9800 . 1 498 63 63 ILE H H 8.7100 . 1 499 63 63 ILE HA H 4.7100 . 1 500 63 63 ILE HB H 1.5500 . 1 501 63 63 ILE HD1 H 0.6400 . . 502 63 63 ILE HG12 H 1.4400 . . 503 63 63 ILE HG13 H 1.4400 . . 504 63 63 ILE HG2 H 0.7300 . . 505 63 63 ILE CA C 58.4800 . 1 506 63 63 ILE CB C 37.8200 . 1 507 63 63 ILE CD1 C 11.4400 . . 508 63 63 ILE CG1 C 23.2200 . 1 509 63 63 ILE CG2 C 15.4100 . 1 510 63 63 ILE N N 125.4000 . 1 511 64 64 ALA H H 9.3500 . 1 512 64 64 ALA HA H 5.4000 . 1 513 64 64 ALA HB H 1.2800 . . 514 64 64 ALA CA C 47.4400 . 1 515 64 64 ALA CB C 19.7500 . 1 516 64 64 ALA N N 130.1800 . 1 517 65 65 PHE H H 8.1200 . 1 518 65 65 PHE HA H 5.4100 . 1 519 65 65 PHE HB2 H 2.7000 . . 520 65 65 PHE HB3 H 2.7000 . . 521 65 65 PHE CA C 53.2100 . 1 522 65 65 PHE CB C 40.4900 . 1 523 65 65 PHE N N 115.8000 . 1 524 66 66 GLU H H 8.3600 . 1 525 66 66 GLU HA H 4.7000 . 1 526 66 66 GLU HB2 H 2.1200 . . 527 66 66 GLU HB3 H 2.1200 . . 528 66 66 GLU HG2 H 2.3600 . . 529 66 66 GLU HG3 H 2.2400 . 2 530 66 66 GLU CA C 52.1000 . 1 531 66 66 GLU CB C 30.2800 . 1 532 66 66 GLU CG C 33.5400 . 1 533 66 66 GLU N N 120.3900 . 1 534 67 67 ASP H H 8.8800 . 1 535 67 67 ASP HA H 5.1200 . 1 536 67 67 ASP HB2 H 1.9200 . . 537 67 67 ASP HB3 H 2.1300 . 2 538 67 67 ASP CA C 51.0700 . 1 539 67 67 ASP CB C 38.3100 . 1 540 67 67 ASP N N 124.8600 . 1 541 68 68 ARG H H 8.3300 . 1 542 68 68 ARG HA H 4.1700 . 1 543 68 68 ARG HB2 H 2.0800 . . 544 68 68 ARG HB3 H 2.0800 . . 545 68 68 ARG HD2 H 3.2600 . . 546 68 68 ARG HD3 H 3.2600 . . 547 68 68 ARG CA C 54.1700 . 1 548 68 68 ARG CB C 27.7400 . 1 549 68 68 ARG N N 125.0100 . 1 550 69 69 LYS H H 7.9800 . 1 551 69 69 LYS HA H 4.0300 . 1 552 69 69 LYS HB2 H 2.1700 . . 553 69 69 LYS HB3 H 1.9500 . 2 554 69 69 LYS HD2 H 1.7100 . . 555 69 69 LYS HD3 H 1.7100 . . 556 69 69 LYS HE2 H 2.9500 . . 557 69 69 LYS HE3 H 2.9500 . . 558 69 69 LYS HG2 H 1.3400 . . 559 69 69 LYS HG3 H 1.8500 . 2 560 69 69 LYS CA C 55.5300 . 1 561 69 69 LYS CB C 26.2200 . 1 562 69 69 LYS CD C 30.6400 . 1 563 69 69 LYS CE C 40.0700 . 1 564 69 69 LYS CG C 22.3800 . 1 565 69 69 LYS N N 118.1100 . 1 566 70 70 ASP H H 7.9300 . 1 567 70 70 ASP HA H 4.3300 . 1 568 70 70 ASP HB2 H 1.5700 . . 569 70 70 ASP HB3 H 1.6200 . 2 570 70 70 ASP CA C 52.5400 . 1 571 70 70 ASP CB C 40.0200 . 1 572 70 70 ASP N N 116.3800 . 1 573 71 71 GLY H H 9.0800 . 1 574 71 71 GLY HA2 H 4.2000 . . 575 71 71 GLY HA3 H 3.6300 . 