data_7293 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments for recoverin bound to rhodopsin kinase ; _BMRB_accession_number 7293 _BMRB_flat_file_name bmr7293.str _Entry_type original _Submission_date 2006-09-11 _Accession_date 2006-09-12 _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 Ames James B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 376 "13C chemical shifts" 383 "15N chemical shifts" 187 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-12-20 original author . stop_ _Original_release_date 2006-12-20 save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis for Calcium-induced Inhibition of Rhodopsin Kinase by Recoverin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17020884 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ames James B. . 2 Levay K. B. . 3 Wingard J. N. . 4 Lusin J. D. . 5 Slepak V. Z. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 281 _Journal_issue 48 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 37237 _Page_last 37245 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'recoverin bound to rhodopsin kinase fragment (RK25)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label recoverin $recoverin rk25 $rhodopsin_kinase_fragment_(RK25) 'CALCIUM (II) ION 1' $entity_CA 'CALCIUM (II) ION 2' $entity_CA 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_recoverin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common recoverin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 202 _Mol_residue_sequence ; MGNSKSGALSKEILEELQLN TKFTEEELSSWYQSFLKECP SGRITRQEFQTIYSKFFPEA DPKAYAQHVFRSFDANSDGT LDFKEYVIALHMTSAGKTNQ KLEWAFSLYDVDGNGTISKN EVLEIVTAIFKMISPEDTKH LPEDENTPEKRAEKIWGFFG KKDDDKLTEKEFIEGTLANK EILRLIQFEPQKVKEKLKEK KL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ASN 4 SER 5 LYS 6 SER 7 GLY 8 ALA 9 LEU 10 SER 11 LYS 12 GLU 13 ILE 14 LEU 15 GLU 16 GLU 17 LEU 18 GLN 19 LEU 20 ASN 21 THR 22 LYS 23 PHE 24 THR 25 GLU 26 GLU 27 GLU 28 LEU 29 SER 30 SER 31 TRP 32 TYR 33 GLN 34 SER 35 PHE 36 LEU 37 LYS 38 GLU 39 CYS 40 PRO 41 SER 42 GLY 43 ARG 44 ILE 45 THR 46 ARG 47 GLN 48 GLU 49 PHE 50 GLN 51 THR 52 ILE 53 TYR 54 SER 55 LYS 56 PHE 57 PHE 58 PRO 59 GLU 60 ALA 61 ASP 62 PRO 63 LYS 64 ALA 65 TYR 66 ALA 67 GLN 68 HIS 69 VAL 70 PHE 71 ARG 72 SER 73 PHE 74 ASP 75 ALA 76 ASN 77 SER 78 ASP 79 GLY 80 THR 81 LEU 82 ASP 83 PHE 84 LYS 85 GLU 86 TYR 87 VAL 88 ILE 89 ALA 90 LEU 91 HIS 92 MET 93 THR 94 SER 95 ALA 96 GLY 97 LYS 98 THR 99 ASN 100 GLN 101 LYS 102 LEU 103 GLU 104 TRP 105 ALA 106 PHE 107 SER 108 LEU 109 TYR 110 ASP 111 VAL 112 ASP 113 GLY 114 ASN 115 GLY 116 THR 117 ILE 118 SER 119 LYS 120 ASN 121 GLU 122 VAL 123 LEU 124 GLU 125 ILE 126 VAL 127 THR 128 ALA 129 ILE 130 PHE 131 LYS 132 MET 133 ILE 134 SER 135 PRO 136 GLU 137 ASP 138 THR 139 LYS 140 HIS 141 LEU 142 PRO 143 GLU 144 ASP 145 GLU 146 ASN 147 THR 148 PRO 149 GLU 150 LYS 151 ARG 152 ALA 153 GLU 154 LYS 155 ILE 156 TRP 157 GLY 158 PHE 159 PHE 160 GLY 161 LYS 162 LYS 163 ASP 164 ASP 165 ASP 166 LYS 167 LEU 168 THR 169 GLU 170 LYS 171 GLU 172 PHE 173 ILE 174 GLU 175 GLY 176 THR 177 LEU 178 ALA 179 ASN 180 LYS 181 GLU 182 ILE 183 LEU 184 ARG 185 LEU 186 ILE 187 GLN 188 PHE 189 GLU 190 PRO 191 GLN 192 LYS 193 VAL 194 LYS 195 GLU 196 LYS 197 LEU 198 LYS 199 GLU 200 LYS 201 LYS 202 LEU 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 2I94 "Nmr Structure Of Recoverin Bound To Rhodopsin Kinase" 100.00 25 100.00 100.00 7.87e-07 PDB 3C4X "Crystal Structure Of G Protein Coupled Receptor Kinase 1 Bound To Atp And Magnesium Chloride At 2.9a" 100.00 543 100.00 100.00 1.43e-06 PDB 3C4Y "Crystal Structure Of Apo Form Of G Protein Coupled Receptor Kinase 1 At 7.51a" 100.00 543 100.00 100.00 1.43e-06 PDB 3C4Z "Crystal Structure Of G Protein Coupled Receptor Kinase 1 Bound To Adp And Magnesium Chloride At 1.84a" 100.00 543 100.00 100.00 1.43e-06 PDB 3C50 "Crystal Structure Of G Protein Coupled Receptor Kinase 1 Bound To Adp And Magnesium Chloride At 2.6a" 100.00 543 100.00 100.00 1.43e-06 PDB 3C51 "Crystal Structure Of G Protein Coupled Receptor Kinase 1 Bound To Adp And Magnesium Chloride At 3.55a" 100.00 543 100.00 100.00 1.43e-06 PDB 3T8O "Rhodopsin Kinase (grk1) L166k Mutant At 2.5a Resolution" 100.00 543 100.00 100.00 1.40e-06 PDB 4PNI "Bovine G Protein-coupled Receptor Kinase 1 In Complex With Gsk2163632a" 100.00 561 100.00 100.00 2.60e-06 PDB 4UYC "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With Rhodopsin Kinase Peptide From Homo Sapiens" 100.00 25 100.00 100.00 7.87e-07 PDB 4WBO "Bovine G Protein Coupled Receptor Kinase 1 In Complex With Amlexanox" 100.00 541 100.00 100.00 1.40e-06 GB AAA30752 "rhodopsin kinase [Bos taurus]" 100.00 561 100.00 100.00 2.60e-06 GB ELR45456 "Rhodopsin kinase [Bos mutus]" 100.00 561 100.00 100.00 2.65e-06 REF NP_776598 "rhodopsin kinase precursor [Bos taurus]" 100.00 561 100.00 100.00 2.60e-06 REF XP_001364656 "PREDICTED: rhodopsin kinase [Monodelphis domestica]" 100.00 565 100.00 100.00 8.50e-07 REF XP_003765754 "PREDICTED: rhodopsin kinase [Sarcophilus harrisii]" 100.00 565 100.00 100.00 1.29e-06 REF XP_005910585 "PREDICTED: rhodopsin kinase [Bos mutus]" 100.00 561 100.00 100.00 2.65e-06 REF XP_005963795 "PREDICTED: rhodopsin kinase [Pantholops hodgsonii]" 100.00 561 100.00 100.00 2.57e-06 SP P28327 "RecName: Full=Rhodopsin kinase; Short=RK; AltName: Full=G protein-coupled receptor kinase 1; Flags: Precursor [Bos taurus]" 100.00 561 100.00 100.00 2.60e-06 TPG DAA23691 "TPA: rhodopsin kinase precursor [Bos taurus]" 100.00 561 100.00 100.00 2.60e-06 stop_ save_ save_rhodopsin_kinase_fragment_(RK25) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rk25 _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 25 _Mol_residue_sequence ; MDFGSLETVVANSAFIAARG SFDAS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 PHE 4 GLY 5 SER 6 LEU 7 GLU 8 THR 9 VAL 10 VAL 11 ALA 12 ASN 13 SER 14 ALA 15 PHE 16 ILE 17 ALA 18 ALA 19 ARG 20 GLY 21 SER 22 PHE 23 ASP 24 ALA 25 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $recoverin Bovine 9913 Eukaryota Metazoa Bos Taurus $rhodopsin_kinase_fragment_(RK25) Bovine 9913 Eukaryota Metazoa Bos Taurus 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 $recoverin 'recombinant technology' 'E. coli' . . . . $rhodopsin_kinase_fragment_(RK25) 'recombinant technology' 'E. coli' . . . . 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 $recoverin 0.5 mM '[U-95% 13C; U-90% 15N]' $rhodopsin_kinase_fragment_(RK25) 0.5 mM '[U-95%; U-90% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance DRX' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_HNCOCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label $sample_1 save_ save_HBHACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $sample_1 save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCACONH _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCOCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHACONH _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 0.1 mM pH 7.0 0.2 pH temperature 310 0.1 K 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $1 $1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $1 $1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $1 $1 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 recoverin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY H H 8.34 0.04 1 2 7 7 GLY HA2 H 4.00 0.04 2 3 7 7 GLY C C 173.39 0.2 1 4 7 7 GLY CA C 45.57 0.2 1 5 7 7 GLY N N 111.13 0.2 1 6 8 8 ALA H H 7.96 0.04 1 7 8 8 ALA HA H 4.50 0.04 1 8 8 8 ALA C C 177.26 0.2 1 9 8 8 ALA CA C 52.05 0.2 1 10 8 8 ALA N N 123.46 0.2 1 11 9 9 LEU H H 8.08 0.04 1 12 9 9 LEU HA H 3.98 0.04 1 13 9 9 LEU C C 176.15 0.2 1 14 9 9 LEU CA C 54.33 0.2 1 15 9 9 LEU N N 122.51 0.2 1 16 10 10 SER H H 7.85 0.04 1 17 10 10 SER HA H 3.99 0.04 1 18 10 10 SER C C 174.77 0.2 1 19 10 10 SER CA C 57.70 0.2 1 20 10 10 SER N N 119.89 0.2 1 21 11 11 LYS H H 8.70 0.04 1 22 11 11 LYS HA H 3.97 0.04 1 23 11 11 LYS C C 178.05 0.2 1 24 11 11 LYS CA C 59.46 0.2 1 25 11 11 LYS N N 124.51 0.2 1 26 12 12 GLU H H 8.90 0.04 1 27 12 12 GLU HA H 4.10 0.04 1 28 12 12 GLU C C 179.54 0.2 1 29 12 12 GLU CA C 60.25 0.2 1 30 12 12 GLU N N 117.75 0.2 1 31 13 13 ILE H H 7.42 0.04 1 32 13 13 ILE HA H 3.90 0.04 1 33 13 13 ILE C C 177.58 0.2 1 34 13 13 ILE CA C 64.01 0.2 1 35 13 13 ILE N N 121.49 0.2 1 36 14 14 LEU H H 8.00 0.04 1 37 14 14 LEU HA H 3.89 0.04 1 38 14 14 LEU C C 178.96 0.2 1 39 14 14 LEU CA C 59.01 0.2 1 40 14 14 LEU N N 121.37 0.2 1 41 15 15 GLU H H 8.45 0.04 1 42 15 15 GLU HA H 4.00 0.04 1 43 15 15 GLU C C 179.12 0.2 1 44 15 15 GLU CA C 59.77 0.2 1 45 15 15 GLU N N 117.99 0.2 1 46 16 16 GLU H H 7.60 0.04 1 47 16 16 GLU HA H 4.07 0.04 1 48 16 16 GLU C C 179.79 0.2 1 49 16 16 GLU CA C 59.71 0.2 1 50 16 16 GLU N N 120.00 0.2 1 51 17 17 LEU H H 8.49 0.04 1 52 17 17 LEU HA H 4.11 0.04 1 53 17 17 LEU C C 180.25 0.2 1 54 17 17 LEU CA C 59.31 0.2 1 55 17 17 LEU N N 118.40 0.2 1 56 18 18 GLN H H 8.52 0.04 1 57 18 18 GLN HA H 4.13 0.04 1 58 18 18 GLN C C 178.07 0.2 1 59 18 18 GLN CA C 59.21 0.2 1 60 18 18 GLN N N 121.41 0.2 1 61 19 19 LEU H H 7.78 0.04 1 62 19 19 LEU HA H 4.23 0.04 1 63 19 19 LEU C C 178.64 0.2 1 64 19 19 LEU CA C 57.28 0.2 1 65 19 19 LEU N N 118.86 0.2 1 66 20 20 ASN H H 7.45 0.04 1 67 20 20 ASN HA H 4.72 0.04 1 68 20 20 ASN C C 