2 576 71 71 GLY CA C 42.4800 . 1 577 71 71 GLY N N 108.2400 . 1 578 72 72 SER H H 8.4000 . 1 579 72 72 SER HA H 5.4700 . 1 580 72 72 SER HB2 H 3.7300 . . 581 72 72 SER HB3 H 3.7300 . . 582 72 72 SER CA C 54.4400 . 1 583 72 72 SER CB C 65.1300 . 1 584 72 72 SER N N 116.9800 . 1 585 73 73 CYS H H 8.8100 . 1 586 73 73 CYS HA H 5.2100 . 1 587 73 73 CYS HB2 H 2.5900 . . 588 73 73 CYS HB3 H 2.5900 . . 589 73 73 CYS CA C 53.2400 . 1 590 73 73 CYS CB C 28.5200 . 1 591 73 73 CYS N N 114.1400 . 1 592 74 74 GLY H H 8.8800 . 1 593 74 74 GLY HA2 H 4.5400 . . 594 74 74 GLY HA3 H 3.6100 . 2 595 74 74 GLY CA C 41.6300 . 1 596 74 74 GLY N N 110.0100 . 1 597 75 75 VAL H H 8.4800 . 1 598 75 75 VAL HA H 4.5500 . 1 599 75 75 VAL HB H 1.9300 . 1 600 75 75 VAL HG1 H 0.4000 . . 601 75 75 VAL HG2 H 0.5500 . . 602 75 75 VAL CA C 57.8600 . 1 603 75 75 VAL CB C 30.5300 . 1 604 75 75 VAL CG1 C 19.2800 . 2 605 75 75 VAL CG2 C 19.3800 . 2 606 75 75 VAL N N 122.5100 . 1 607 76 76 SER H H 8.7000 . 1 608 76 76 SER HA H 5.5400 . 1 609 76 76 SER HB2 H 3.4800 . . 610 76 76 SER HB3 H 3.4800 . . 611 76 76 SER CA C 53.3600 . 1 612 76 76 SER CB C 63.1900 . 1 613 76 76 SER N N 118.9100 . 1 614 77 77 TYR H H 8.9600 . 1 615 77 77 TYR HA H 4.4200 . 1 616 77 77 TYR HB2 H 2.5800 . . 617 77 77 TYR HB3 H 2.5800 . . 618 77 77 TYR CA C 52.7800 . 1 619 77 77 TYR CB C 39.9500 . 1 620 77 77 TYR N N 118.0600 . 1 621 78 78 VAL H H 8.1600 . 1 622 78 78 VAL HA H 4.3200 . 1 623 78 78 VAL HB H 1.7000 . 1 624 78 78 VAL HG1 H 0.6500 . . 625 78 78 VAL HG2 H 0.6500 . . 626 78 78 VAL CA C 57.5100 . 1 627 78 78 VAL CB C 32.6200 . 1 628 78 78 VAL CG1 C 18.1000 . . 629 78 78 VAL CG2 C 18.1000 . . 630 78 78 VAL N N 116.8000 . 1 631 79 79 VAL H H 8.7300 . 1 632 79 79 VAL HA H 4.7600 . 1 633 79 79 VAL HB H 1.9300 . 1 634 79 79 VAL HG1 H 0.4100 . . 635 79 79 VAL HG2 H 0.2700 . . 636 79 79 VAL CA C 55.7500 . 1 637 79 79 VAL CB C 30.5300 . 1 638 79 79 VAL CG1 C 19.3400 . 2 639 79 79 VAL CG2 C 15.9600 . 2 640 79 79 VAL N N 119.7300 . 1 641 80 80 GLN H H 8.0300 . 1 642 80 80 GLN HA H 4.2400 . 1 643 80 80 GLN HB2 H 1.8500 . . 644 80 80 GLN HB3 H 2.2400 . 2 645 80 80 GLN HG2 H 2.4100 . . 646 80 80 GLN HG3 H 2.4100 . . 647 80 80 GLN CA C 53.9100 . 1 648 80 80 GLN CB C 27.1300 . 1 649 80 80 GLN CG C 30.6400 . 1 650 80 80 GLN N N 116.1500 . 1 651 81 81 GLU H H 7.0700 . 1 652 81 81 GLU HA H 5.0100 . 1 653 81 81 GLU HB2 H 2.2800 . . 654 81 81 GLU HB3 H 2.2800 . . 655 81 81 GLU HG2 H 2.3100 . . 656 81 81 GLU HG3 H 2.1800 . 2 657 81 81 GLU CA C 49.6000 . 1 658 81 81 GLU CB C 29.4100 . 1 659 81 81 GLU CG C 32.4100 . 1 660 81 81 GLU N N 113.9900 . 1 661 82 82 PRO HA H 5.0400 . 1 662 82 82 PRO HB2 H 1.9900 . . 663 82 82 PRO HB3 H 2.2800 . 2 664 82 82 PRO HD2 H 3.7800 . . 665 82 82 PRO HD3 H 4.3300 . 2 666 82 82 PRO HG2 H 2.3900 . . 667 82 82 PRO HG3 H 2.0800 . 2 668 82 82 PRO CA C 59.9100 . 1 669 82 82 PRO CB C 29.2800 . 1 670 82 82 PRO CD C 48.5900 . 1 671 82 82 PRO CG C 24.8500 . 1 672 83 83 GLY H H 8.8400 . 1 673 83 83 GLY CA C 41.7800 . 1 674 83 83 GLY N N 104.9100 . 1 675 84 84 ASP H H 8.2500 . 1 676 84 84 ASP HA H 5.2600 . 1 677 84 84 ASP HB2 H 2.3700 . . 678 84 84 ASP HB3 H 2.2200 . 2 679 84 84 ASP CA C 51.5400 . 1 680 84 84 ASP CB C 38.7000 . 1 681 84 84 ASP N N 118.8000 . 1 682 85 85 TYR H H 8.8100 . 1 683 85 85 TYR HA H 3.9700 . 1 684 85 85 TYR HB2 H 2.9000 . . 685 85 85 TYR HB3 H 2.6600 . 2 686 85 85 TYR CA C 53.9300 . 1 687 85 85 TYR CB C 37.7600 . 1 688 85 85 TYR N N 121.6300 . 1 689 86 86 GLU H H 9.3200 . 1 690 86 86 GLU HA H 5.2600 . 1 691 86 86 GLU HB2 H 2.0400 . . 692 86 86 GLU HB3 H 2.0400 . . 693 86 86 GLU HG2 H 2.0800 . . 694 86 86 GLU HG3 H 1.9500 . 2 695 86 86 GLU CA C 52.3500 . 1 696 86 86 GLU CB C 30.0700 . 1 697 86 86 GLU CG C 35.1700 . 1 698 86 86 GLU N N 120.4200 . 1 699 87 87 VAL H H 9.8100 . 1 700 87 87 VAL HA H 4.9900 . 1 701 87 87 VAL HB H 1.9500 . 1 702 87 87 VAL HG1 H 0.6100 . . 703 87 87 VAL HG2 H 0.4900 . . 704 87 87 VAL CA C 58.5900 . 1 705 87 87 VAL CB C 30.2100 . 1 706 87 87 VAL CG1 C 17.2100 . 2 707 87 87 VAL CG2 C 16.8500 . 2 708 87 87 VAL N N 129.2000 . 1 709 88 88 SER H H 9.5600 . 1 710 88 88 SER HA H 5.1700 . 1 711 88 88 SER HB2 H 3.8000 . . 712 88 88 SER HB3 H 3.8000 . . 713 88 88 SER CA C 55.1700 . 1 714 88 88 SER CB C 62.7900 . 1 715 88 88 SER N N 121.7300 . 1 716 89 89 ILE H H 9.5700 . 1 717 89 89 ILE HA H 4.9200 . 1 718 89 89 ILE HB H 1.6300 . 1 719 89 89 ILE HD1 H 0.6600 . . 720 89 89 ILE HG12 H 1.3800 . . 721 89 89 ILE HG13 H 1.0000 . 2 722 89 89 ILE HG2 H 0.7800 . . 723 89 89 ILE CA C 57.0200 . 1 724 89 89 ILE CB C 38.1200 . 1 725 89 89 ILE CD1 C 13.1000 . 1 726 89 89 ILE CG1 C 25.9700 . 1 727 89 89 ILE CG2 C 15.2500 . 1 728 89 89 ILE N N 125.6500 . 1 729 90 90 LYS H H 8.7600 . 1 730 90 90 LYS HA H 5.1300 . 1 731 90 90 LYS HB2 H 1.5300 . . 732 90 90 LYS HB3 H 1.0200 . 