174.32 0.2 1 69 20 20 ASN CA C 54.45 0.2 1 70 20 20 ASN N N 113.97 0.2 1 71 21 21 THR H H 7.52 0.04 1 72 21 21 THR HA H 3.72 0.04 1 73 21 21 THR C C 173.03 0.2 1 74 21 21 THR CA C 60.67 0.2 1 75 21 21 THR N N 109.31 0.2 1 76 22 22 LYS H H 7.73 0.04 1 77 22 22 LYS HA H 4.42 0.04 1 78 22 22 LYS C C 177.00 0.2 1 79 22 22 LYS CA C 55.36 0.2 1 80 22 22 LYS N N 115.72 0.2 1 81 23 23 PHE H H 7.57 0.04 1 82 23 23 PHE HA H 5.00 0.04 1 83 23 23 PHE C C 176.13 0.2 1 84 23 23 PHE CA C 56.72 0.2 1 85 23 23 PHE N N 120.94 0.2 1 86 24 24 THR H H 9.26 0.04 1 87 24 24 THR HA H 3.78 0.04 1 88 24 24 THR C C 175.35 0.2 1 89 24 24 THR CA C 60.71 0.2 1 90 24 24 THR N N 112.70 0.2 1 91 25 25 GLU H H 8.82 0.04 1 92 25 25 GLU HA H 3.80 0.04 1 93 25 25 GLU C C 178.35 0.2 1 94 25 25 GLU CA C 60.55 0.2 1 95 25 25 GLU N N 121.29 0.2 1 96 26 26 GLU H H 8.61 0.04 1 97 26 26 GLU HA H 4.07 0.04 1 98 26 26 GLU C C 179.53 0.2 1 99 26 26 GLU CA C 60.05 0.2 1 100 26 26 GLU N N 119.65 0.2 1 101 27 27 GLU H H 7.53 0.04 1 102 27 27 GLU HA H 3.88 0.04 1 103 27 27 GLU C C 178.80 0.2 1 104 27 27 GLU CA C 58.99 0.2 1 105 27 27 GLU N N 121.32 0.2 1 106 28 28 LEU H H 8.50 0.04 1 107 28 28 LEU HA H 4.13 0.04 1 108 28 28 LEU C C 178.95 0.2 1 109 28 28 LEU CA C 58.41 0.2 1 110 28 28 LEU N N 119.40 0.2 1 111 29 29 SER H H 8.40 0.04 1 112 29 29 SER HA H 4.00 0.04 1 113 29 29 SER C C 177.06 0.2 1 114 29 29 SER CA C 62.53 0.2 1 115 29 29 SER N N 113.42 0.2 1 116 30 30 SER H H 7.95 0.04 1 117 30 30 SER HA H 4.05 0.04 1 118 30 30 SER C C 177.92 0.2 1 119 30 30 SER CA C 62.00 0.2 1 120 30 30 SER N N 118.01 0.2 1 121 31 31 TRP H H 8.98 0.04 1 122 31 31 TRP HA H 4.88 0.04 1 123 31 31 TRP C C 178.07 0.2 1 124 31 31 TRP CA C 58.03 0.2 1 125 31 31 TRP N N 124.24 0.2 1 126 32 32 TYR H H 8.65 0.04 1 127 32 32 TYR HA H 3.68 0.04 1 128 32 32 TYR C C 176.70 0.2 1 129 32 32 TYR CA C 60.88 0.2 1 130 32 32 TYR N N 121.71 0.2 1 131 33 33 GLN H H 7.43 0.04 1 132 33 33 GLN HA H 3.85 0.04 1 133 33 33 GLN C C 179.58 0.2 1 134 33 33 GLN CA C 58.78 0.2 1 135 33 33 GLN N N 115.64 0.2 1 136 34 34 SER H H 7.92 0.04 1 137 34 34 SER HA H 4.26 0.04 1 138 34 34 SER C C 176.27 0.2 1 139 34 34 SER CA C 62.90 0.2 1 140 34 34 SER N N 115.59 0.2 1 141 35 35 PHE H H 8.88 0.04 1 142 35 35 PHE HA H 4.30 0.04 1 143 35 35 PHE C C 176.12 0.2 1 144 35 35 PHE CA C 61.65 0.2 1 145 35 35 PHE N N 126.30 0.2 1 146 36 36 LEU H H 7.90 0.04 1 147 36 36 LEU HA H 3.82 0.04 1 148 36 36 LEU C C 179.26 0.2 1 149 36 36 LEU CA C 55.99 0.2 1 150 36 36 LEU N N 117.69 0.2 1 151 37 37 LYS H H 7.23 0.04 1 152 37 37 LYS HA H 3.97 0.04 1 153 37 37 LYS C C 178.01 0.2 1 154 37 37 LYS CA C 59.20 0.2 1 155 37 37 LYS N N 117.82 0.2 1 156 38 38 GLU H H 7.55 0.04 1 157 38 38 GLU HA H 4.19 0.04 1 158 38 38 GLU C C 176.97 0.2 1 159 38 38 GLU CA C 58.07 0.2 1 160 38 38 GLU N N 116.10 0.2 1 161 39 39 CYS H H 8.30 0.04 1 162 39 39 CYS HA H 4.64 0.04 1 163 39 39 CYS CA C 57.27 0.2 1 164 39 39 CYS N N 118.73 0.2 1 165 40 40 PRO HA H 4.55 0.04 1 166 40 40 PRO C C 178.33 0.2 1 167 40 40 PRO CA C 64.99 0.2 1 168 41 41 SER H H 8.30 0.04 1 169 41 41 SER HA H 4.06 0.04 1 170 41 41 SER C C 176.28 0.2 1 171 41 41 SER CA C 59.28 0.2 1 172 41 41 SER N N 112.12 0.2 1 173 42 42 GLY H H 8.78 0.04 1 174 42 42 GLY HA2 H 4.31 0.04 2 175 42 42 GLY C C 172.45 0.2 1 176 42 42 GLY CA C 45.70 0.2 1 177 42 42 GLY N N 111.45 0.2 1 178 43 43 ARG H H 7.59 0.04 1 179 43 43 ARG HA H 5.22 0.04 1 180 43 43 ARG C C 173.93 0.2 1 181 43 43 ARG CA C 54.22 0.2 1 182 43 43 ARG N N 116.84 0.2 1 183 44 44 ILE H H 9.02 0.04 1 184 44 44 ILE HA H 4.63 0.04 1 185 44 44 ILE C C 176.55 0.2 1 186 44 44 ILE CA C 59.70 0.2 1 187 44 44 ILE N N 121.18 0.2 1 188 45 45 THR H H 8.71 0.04 1 189 45 45 THR HA H 4.76 0.04 1 190 45 45 THR C C 175.05 0.2 1 191 45 45 THR CA C 60.94 0.2 1 192 45 45 THR N N 117.68 0.2 1 193 46 46 ARG H H 8.67 0.04 1 194 46 46 ARG HA H 2.78 0.04 1 195 46 46 ARG C C 178.28 0.2 1 196 46 46 ARG CA C 59.71 0.2 1 197 46 46 ARG N N 122.40 0.2 1 198 47 47 GLN H H 8.51 0.04 1 199 47 47 GLN HA H 4.03 0.04 1 200 47 47 GLN C C 179.16 0.2 1 201 47 47 GLN CA C 59.30 0.2 1 202 47 47 GLN N N 118.28 0.2 1 203 48 48 GLU H H 7.83 0.04 1 204 48 48 GLU HA H 4.10 0.04 1 205 48 48 GLU C C 179.13 0.2 1 206 48 48 GLU CA C 58.03 0.2 1 207 48 48 GLU N N 121.76 0.2 1 208 49 49 PHE H H 8.70 0.04 1 209 49 49 PHE HA H 4.29 0.04 1 210 49 49 PHE C C 177.30 0.2 1 211 49 49 PHE CA C 62.43 0.2 1 212 49 49 PHE N N 121.90 0.2 1 213 50 50 GLN H H 8.54 0.04 1 214 50 50 GLN HA H 3.80 0.04 1 215 50 50 GLN C C 178.48 0.2 1 216 50 50 GLN CA C 59.85 0.2 1 217 50 50 GLN N N 117.06 0.2 1 218 51 51 THR H H 8.24 0.04 1 219 51 51 THR HA H 3.97 0.04 1 220 51 51 THR C C 176.43 0.2 1 221 51 51 THR CA C 67.29 0.2 1 222 51 51 THR N N 119.03 0.2 1 223 52 52 ILE H H 7.92 0.04 1 224 52 52 ILE HA H 3.55 0.04 1 225 52 52 ILE C C 178.38 0.2 1 226 52 52 ILE CA C 65.00 0.2 1 227 52 52 ILE N N 122.63 0.2 1 228 53 53 TYR H H 7.87 0.04 1 229 53 53 TYR HA H 4.00 0.04 1 230 53 53 TYR C C 179.86 0.2 1 231 53 53 TYR CA C 62.99 0.2 1 232 53 53 TYR N N 122.81 0.2 1 233 54 54 SER H H 8.30 0.04 1 234 54 54 SER HA H 4.26 0.04 1 235 54 54 SER C C 174.41 0.2 1 236 54 54 SER CA C 62.40 0.2 1 237 54 54 SER N N 113.04 0.2 1 238 55 55 LYS H H 7.20 0.04 1 239 55 55 LYS HA H 4.04 0.04 1 240 55 55 LYS C C 178.31 0.2 1 241 55 55 LYS CA C 58.79 0.2 1 242 55 55 LYS N N 120.13 0.2 1 243 56 56 PHE H H 7.30 0.04 1 244 56 56 PHE HA H 4.28 0.04 1 245 56 56 PHE C C 175.02 0.2 1 246 56 56 PHE CA C 59.59 0.2 1 247 56 56 PHE N N 117.19 0.2 1 248 57 57 PHE H H 7.34 0.04 1 249 57 57 PHE HA H 5.15 0.04 1 250 57 57 PHE CA C 55.00 0.2 1 251 57 57 PHE N N 115.26 0.2 1 252 58 58 PRO HA H 4.68 0.04 1 253 58 58 PRO C C 177.80 0.2 1 254 58 58 PRO CA C 64.40 0.2 1 255 59 59 GLU H H 8.89 0.04 1 256 59 59 GLU HA H 4.44 0.04 1 257 59 59 GLU C C 175.35 0.2 1 258 59 59 GLU CA C 56.83 0.2 1 259 59 59 GLU N N 118.52 0.2 1 260 60 60 ALA H H 7.85 0.04 1 261 60 60 ALA HA H 4.63 0.04 1 262 60 60 ALA C C 175.07 0.2 1 263 60 60 ALA CA C 51.67 0.2 1 264 60 60 ALA N N 126.10 0.2 1 265 61 61 ASP H H 7.96 0.04 1 266 61 61 ASP HA H 5.39 0.04 1 267 61 61 ASP CA C 51.01 0.2 1 268 61 61 ASP N N 116.12 0.2 1 269 62 62 PRO HA H 4.98 0.04 1 270 62 62 PRO C C 176.02 0.2 1 271 62 62 PRO CA C 63.00 0.2 1 272 63 63 LYS H H 7.70 0.04 1 273 63 63 LYS HA H 3.89 0.04 1 274 63 63 LYS C C 178.21 0.2 1 275 63 63 LYS CA C 62.41 0.2 1 276 63 63 LYS N N 120.97 0.2 1 277 64 64 ALA H H 8.26 0.04 1 278 64 64 ALA HA H 4.16 0.04 1 279 64 64 ALA C C 179.97 0.2 1 280 64 64 ALA CA C 54.91 0.2 1 281 64 64 ALA N N 121.68 0.2 1 282 65 65 TYR H H 8.80 0.04 1 283 65 65 TYR HA H 4.10 0.04 1 284 65 65 TYR C C 176.94 0.2 1 285 65 65 TYR CA C 60.16 0.2 1 286 65 65 TYR N N 121.47 0.2 1 287 66 66 ALA H H 9.06 0.04 1 288 66 66 ALA HA H 3.56 0.04 1 289 66 66 ALA C C 179.63 0.2 1 290 66 66 ALA CA C 54.82 0.2 1 291 66 66 ALA N N 118.94 0.2 1 292 67 67 GLN H H 7.75 0.04 1 293 67 67 GLN HA H 3.90 0.04 1 294 67 67 GLN C C 178.62 0.2 1 295 67 67 GLN CA C 59.65 0.2 1 296 67 67 GLN N N 116.98 0.2 1 297 68 68 HIS H H 7.44 0.04 1 298 68 68 HIS HA H 4.43 0.04 1 299 68 68 HIS C C 177.16 0.2 1 300 68 68 HIS CA C 60.59 0.2 1 301 68 68 HIS N N 122.12 0.2 1 302 69 69 VAL H H 8.35 0.04 1 303 69 69 VAL HA H 3.41 0.04 1 304 69 69 VAL C C 179.10 0.2 1 305 69 69 VAL CA C 66.39 0.2 1 306 69 69 VAL N N 120.45 0.2 1 307 70 70 PHE H H 8.79 0.04 1 308 70 70 PHE HA H 3.17 0.04 1 309 70 70 PHE C C 175.22 0.2 1 310 70 70 PHE CA C 62.00 0.2 1 311 70 70 PHE N N 121.71 0.2 1 312 71 71 ARG H H 7.26 0.04 1 313 71 71 ARG HA H 4.05 0.04 1 314 71 71 ARG C C 178.77 0.2 1 315 71 71 ARG CA C 59.20 0.2 1 316 71 71 ARG N N 115.44 0.2 1 317 72 72 SER H H 7.81 0.04 1 318 72 72 SER HA H 3.96 0.04 1 319 72 72 SER C C 174.50 0.2 1 320 72 72 SER CA C 61.02 0.2 1 321 72 72 SER N N 115.97 0.2 1 322 73 73 PHE H H 7.50 0.04 1 323 73 73 PHE HA H 4.75 0.04 1 324 73 73 PHE C C 175.50 0.2 1 325 73 73 PHE CA C 57.60 0.2 1 326 73 73 PHE N N 118.60 0.2 1 327 74 74 ASP HA H 4.50 0.2 1 328 74 74 ASP C C 176.85 0.2 1 329 74 74 ASP CA C 52.62 0.2 1 330 75 75 ALA H H 7.52 0.04 1 331 75 75 ALA HA H 4.14 0.04 1 332 75 75 ALA C C 178.81 0.2 1 333 75 75 ALA CA C 55.21 0.2 1 334 75 75 ALA N N 130.57 0.2 1 335 76 76 ASN H H 7.87 0.04 1 336 76 76 ASN HA H 4.87 0.04 1 337 76 76 ASN C C 175.00 0.2 1 338 76 76 ASN CA C 51.10 0.2 1 339 76 76 ASN N N 112.51 0.2 1 340 77 77 SER H H 8.02 0.04 1 341 77 77 SER N N 112.94 0.2 1 342 78 78 ASP HA H 4.76 0.04 1 343 78 78 ASP C C 178.42 0.2 1 344 78 78 ASP CA C 52.79 0.2 1 345 79 79 GLY H H 10.63 0.04 1 346 79 79 GLY HA2 H 4.39 0.04 2 347 79 79 GLY C C 173.38 0.2 1 348 79 79 GLY CA C 45.70 0.2 1 349 79 79 GLY N N 113.30 0.2 1 350 80 80 THR H H 8.26 0.04 1 351 80 80 THR HA H 5.35 0.04 1 352 80 80 THR C C 173.13 0.2 1 353 80 80 THR CA C 59.74 0.2 1 354 80 80 THR N N 109.91 0.2 1 355 81 81 LEU H H 9.65 0.04 1 356 81 81 LEU HA H 5.73 0.04 1 357 81 81 LEU C C 176.43 0.2 1 358 81 81 LEU CA C 53.51 0.2 1 359 81 81 LEU N N 124.84 0.2 1 360 82 82 ASP H H 8.03 0.04 1 361 82 82 ASP HA H 5.28 0.04 1 362 82 82 ASP C C 175.20 0.2 1 363 82 82 ASP CA C 51.58 0.2 1 364 82 82 ASP N N 123.21 0.2 1 365 83 83 PHE H H 8.77 0.04 1 366 83 83 PHE HA H 3.48 0.04 1 367 83 83 PHE C C 175.51 0.2 1 368 83 83 PHE CA C 61.54 0.2 1 369 83 83 PHE N N 117.44 0.2 1 370 