2 733 90 90 LYS HD2 H 2.1300 . . 734 90 90 LYS HD3 H 2.1300 . . 735 90 90 LYS HE2 H 2.1400 . . 736 90 90 LYS HE3 H 1.9300 . 2 737 90 90 LYS HG2 H 0.9500 . . 738 90 90 LYS HG3 H 0.1700 . 2 739 90 90 LYS CA C 50.9800 . 1 740 90 90 LYS CB C 33.8500 . 1 741 90 90 LYS CD C 26.1500 . 1 742 90 90 LYS CE C 38.4700 . 1 743 90 90 LYS CG C 21.4600 . 1 744 90 90 LYS N N 122.1700 . 1 745 91 91 PHE H H 9.0400 . 1 746 91 91 PHE HA H 5.3300 . 1 747 91 91 PHE HB2 H 2.8300 . . 748 91 91 PHE HB3 H 2.8300 . . 749 91 91 PHE CA C 53.1900 . 1 750 91 91 PHE CB C 40.2000 . 1 751 91 91 PHE N N 120.9900 . 1 752 92 92 ASN H H 9.2100 . 1 753 92 92 ASN HA H 4.2200 . 1 754 92 92 ASN HB2 H 2.7200 . . 755 92 92 ASN HB3 H 2.7200 . . 756 92 92 ASN CA C 51.4800 . 1 757 92 92 ASN CB C 33.6100 . 1 758 92 92 ASN N N 127.0100 . 1 759 93 93 ASP H H 8.7600 . 1 760 93 93 ASP HA H 3.9700 . 1 761 93 93 ASP HB2 H 2.6600 . . 762 93 93 ASP HB3 H 2.9000 . 2 763 93 93 ASP CA C 53.9200 . 1 764 93 93 ASP CB C 38.0600 . 1 765 93 93 ASP N N 107.2200 . 1 766 94 94 GLU H H 7.5000 . 1 767 94 94 GLU HA H 4.7000 . 1 768 94 94 GLU HB2 H 1.9400 . . 769 94 94 GLU HB3 H 1.9400 . . 770 94 94 GLU HG2 H 2.3700 . . 771 94 94 GLU CA C 51.9400 . 1 772 94 94 GLU CB C 29.6800 . 1 773 94 94 GLU CG C 33.4100 . 1 774 94 94 GLU N N 117.8300 . 1 775 95 95 HIS H H 8.7700 . 1 776 95 95 HIS HA H 4.4800 . 1 777 95 95 HIS HB2 H 3.1700 . . 778 95 95 HIS HB3 H 3.1700 . . 779 95 95 HIS CA C 56.5300 . 1 780 95 95 HIS CB C 29.6900 . 1 781 95 95 HIS N N 121.9100 . 1 782 96 96 ILE H H 8.1100 . 1 783 96 96 ILE HA H 4.3100 . 1 784 96 96 ILE HB H 1.7000 . 1 785 96 96 ILE CA C 57.5200 . 1 786 96 96 ILE CB C 32.7200 . 1 787 96 96 ILE N N 116.3700 . 1 788 97 97 PRO CA C 63.5000 . 1 789 97 97 PRO CB C 28.6900 . 1 790 97 97 PRO CD C 48.5300 . 1 791 97 97 PRO CG C 18.2800 . 1 792 98 98 ASP H H 7.9400 . 1 793 98 98 ASP HA H 5.0100 . 1 794 98 98 ASP HB2 H 2.4700 . . 795 98 98 ASP HB3 H 2.9000 . 2 796 98 98 ASP CA C 54.5100 . 1 797 98 98 ASP CB C 37.7600 . 1 798 98 98 ASP N N 113.4400 . 1 799 99 99 SER H H 7.4700 . 1 800 99 99 SER HA H 4.2300 . 1 801 99 99 SER HB2 H 3.6800 . . 802 99 99 SER HB3 H 3.6800 . . 803 99 99 SER CA C 52.3700 . 1 804 99 99 SER CB C 60.4300 . 1 805 99 99 SER N N 110.6800 . 1 806 100 100 PRO HA H 4.5500 . 1 807 100 100 PRO HB2 H 2.0500 . . 808 100 100 PRO HB3 H 2.3200 . 2 809 100 100 PRO HD2 H 3.4900 . . 810 100 100 PRO HD3 H 3.4900 . . 