84 84 LYS H H 7.47 0.04 1 371 84 84 LYS HA H 3.58 0.04 1 372 84 84 LYS C C 177.19 0.2 1 373 84 84 LYS CA C 59.12 0.2 1 374 84 84 LYS N N 116.97 0.2 1 375 85 85 GLU H H 8.17 0.04 1 376 85 85 GLU HA H 3.91 0.04 1 377 85 85 GLU C C 180.46 0.2 1 378 85 85 GLU CA C 59.05 0.2 1 379 85 85 GLU N N 117.28 0.2 1 380 86 86 TYR H H 8.78 0.04 1 381 86 86 TYR HA H 3.93 0.04 1 382 86 86 TYR C C 175.36 0.2 1 383 86 86 TYR CA C 60.90 0.2 1 384 86 86 TYR N N 121.80 0.2 1 385 87 87 VAL H H 8.17 0.04 1 386 87 87 VAL HA H 2.94 0.04 1 387 87 87 VAL C C 178.65 0.2 1 388 87 87 VAL CA C 66.10 0.2 1 389 87 87 VAL N N 120.33 0.2 1 390 88 88 ILE H H 7.98 0.04 1 391 88 88 ILE HA H 3.48 0.04 1 392 88 88 ILE C C 177.79 0.2 1 393 88 88 ILE CA C 64.39 0.2 1 394 88 88 ILE N N 120.91 0.2 1 395 89 89 ALA H H 7.89 0.04 1 396 89 89 ALA HA H 2.44 0.04 1 397 89 89 ALA C C 181.00 0.2 1 398 89 89 ALA CA C 55.91 0.2 1 399 89 89 ALA N N 124.33 0.2 1 400 90 90 LEU H H 8.05 0.04 1 401 90 90 LEU HA H 3.77 0.04 1 402 90 90 LEU C C 179.21 0.2 1 403 90 90 LEU CA C 57.34 0.2 1 404 90 90 LEU N N 122.13 0.2 1 405 91 91 HIS H H 8.52 0.04 1 406 91 91 HIS HA H 4.24 0.04 1 407 91 91 HIS C C 179.49 0.2 1 408 91 91 HIS CA C 59.20 0.2 1 409 91 91 HIS N N 121.22 0.2 1 410 92 92 MET H H 8.19 0.04 1 411 92 92 MET HA H 3.94 0.04 1 412 92 92 MET C C 177.89 0.2 1 413 92 92 MET CA C 57.50 0.2 1 414 92 92 MET N N 119.07 0.2 1 415 93 93 THR H H 7.56 0.04 1 416 93 93 THR HA H 4.04 0.04 1 417 93 93 THR C C 175.15 0.2 1 418 93 93 THR CA C 63.80 0.2 1 419 93 93 THR N N 109.31 0.2 1 420 94 94 SER H H 7.50 0.04 1 421 94 94 SER HA H 3.89 0.04 1 422 94 94 SER C C 174.25 0.2 1 423 94 94 SER CA C 58.92 0.2 1 424 94 94 SER N N 116.01 0.2 1 425 95 95 ALA H H 8.02 0.04 1 426 95 95 ALA HA H 4.36 0.04 1 427 95 95 ALA C C 177.59 0.2 1 428 95 95 ALA CA C 52.40 0.2 1 429 95 95 ALA N N 122.01 0.2 1 430 96 96 GLY H H 8.26 0.04 1 431 96 96 GLY C C 173.03 0.2 1 432 96 96 GLY N N 107.76 0.2 1 433 97 97 LYS H H 7.81 0.04 1 434 97 97 LYS N N 113.44 0.2 1 435 100 100 GLN C C 173.81 0.2 1 436 100 100 GLN CA C 58.26 0.2 1 437 101 101 LYS H H 6.59 0.04 1 438 101 101 LYS C C 177.11 0.2 1 439 101 101 LYS CA C 57.34 0.2 1 440 101 101 LYS N N 125.00 0.2 1 441 102 102 LEU H H 8.02 0.04 1 442 102 102 LEU HA H 4.40 0.04 1 443 102 102 LEU C C 178.25 0.2 1 444 102 102 LEU CA C 56.86 0.2 1 445 102 102 LEU N N 120.57 0.2 1 446 103 103 GLU H H 8.54 0.04 1 447 103 103 GLU HA H 4.11 0.04 1 448 103 103 GLU C C 179.68 0.2 1 449 103 103 GLU CA C 59.22 0.2 1 450 103 103 GLU N N 121.01 0.2 1 451 104 104 TRP H H 7.86 0.04 1 452 104 104 TRP N N 120.57 0.2 1 453 105 105 ALA HA H 3.40 0.04 1 454 105 105 ALA C C 178.03 0.2 1 455 105 105 ALA CA C 54.36 0.2 1 456 106 106 PHE H H 8.17 0.04 1 457 106 106 PHE HA H 3.07 0.04 1 458 106 106 PHE C C 175.11 0.2 1 459 106 106 PHE CA C 62.10 0.2 1 460 106 106 PHE N N 118.74 0.2 1 461 107 107 SER H H 7.55 0.04 1 462 107 107 SER HA H 3.93 0.04 1 463 107 107 SER C C 175.78 0.2 1 464 107 107 SER CA C 60.90 0.2 1 465 107 107 SER N N 114.00 0.2 1 466 108 108 LEU H H 7.48 0.04 1 467 108 108 LEU HA H 3.60 0.04 1 468 108 108 LEU C C 176.72 0.2 1 469 108 108 LEU CA C 57.00 0.2 1 470 108 108 LEU N N 123.78 0.2 1 471 109 109 TYR H H 7.47 0.04 1 472 109 109 TYR HA H 3.78 0.04 1 473 109 109 TYR C C 175.46 0.2 1 474 109 109 TYR CA C 61.00 0.2 1 475 109 109 TYR N N 114.31 0.2 1 476 110 110 ASP H H 7.57 0.04 1 477 110 110 ASP HA H 4.58 0.04 1 478 110 110 ASP C C 177.46 0.2 1 479 110 110 ASP CA C 51.50 0.2 1 480 110 110 ASP N N 117.34 0.2 1 481 111 111 VAL H H 7.80 0.04 1 482 111 111 VAL HA H 3.14 0.04 1 483 111 111 VAL C C 177.93 0.2 1 484 111 111 VAL CA C 66.75 0.2 1 485 111 111 VAL N N 126.15 0.2 1 486 112 112 ASP H H 8.59 0.04 1 487 112 112 ASP HA H 4.42 0.04 1 488 112 112 ASP C C 177.91 0.2 1 489 112 112 ASP CA C 53.23 0.2 1 490 112 112 ASP N N 114.77 0.2 1 491 113 113 GLY H H 7.81 0.04 1 492 113 113 GLY HA2 H 3.86 0.04 2 493 113 113 GLY C C 175.12 0.2 1 494 113 113 GLY CA C 47.12 0.2 1 495 113 113 GLY N N 110.48 0.2 1 496 114 114 ASN H H 8.37 0.04 1 497 114 114 ASN HA H 4.60 0.04 1 498 114 114 ASN C C 177.19 0.2 1 499 114 114 ASN CA C 52.89 0.2 1 500 114 114 ASN N N 119.94 0.2 1 501 115 115 GLY H H 10.74 0.04 1 502 115 115 GLY HA2 H 3.70 0.04 2 503 115 115 GLY C C 173.71 0.2 1 504 115 115 GLY CA C 45.67 0.2 1 505 115 115 GLY N N 115.36 0.2 1 506 116 116 THR H H 7.71 0.04 1 507 116 116 THR HA H 5.10 0.04 1 508 116 116 THR C C 173.38 0.2 1 509 116 116 THR CA C 59.39 0.2 1 510 116 116 THR N N 108.56 0.2 1 511 117 117 ILE H H 9.58 0.04 1 512 117 117 ILE HA H 5.00 0.04 1 513 117 117 ILE C C 175.61 0.2 1 514 117 117 ILE CA C 60.10 0.2 1 515 117 117 ILE N N 126.49 0.2 1 516 118 118 SER H H 9.00 0.04 1 517 118 118 SER HA H 5.10 0.04 1 518 118 118 SER C C 175.67 0.2 1 519 118 118 SER CA C 55.92 0.2 1 520 118 118 SER N N 122.16 0.2 1 521 119 119 LYS H H 8.76 0.04 1 522 119 119 LYS HA H 2.48 0.04 1 523 119 119 LYS C C 177.86 0.2 1 524 119 119 LYS CA C 60.29 0.2 1 525 119 119 LYS N N 125.80 0.2 1 526 120 120 ASN H H 8.25 0.04 1 527 120 120 ASN HA H 4.27 0.04 1 528 120 120 ASN C C 177.75 0.2 1 529 120 120 ASN CA C 55.96 0.2 1 530 120 120 ASN N N 113.37 0.2 1 531 121 121 GLU H H 7.48 0.04 1 532 121 121 GLU HA H 4.01 0.04 1 533 121 121 GLU C C 177.89 0.2 1 534 121 121 GLU CA C 60.12 0.2 1 535 121 121 GLU N N 123.75 0.2 1 536 122 122 VAL H H 7.21 0.04 1 537 122 122 VAL HA H 3.96 0.04 1 538 122 122 VAL C C 177.19 0.2 1 539 122 122 VAL CA C 66.64 0.2 1 540 122 122 VAL N N 117.79 0.2 1 541 123 123 LEU H H 6.79 0.04 1 542 123 123 LEU HA H 3.94 0.04 1 543 123 123 LEU C C 179.11 0.2 1 544 123 123 LEU CA C 58.32 0.2 1 545 123 123 LEU N N 116.48 0.2 1 546 124 124 GLU H H 8.15 0.2 1 547 124 124 GLU HA H 4.03 0.04 1 548 124 124 GLU C C 178.66 0.2 1 549 124 124 GLU CA C 60.05 0.2 1 550 124 124 GLU N N 123.88 0.2 1 551 125 125 ILE H H 7.87 0.04 1 552 125 125 ILE HA H 3.49 0.04 1 553 125 125 ILE C C 178.88 0.2 1 554 125 125 ILE CA C 61.90 0.2 1 555 125 125 ILE N N 118.75 0.2 1 556 126 126 VAL H H 8.97 0.04 1 557 126 126 VAL HA H 3.86 0.04 1 558 126 126 VAL C C 179.30 0.2 1 559 126 126 VAL CA C 67.18 0.2 1 560 126 126 VAL N N 119.15 0.2 1 561 127 127 THR H H 8.60 0.04 1 562 127 127 THR HA H 3.82 0.04 1 563 127 127 THR C C 174.93 0.2 1 564 127 127 THR CA C 68.44 0.2 1 565 127 127 THR N N 119.18 0.2 1 566 128 128 ALA H H 7.56 0.04 1 567 128 128 ALA HA H 4.15 0.04 1 568 128 128 ALA C C 180.57 0.2 1 569 128 128 ALA CA C 55.48 0.2 1 570 128 128 ALA N N 124.80 0.2 1 571 129 129 ILE H H 8.79 0.04 1 572 129 129 ILE HA H 3.26 0.04 1 573 129 129 ILE C C 177.90 0.2 1 574 129 129 ILE CA C 65.11 0.2 1 575 129 129 ILE N N 120.52 0.2 1 576 130 130 PHE H H 9.49 0.04 1 577 130 130 PHE HA H 3.92 0.04 1 578 130 130 PHE C C 178.97 0.2 1 579 130 130 PHE CA C 61.71 0.2 1 580 130 130 PHE N N 119.79 0.2 1 581 131 131 LYS H H 7.59 0.04 1 582 131 131 LYS HA H 4.30 0.04 1 583 131 131 LYS C C 177.10 0.2 1 584 131 131 LYS CA C 58.10 0.2 1 585 131 131 LYS N N 115.74 0.2 1 586 132 132 MET HA H 4.10 0.04 1 587 132 132 MET C C 173.52 0.2 1 588 132 132 MET CA C 57.64 0.2 1 589 133 133 ILE H H 7.32 0.04 1 590 133 133 ILE HA H 4.09 0.04 1 591 133 133 ILE C C 176.04 0.2 1 592 133 133 ILE CA C 61.83 0.2 1 593 133 133 ILE N N 120.56 0.2 1 594 134 134 SER H H 9.06 0.04 1 595 134 134 SER N N 125.28 0.2 1 596 135 135 PRO HA H 4.41 0.04 1 597 135 135 PRO C C 179.80 0.2 1 598 135 135 PRO CA C 66.07 0.2 1 599 136 136 GLU H H 8.60 0.02 1 600 136 136 GLU HA H 4.09 0.02 1 601 136 136 GLU C C 177.15 0.2 1 602 136 136 GLU CA C 59.01 0.2 1 603 136 136 GLU N N 117.44 0.2 1 604 137 137 ASP H H 7.88 0.04 1 605 137 137 ASP HA H 4.68 0.04 1 606 137 137 ASP C C 180.15 0.2 1 607 137 137 ASP CA C 56.63 0.2 1 608 137 137 ASP N N 118.78 0.2 1 609 138 138 THR H H 8.23 0.04 1 610 138 138 THR HA H 3.90 0.04 1 611 138 138 THR C C 176.85 0.2 1 612 138 138 THR CA C 65.62 0.2 1 613 138 138 THR N N 115.60 0.2 1 614 139 139 LYS H H 7.15 0.04 1 615 139 139 LYS HA H 4.16 0.04 1 616 139 139 LYS C C 176.67 0.2 1 617 139 139 LYS CA C 58.07 0.2 1 618 139 139 LYS N N 119.37 0.2 1 619 140 140 HIS H H 7.21 0.04 1 620 140 140 HIS HA H 4.84 0.04 1 621 140 140 HIS C C 175.27 0.2 1 622 140 140 HIS CA C 54.95 0.2 1 623 140 140 HIS N N 115.03 0.2 1 624 141 141 LEU H H 7.16 0.04 1 625 141 141 LEU C C 178.25 0.2 1 626 141 141 LEU CA C 53.45 0.2 1 627 141 141 LEU N N 121.61 0.2 1 628 143 143 GLU H H 8.72 0.04 1 629 143 143 GLU HA H 4.00 0.04 1 630 143 143 GLU C C 175.99 0.2 1 631 143 143 GLU CA C 59.24 0.2 1 632 143 143 GLU N N 122.97 0.2 1 633 144 144 ASP H H 8.21 0.04 1 634 144 144 ASP HA H 4.62 0.04 1 635 144 144 ASP C C 176.34 0.2 1 636 144 144 ASP CA C 53.68 0.2 1 637 144 144 ASP N N 112.88 0.2 1 638 145 145 GLU H H 8.01 0.04 1 639 145 145 GLU HA H 4.51 0.04 1 640 145 145 GLU C C 176.15 0.2 1 641 145 145 GLU CA C 54.69 0.2 1 642 145 145 GLU N N 115.07 0.2 1 643 146 146 ASN H H 7.32 0.04 1 644 146 146 ASN HA H 4.79 0.04 1 645 146 146 ASN C C 174.0 0.2 1 646 146 146 ASN CA C 53.80 0.2 1 647 146 146 ASN N N 117.66 0.2 1 648 147 147 THR H H 7.21 0.04 1 649 147 147 THR HA H 4.32 0.04 1 650 147 147 THR CA C 58.00 0.2 1 651 147 147 THR N N 106.85 0.2 1 652 148 148 PRO HA H 3.66 0.04 1 653 148 148 PRO C C 177.20 0.2 1 654 148 148 PRO CA C 65.15 0.2 1 655 149 149 GLU H H 8.80 0.04 1 656 149 149 