811 100 100 PRO HG2 H 1.8500 . . 812 100 100 PRO HG3 H 1.8500 . . 813 100 100 PRO CA C 59.9200 . 1 814 100 100 PRO CB C 31.8800 . 1 815 100 100 PRO CD C 47.2900 . 1 816 100 100 PRO CG C 21.9800 . 1 817 101 101 PHE H H 9.2700 . 1 818 101 101 PHE HA H 4.5600 . 1 819 101 101 PHE HB2 H 2.8700 . . 820 101 101 PHE HB3 H 2.8700 . . 821 101 101 PHE CA C 54.0600 . 1 822 101 101 PHE CB C 37.9300 . 1 823 101 101 PHE N N 119.1800 . 1 824 102 102 VAL H H 8.7600 . 1 825 102 102 VAL HA H 4.5800 . 1 826 102 102 VAL HB H 1.9500 . 1 827 102 102 VAL HG1 H 0.8800 . . 828 102 102 VAL HG2 H 0.7800 . . 829 102 102 VAL CA C 60.4000 . 1 830 102 102 VAL CB C 28.9700 . 1 831 102 102 VAL CG1 C 18.5800 . 2 832 102 102 VAL CG2 C 18.2300 . 2 833 102 102 VAL N N 123.1200 . 1 834 103 103 VAL H H 9.5200 . 1 835 103 103 VAL HA H 4.3900 . 1 836 103 103 VAL HB H 1.9600 . 1 837 103 103 VAL HG1 H 0.9100 . . 838 103 103 VAL HG2 H 0.8900 . . 839 103 103 VAL CA C 57.2000 . 1 840 103 103 VAL CB C 32.0600 . 1 841 103 103 VAL CG1 C 17.8600 . 2 842 103 103 VAL CG2 C 17.7500 . 2 843 103 103 VAL N N 130.3300 . 1 844 104 104 PRO HA H 4.3700 . 1 845 104 104 PRO HD2 H 3.7800 . . 846 104 104 PRO HD3 H 3.7800 . . 847 104 104 PRO CA C 60.2400 . 1 848 104 104 PRO CB C 29.6600 . 1 849 104 104 PRO CD C 48.5300 . 1 850 104 104 PRO CG C 24.7800 . 1 851 105 105 VAL H H 9.3000 . 1 852 105 105 VAL HA H 4.3000 . 1 853 105 105 VAL HB H 2.3900 . 1 854 105 105 VAL HG1 H 0.5500 . . 855 105 105 VAL HG2 H 0.6500 . . 856 105 105 VAL CA C 59.2100 . 1 857 105 105 VAL CB C 28.8400 . 1 858 105 105 VAL CG1 C 18.4700 . 2 859 105 105 VAL CG2 C 18.3300 . 2 860 105 105 VAL N N 126.3200 . 1 861 106 106 ALA H H 8.3600 . 1 862 106 106 ALA HA H 4.6600 . 1 863 106 106 ALA HB H 1.5900 . . 864 106 106 ALA CA C 48.3400 . 1 865 106 106 ALA CB C 18.9600 . 1 866 106 106 ALA N N 130.5500 . 1 867 107 107 SER H H 8.5900 . 1 868 107 107 SER HA H 4.4900 . 1 869 107 107 SER HB2 H 3.8200 . . 870 107 107 SER HB3 H 3.8200 . . 871 107 107 SER CA C 55.5700 . 1 872 107 107 SER CB C 61.7600 . 1 873 107 107 SER N N 112.3400 . 1 874 108 108 LEU H H 8.6600 . 1 875 108 108 LEU HA H 4.3000 . 1 876 108 108 LEU HB2 H 1.6100 . . 877 108 108 LEU HB3 H 1.6100 . . 878 108 108 LEU HD1 H 0.8900 . . 879 108 108 LEU HD2 H 0.8200 . . 880 108 108 LEU HG H 1.6000 . 1 881 108 108 LEU CA C 53.2500 . 1 882 108 108 LEU CB C 39.6500 . 1 883 108 108 LEU CD1 C 22.1400 . 