GLU HA H 3.75 0.04 1 657 149 149 GLU C C 179.29 0.2 1 658 149 149 GLU CA C 61.28 0.2 1 659 149 149 GLU N N 117.41 0.2 1 660 150 150 LYS H H 7.66 0.04 1 661 150 150 LYS HA H 3.99 0.04 1 662 150 150 LYS C C 178.96 0.2 1 663 150 150 LYS CA C 60.27 0.2 1 664 150 150 LYS N N 119.33 0.2 1 665 151 151 ARG H H 7.80 0.04 1 666 151 151 ARG HA H 3.92 0.04 1 667 151 151 ARG C C 177.30 0.02 1 668 151 151 ARG CA C 60.67 0.2 1 669 151 151 ARG N N 119.87 0.2 1 670 152 152 ALA H H 8.91 0.04 1 671 152 152 ALA HA H 4.09 0.04 1 672 152 152 ALA C C 178.80 0.2 1 673 152 152 ALA CA C 55.47 0.2 1 674 152 152 ALA N N 120.32 0.2 1 675 153 153 GLU H H 8.02 0.04 1 676 153 153 GLU HA H 4.03 0.04 1 677 153 153 GLU C C 178.33 0.2 1 678 153 153 GLU CA C 59.10 0.2 1 679 153 153 GLU N N 117.66 0.2 1 680 154 154 LYS H H 8.17 0.04 1 681 154 154 LYS HA H 3.92 0.04 1 682 154 154 LYS C C 178.84 0.2 1 683 154 154 LYS CA C 60.00 0.2 1 684 154 154 LYS N N 122.14 0.2 1 685 155 155 ILE H H 8.06 0.04 1 686 155 155 ILE HA H 3.48 0.04 1 687 155 155 ILE C C 176.83 0.2 1 688 155 155 ILE CA C 66.67 0.2 1 689 155 155 ILE N N 118.64 0.2 1 690 156 156 TRP H H 8.60 0.04 1 691 156 156 TRP HA H 4.52 0.04 1 692 156 156 TRP C C 179.09 0.2 1 693 156 156 TRP CA C 60.42 0.2 1 694 156 156 TRP N N 120.53 0.2 1 695 157 157 GLY H H 8.36 0.04 1 696 157 157 GLY HA2 H 3.93 0.04 2 697 157 157 GLY C C 178.59 0.2 1 698 157 157 GLY CA C 47.01 0.2 1 699 157 157 GLY N N 104.27 0.2 1 700 158 158 PHE H H 8.22 0.04 1 701 158 158 PHE HA H 4.59 0.04 1 702 158 158 PHE C C 179.07 0.2 1 703 158 158 PHE CA C 58.98 0.2 1 704 158 158 PHE N N 123.60 0.2 1 705 159 159 PHE H H 7.85 0.04 1 706 159 159 PHE HA H 4.41 0.04 1 707 159 159 PHE C C 176.44 0.2 1 708 159 159 PHE CA C 60.76 0.2 1 709 159 159 PHE N N 117.91 0.2 1 710 160 160 GLY H H 7.88 0.04 1 711 160 160 GLY HA2 H 3.89 0.04 2 712 160 160 GLY C C 174.73 0.2 1 713 160 160 GLY CA C 46.47 0.2 1 714 160 160 GLY N N 109.00 0.2 1 715 161 161 LYS H H 6.86 0.04 1 716 161 161 LYS HA H 4.48 0.04 1 717 161 161 LYS C C 176.12 0.2 1 718 161 161 LYS CA C 53.17 0.2 1 719 161 161 LYS N N 117.60 0.2 1 720 162 162 LYS H H 9.16 0.04 1 721 162 162 LYS HA H 4.60 0.04 1 722 162 162 LYS C C 180.11 0.2 1 723 162 162 LYS CA C 55.52 0.2 1 724 162 162 LYS N N 120.77 0.2 1 725 163 163 ASP H H 8.87 0.04 1 726 163 163 ASP HA H 4.45 0.04 1 727 163 163 ASP C C 176.86 0.2 1 728 163 163 ASP CA C 58.61 0.2 1 729 163 163 ASP N N 122.74 0.2 1 730 164 164 ASP H H 8.53 0.04 1 731 164 164 ASP HA H 4.84 0.04 1 732 164 164 ASP C C 176.03 0.2 1 733 164 164 ASP CA C 53.65 0.2 1 734 164 164 ASP N N 116.20 0.2 1 735 165 165 ASP H H 7.60 0.04 1 736 165 165 ASP HA H 4.94 0.04 1 737 165 165 ASP C C 174.92 0.2 1 738 165 165 ASP CA C 54.28 0.2 1 739 165 165 ASP N N 120.47 0.2 1 740 166 166 LYS H H 8.74 0.04 1 741 166 166 LYS HA H 5.20 0.04 1 742 166 166 LYS C C 175.07 0.2 1 743 166 166 LYS CA C 54.86 0.2 1 744 166 166 LYS N N 117.48 0.2 1 745 167 167 LEU H H 9.25 0.04 1 746 167 167 LEU HA H 4.84 0.04 1 747 167 167 LEU C C 177.13 0.2 1 748 167 167 LEU CA C 53.68 0.2 1 749 167 167 LEU N N 123.59 0.2 1 750 168 168 THR H H 8.71 0.04 1 751 168 168 THR HA H 4.64 0.04 1 752 168 168 THR C C 174.43 0.2 1 753 168 168 THR CA C 60.87 0.2 1 754 168 168 THR N N 116.46 0.2 1 755 169 169 GLU H H 8.73 0.04 1 756 169 169 GLU HA H 3.18 0.04 1 757 169 169 GLU C C 177.62 0.2 1 758 169 169 GLU CA C 60.23 0.2 1 759 169 169 GLU N N 123.29 0.2 1 760 170 170 LYS H H 8.07 0.04 1 761 170 170 LYS HA H 3.95 0.04 1 762 170 170 LYS C C 178.63 0.2 1 763 170 170 LYS CA C 59.67 0.2 1 764 170 170 LYS N N 118.33 0.2 1 765 171 171 GLU H H 7.27 0.04 1 766 171 171 GLU HA H 4.04 0.04 1 767 171 171 GLU C C 180.02 0.2 1 768 171 171 GLU CA C 58.70 0.2 1 769 171 171 GLU N N 116.43 0.2 1 770 172 172 PHE H H 8.61 0.04 1 771 172 172 PHE HA H 4.23 0.04 1 772 172 172 PHE C C 177.46 0.2 1 773 172 172 PHE CA C 61.24 0.2 1 774 172 172 PHE N N 122.22 0.2 1 775 173 173 ILE H H 8.87 0.04 1 776 173 173 ILE HA H 3.52 0.04 1 777 173 173 ILE C C 177.27 0.2 1 778 173 173 ILE CA C 66.73 0.2 1 779 173 173 ILE N N 121.85 0.2 1 780 174 174 GLU H H 8.47 0.04 1 781 174 174 GLU HA H 3.91 0.04 1 782 174 174 GLU C C 180.59 0.2 1 783 174 174 GLU CA C 59.82 0.2 1 784 174 174 GLU N N 116.54 0.2 1 785 175 175 GLY H H 8.42 0.04 1 786 175 175 GLY HA2 H 3.92 0.04 2 787 175 175 GLY C C 175.21 0.2 1 788 175 175 GLY CA C 47.23 0.2 1 789 175 175 GLY N N 106.48 0.2 1 790 176 176 THR H H 7.62 0.04 1 791 176 176 THR HA H 3.63 0.04 1 792 176 176 THR CA C 66.80 0.2 1 793 176 176 THR N N 119.22 0.2 1 794 177 177 LEU HA H 3.96 0.04 1 795 177 177 LEU C C 178.98 0.2 1 796 177 177 LEU CA C 56.90 0.2 1 797 178 178 ALA H H 7.50 0.04 1 798 178 178 ALA HA H 4.29 0.04 1 799 178 178 ALA C C 177.70 0.2 1 800 178 178 ALA CA C 53.15 0.2 1 801 178 178 ALA N N 118.9 0.2 1 802 179 179 ASN H H 7.43 0.04 1 803 179 179 ASN HA H 4.82 0.04 1 804 179 179 ASN C C 174.12 0.2 1 805 179 179 ASN CA C 51.55 0.2 1 806 179 179 ASN N N 116.35 0.2 1 807 180 180 LYS H H 8.70 0.04 1 808 180 180 LYS HA H 4.15 0.04 1 809 180 180 LYS C C 178.36 0.2 1 810 180 180 LYS CA C 58.67 0.2 1 811 180 180 LYS N N 124.00 0.2 1 812 181 181 GLU H H 8.09 0.04 1 813 181 181 GLU HA H 4.20 0.04 1 814 181 181 GLU C C 178.66 0.2 1 815 181 181 GLU CA C 57.63 0.2 1 816 181 181 GLU N N 119.67 0.2 1 817 182 182 ILE H H 6.95 0.04 1 818 182 182 ILE HA H 3.35 0.04 1 819 182 182 ILE C C 177.19 0.2 1 820 182 182 ILE CA C 66.64 0.2 1 821 182 182 ILE N N 117.54 0.2 1 822 183 183 LEU H H 6.79 0.04 1 823 183 183 LEU HA H 3.82 0.04 1 824 183 183 LEU CA C 58.10 0.2 1 825 183 183 LEU N N 116.48 0.2 1 826 185 185 LEU C C 179.21 0.2 1 827 185 185 LEU CA C 56.00 0.2 1 828 186 186 ILE H H 7.99 0.04 1 829 186 186 ILE HA H 4.65 0.04 1 830 186 186 ILE C C 176.72 0.2 1 831 186 186 ILE CA C 59.77 0.2 1 832 186 186 ILE N N 112.50 0.2 1 833 187 187 GLN H H 7.61 0.04 1 834 187 187 GLN HA H 4.84 0.04 1 835 187 187 GLN CA C 55.10 0.2 1 836 187 187 GLN N N 119.66 0.2 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 rk25 _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 3 3 PHE H H 8.30 0.04 1 2 3 3 PHE HA H 4.10 0.04 1 3 3 3 PHE C C 175.78 0.2 1 4 3 3 PHE CA C 59.60 0.2 1 5 3 3 PHE N N 122.62 0.2 1 6 4 4 GLY H H 7.71 0.04 1 7 4 4 GLY HA2 H 3.22 0.04 2 8 4 4 GLY C C 173.40 0.2 1 9 4 4 GLY CA C 45.37 0.2 1 10 4 4 GLY N N 108.54 0.2 1 11 5 5 SER H H 7.96 0.04 1 12 5 5 SER HA H 3.94 0.04 1 13 5 5 SER C C 175.51 0.2 1 14 5 5 SER CA C 58.48 0.2 1 15 5 5 SER N N 118.26 0.2 1 16 6 6 LEU H H 9.11 0.04 1 17 6 6 LEU HA H 4.63 0.04 1 18 6 6 LEU C C 178.87 0.2 1 19 6 6 LEU CA C 58.23 0.2 1 20 6 6 LEU N N 124.87 0.2 1 21 7 7 GLU H H 8.54 0.04 1 22 7 7 GLU HA H 3.43 0.04 1 23 7 7 GLU C C 177.55 0.2 1 24 7 7 GLU CA C 60.49 0.2 1 25 7 7 GLU N N 117.76 0.2 1 26 8 8 THR H H 7.65 0.04 1 27 8 8 THR HA H 3.65 0.04 1 28 8 8 THR C C 175.76 0.2 1 29 8 8 THR CA C 66.53 0.2 1 30 8 8 THR N N 116.20 0.2 1 31 9 9 VAL H H 7.00 0.04 1 32 9 9 VAL HA H 3.47 0.04 1 33 9 9 VAL C C 177.84 0.2 1 34 9 9 VAL CA C 65.77 0.2 1 35 9 9 VAL N N 119.57 0.2 1 36 10 10 VAL H H 7.71 0.04 1 37 10 10 VAL HA H 3.06 0.04 1 38 10 10 VAL C C 175.85 0.2 1 39 10 10 VAL CA C 67.43 0.2 1 40 10 10 VAL N N 122.56 0.2 1 41 11 11 ALA H H 7.73 0.04 1 42 11 11 ALA HA H 3.51 0.04 1 43 11 11 ALA C C 179.25 0.2 1 44 11 11 ALA CA C 55.55 0.2 1 45 11 11 ALA N N 118.60 0.2 1 46 12 12 ASN H H 7.75 0.04 1 47 12 12 ASN HA H 4.56 0.04 1 48 12 12 ASN C C 175.44 0.04 1 49 12 12 ASN CA C 54.77 0.2 1 50 12 12 ASN N N 109.68 0.2 1 51 13 13 SER H H 7.68 0.04 1 52 13 13 SER HA H 4.46 0.04 1 53 13 13 SER C C 173.84 0.2 1 54 13 13 SER CA C 58.45 0.2 1 55 13 13 SER N N 111.23 0.2 1 56 14 14 ALA H H 7.61 0.04 1 57 14 14 ALA HA H 4.66 0.04 1 58 14 14 ALA C C 175.00 0.2 1 59 14 14 ALA CA C 54.14 0.2 1 60 14 14 ALA N N 126.01 0.2 1 61 15 15 PHE H H 7.52 0.04 1 62 15 15 PHE HA H 5.27 0.04 1 63 15 15 PHE C C 172.83 0.2 1 64 15 15 PHE CA C 55.45 0.2 1 65 15 15 PHE N N 111.79 0.2 1 66 16 16 ILE H H 9.01 0.04 1 67 16 16 ILE HA H 4.01 0.04 1 68 16 16 ILE C C 175.47 0.2 1 69 16 16 ILE CA C 64.28 0.2 1 70 16 16 ILE N N 119.05 0.2 1 71 17 17 ALA H H 9.16 0.04 1 72 17 17 ALA HA H 4.69 0.04 1 73 17 17 ALA C C 175.16 0.2 1 74 17 17 ALA CA C 52.37 0.2 1 75 17 17 ALA N N 121.73 0.2 1 76 18 18 ALA H H 8.69 0.04 1 77 18 18 ALA HA H 4.36 0.04 1 78 18 18 ALA C C 177.64 0.2 1 79 18 18 ALA CA C 51.80 0.2 1 80 18 18 ALA N N 124.22 0.2 1 81 19 19 ARG H H 8.51 0.04 1 82 19 19 ARG C C 180.27 0.2 1 83 19 19 ARG CA C 58.00 0.2 1 84 19 19 ARG N N 121.42 0.2 1 85 20 20 GLY H H 8.31 0.04 1 86 20 20 GLY CA C 46.00 0.2 1 87 20 20 GLY N N 122.06 0.2 1 88 21 21 SER HA H 3.69 0.04 1 89 21 21 SER C C 174.30 0.2 1 90 21 21 SER CA C 58.73 0.2 1 91 22 22 PHE H H 8.03 0.04 1 92 22 22 PHE HA H 4.59 0.04 1 93 22 22 PHE C C 175.14 0.2 1 94 22 22 PHE CA C 57.75 0.2 1 95 22 22 PHE N N 121.21 0.2 1 96 23 23 ASP H H 8.01 0.04 1 97 23 23 ASP HA H 4.49 0.04 1 98 23 23 ASP C C 175.98 0.2 1 99 23 23 ASP CA C 54.56 0.2 1 100 23 23 ASP N N 121.89 0.2 1 101 24 24 ALA H H 8.19 0.04 1 102 24 24 ALA HA H 4.23 0.04 1 103 24 24 ALA C C 177.78 0.2 1 104 24 24 ALA CA C 53.02 0.2 1 105 24 24 ALA N N 125.38 0.2 1 106 25 25 SER H H 8.20 0.04 1 107 25 25 SER HA H 4.35 0.04 1 108 25 25 SER C C 174.71 0.2 1 109 25 25 SER CA C 58.97 0.2 1 110 25 25 SER N N 114.46 0.2 1 stop_ save_