2 884 108 108 LEU CD2 C 20.4700 . 2 885 108 108 LEU CG C 24.2200 . 1 886 108 108 LEU N N 123.2000 . 1 887 109 109 SER H H 8.2100 . 1 888 109 109 SER HA H 4.3700 . 1 889 109 109 SER HB2 H 3.8400 . . 890 109 109 SER HB3 H 3.8400 . . 891 109 109 SER CA C 55.8100 . 1 892 109 109 SER CB C 61.2400 . 1 893 109 109 SER N N 114.7100 . 1 894 110 110 ASP H H 8.2400 . 1 895 110 110 ASP HA H 4.5000 . 1 896 110 110 ASP HB2 H 2.6400 . . 897 110 110 ASP HB3 H 2.6400 . . 898 110 110 ASP CA C 52.7400 . 1 899 110 110 ASP CB C 38.2600 . 1 900 110 110 ASP N N 121.0300 . 1 901 111 111 ASP H H 8.2100 . 1 902 111 111 ASP HA H 4.5000 . 1 903 111 111 ASP HB2 H 2.6400 . . 904 111 111 ASP HB3 H 2.6400 . . 905 111 111 ASP CA C 52.7700 . 1 906 111 111 ASP CB C 38.2900 . 1 907 111 111 ASP N N 118.9100 . 1 908 112 112 ALA H H 8.0500 . 1 909 112 112 ALA HA H 4.1700 . 1 910 112 112 ALA HB H 1.4000 . . 911 112 112 ALA CA C 50.7100 . 1 912 112 112 ALA CB C 16.1100 . 1 913 112 112 ALA N N 121.6000 . 1 914 113 113 ARG H H 7.9600 . 1 915 113 113 ARG HA H 4.0300 . 1 916 113 113 ARG HB2 H 1.9200 . . 917 113 113 ARG HB3 H 2.1700 . 2 918 113 113 ARG HD2 H 2.9600 . . 919 113 113 ARG HG2 H 1.3100 . . 920 113 113 ARG HG3 H 1.3100 . . 921 113 113 ARG CA C 55.2000 . 1 922 113 113 ARG CB C 27.7300 . 1 923 113 113 ARG CD C 39.3300 . 1 924 113 113 ARG CG C 22.1100 . 1 925 113 113 ARG N N 116.6400 . 1 926 114 114 ARG H H 7.9300 . 1 927 114 114 ARG HA H 4.0000 . 1 928 114 114 ARG HB2 H 1.8500 . . 929 114 114 ARG HB3 H 1.7100 . 2 930 114 114 ARG HD2 H 3.0400 . . 931 114 114 ARG HD3 H 3.0400 . . 932 114 114 ARG HG2 H 1.3500 . . 933 114 114 ARG HG3 H 1.3500 . . 934 114 114 ARG CA C 53.9400 . 1 935 114 114 ARG CB C 30.5500 . 1 936 114 114 ARG CD C 39.2600 . 1 937 114 114 ARG CG C 22.3800 . 1 938 114 114 ARG N N 116.3800 . 1 939 115 115 LEU H H 8.0000 . 1 940 115 115 LEU HA H 4.3200 . 1 941 115 115 LEU HB2 H 1.6400 . . 942 115 115 LEU HB3 H 1.6400 . . 943 115 115 LEU HD1 H 0.8800 . . 944 115 115 LEU HD2 H 0.8100 . . 945 115 115 LEU HG H 1.6000 . 1 946 115 115 LEU CA C 52.8700 . 1 947 115 115 LEU CB C 39.6400 . 1 948 115 115 LEU CD1 C 22.1400 . 2 949 115 115 LEU CD2 C 20.4100 . 2 950 115 115 LEU CG C 24.1400 . 1 951 115 115 LEU N N 120.2600 . 1 952 116 116 THR H H 7.9700 . 1 953 116 116 THR HA H 4.3900 . 1 954 116 116 THR HB H 4.2300 . 1 955 116 116 THR HG2 H 1.1500 . . 956 116 116 THR CA C 59.2700 . 1 957 116 116 THR CB C 67.4200 . 1 958 116 116 THR CG2 C 18.3600 . . 959 116 116 THR N N 113.2500 . 1 960 117 117 VAL H H 8.0700 . 1 961 117 117 VAL HA H 4.3300 . 1 962 117 117 VAL HB H 2.0800 . 1 963 117 117 VAL HG2 H 0.9200 . . 964 117 117 VAL CA C 60.2300 . 1 965 117 117 VAL CB C 30.3600 . 1 966 117 117 VAL CG2 C 17.9500 . 2 967 117 117 VAL N N 120.9900 . 1 968 118 118 THR H H 8.2100 . 1 969 118 118 THR HA H 4.3800 . 1 970 118 118 THR HB H 4.2300 . 1 971 118 118 THR HG2 H 1.1600 . . 972 118 118 THR CA C 58.7700 . 1 973 118 118 THR CB C 67.4200 . 1 974 118 118 THR CG2 C 18.3600 . 1 975 118 118 THR N N 116.4200 . 1 976 119 119 SER H H 7.9100 . 1 977 119 119 SER HA H 4.2300 . 1 978 119 119 SER HB2 H 3.8000 . . 979 119 119 SER CA C 57.3900 . 1 980 119 119 SER CB C 62.2500 . 1 981 119 119 SER N N 122.1700 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 6 6 GLU H H 8.78 . 1 2 6 6 GLU HA H 4.16 . 1 3 6 6 GLU HB2 H 2.26 . . 4 6 6 GLU HB3 H 2.26 . . 5 6 6 GLU HG2 H 1.92 . . 6 6 6 GLU HG3 H 1.92 . . 7 8 8 ARG H H 8.20 . 1 8 8 8 ARG HA H 4.21 . 1 9 8 8 ARG HB2 H 1.88 . . 10 8 8 ARG HB3 H 1.88 . . 11 8 8 ARG HD2 H 3.15 . . 12 8 8 ARG HG2 H 1.56 . . 13 8 8 ARG HG3 H 1.75 . 2 14 9 9 VAL H H 9.00 . 1 15 9 9 VAL HA H 4.07 . 1 16 9 9 VAL HB H 2.01 . 1 17 9 9 VAL HG1 H 0.87 . . 18 9 9 VAL HG2 H 1.28 . . 19 10 10 ALA HB H 1.34 . . 20 11 11 SER H H 8.49 . 1 21 11 11 SER HB2 H 3.80 . . 22 11 11 SER HB3 H 3.88 . 2 23 12 12 SER HA H 4.41 . 1 24 12 12 SER HB2 H 3.72 . . 25 12 12 SER HB3 H 3.72 . . 26 13 13 VAL H H 8.80 . 1 27 13 13 VAL HA H 4.01 . 1 28 13 13 VAL HB H 1.92 . 1 29 13 13 VAL HG1 H 0.74 . . 30 13 13 VAL HG2 H 0.74 . . 31 14 14 PHE HA H 4.62 . 1 32 14 14 PHE HB2 H 2.82 . . 33 14 14 PHE HB3 H 3.08 . 2 34 14 14 PHE HE1 H 7.05 . 3 35 14 14 PHE HE2 H 7.1700 . 3 36 15 15 ILE H H 8.71 . 1 37 15 15 ILE HA H 4.14 . 1 38 15 15 ILE HB H 1.74 . 1 39 15 15 ILE HD1 H 0.34 . . 40 15 15 ILE HG12 H 1.2 . . 41 15 15 ILE HG13 H 1.09 . 2 42 15 15 ILE HG2 H 0.78 . . 43 16 16 THR HA H 4.22 . 1 44 16 16 THR HB H 4.10 . 1 45 16 16 THR HG2 H 1.13 . . 46 17 17 LEU H H 8.27 . 1 47 17 17 LEU HA H 4.13 . 1 48 17 17 LEU HB2 H 1.72 . . 49 17 17 LEU HB3 H 1.72 . . 50 17 17 LEU HD1 H 0.74 . . 51 17 17 LEU HD2 H 0.74 . . 52 17 17 LEU HG H 1.52 . 1 53 18 18 ALA HA H 4.5 . 1 54 18 18 ALA HB H 1.27 . . 55 19 19 PRO HB2 H 2.25 . . 56 19 19 PRO HB3 H 2.25 . 2 57 19 19 PRO HD2 H 3.60 . . 58 19 19 PRO HD3 H 3.68 . 2 stop_ save_