data_5177 #Corrected using PDB structure: 1TVJA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 15 F HA 3.86 4.57 # 81 R HA 4.68 3.59 # 85 Y HA 4.53 5.38 # 91 T HA 5.38 4.67 # 97 E HA 5.63 4.82 #101 F HA 5.70 4.92 #106 P HA 3.52 4.62 #128 F HA 3.74 2.96 #144 K HA 4.10 4.99 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #128 F CB 34.76 39.77 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.06 -0.08 -0.04 -0.15 -0.06 0.02 # #bmr5177.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5177.str file): #HA CA CB CO N HN #N/A -0.06 -0.06 -0.15 -0.06 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.11 +/-0.12 +/-0.12 +/-0.30 +/-0.05 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.830 0.970 0.995 0.818 0.843 0.685 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.163 0.723 0.775 0.753 1.915 0.333 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 13C, and 15N chemical shift assignments for chick cofilin ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bains Naresh P.S. . 2 Gorbatyuk Vitaliy Ya. . 3 Nosworthy Neil J. . 4 Robson Scott A. . 5 Maciejewski Mark W. . 6 "dos Remedios" Cristobal G. . 7 King Glenn F. . stop_ _BMRB_accession_number 5177 _BMRB_flat_file_name bmr5177.str _Entry_type new _Submission_date 2001-10-12 _Accession_date 2001-10-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 1033 '15N chemical shifts' 172 '13C chemical shifts' 713 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: Backbone and Side-chain 1H, 15N, and 13C Assignments for Chick Cofilin ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 21880669 _PubMed_ID 11885570 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bains Naresh P.S. . 2 Gorbatyuk Vitaliy Ya. . 3 Nosworthy Neil J. . 4 Robson Scott A. . 5 Maciejewski Mark W. . 6 "dos Remedios" Cristobal G. . 7 King Glenn F. . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 22 _Journal_issue 2 _Page_first 193 _Page_last 194 _Year 2002 loop_ _Keyword "cofilin" "actin" stop_ save_ ################################## # Molecular system description # ################################## save_system_cofilin _Saveframe_category molecular_system _Mol_system_name "chick cofilin" _Abbreviation_common cofilin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "chick cofilin" $cofilin stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function "modulates actin polymerization" stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details SWISS-PROT P21566 ? . stop_ _Details ; The deposited protein sequence (SWISS-PROT accession number P21566) is incorrect. The NMR chemical shift assignments revealed that residues 53-54 are Lys-Gln and NOT Thr-Arg as reported in the sequence database. ; save_ ######################## # Monomeric polymers # ######################## save_cofilin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "chick cofilin" _Name_variant . _Abbreviation_common cofilin _Molecular_mass 18662 _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Sequence_citation_label $Reference_1 ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MASGVTVNDEVIKVFNDMKV RKSSTPEEIKKRKKAVLFCL SDDKKQIIVEEAKQILVGDI GDTVEDPYTAFVKLLPLNDC RYALYDATYETKESKKEDLV FIFWAPESAPLKSKMIYASS KDAIKKKFTGIKHEWQVNGL DDIKDRSTLGEKLGGNVVVS LEGKPL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 GLY 5 VAL 6 THR 7 VAL 8 ASN 9 ASP 10 GLU 11 VAL 12 ILE 13 LYS 14 VAL 15 PHE 16 ASN 17 ASP 18 MET 19 LYS 20 VAL 21 ARG 22 LYS 23 SER 24 SER 25 THR 26 PRO 27 GLU 28 GLU 29 ILE 30 LYS 31 LYS 32 ARG 33 LYS 34 LYS 35 ALA 36 VAL 37 LEU 38 PHE 39 CYS 40 LEU 41 SER 42 ASP 43 ASP 44 LYS 45 LYS 46 GLN 47 ILE 48 ILE 49 VAL 50 GLU 51 GLU 52 ALA 53 LYS 54 GLN 55 ILE 56 LEU 57 VAL 58 GLY 59 ASP 60 ILE 61 GLY 62 ASP 63 THR 64 VAL 65 GLU 66 ASP 67 PRO 68 TYR 69 THR 70 ALA 71 PHE 72 VAL 73 LYS 74 LEU 75 LEU 76 PRO 77 LEU 78 ASN 79 ASP 80 CYS 81 ARG 82 TYR 83 ALA 84 LEU 85 TYR 86 ASP 87 ALA 88 THR 89 TYR 90 GLU 91 THR 92 LYS 93 GLU 94 SER 95 LYS 96 LYS 97 GLU 98 ASP 99 LEU 100 VAL 101 PHE 102 ILE 103 PHE 104 TRP 105 ALA 106 PRO 107 GLU 108 SER 109 ALA 110 PRO 111 LEU 112 LYS 113 SER 114 LYS 115 MET 116 ILE 117 TYR 118 ALA 119 SER 120 SER 121 LYS 122 ASP 123 ALA 124 ILE 125 LYS 126 LYS 127 LYS 128 PHE 129 THR 130 GLY 131 ILE 132 LYS 133 HIS 134 GLU 135 TRP 136 GLN 137 VAL 138 ASN 139 GLY 140 LEU 141 ASP 142 ASP 143 ILE 144 LYS 145 ASP 146 ARG 147 SER 148 THR 149 LEU 150 GLY 151 GLU 152 LYS 153 LEU 154 GLY 155 GLY 156 ASN 157 VAL 158 VAL 159 VAL 160 SER 161 LEU 162 GLU 163 GLY 164 LYS 165 PRO 166 LEU stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-06-17 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 GenBank AAA62732.1 cofilin 100.00 166 99 99 6e-89 GenBank AAD31280.1 "cofilin isoform 1 [Homo sapiens]" 100.00 166 98 99 2e-88 GenBank AAD31281.1 "cofilin isoform 2 [Homo sapiens]" 100.00 166 98 99 2e-88 GenBank AAF64498.1 "cofilin 2b [Homo sapiens]" 100.00 166 98 99 2e-88 GenBank AAF97934.1 "muscle cofilin [Homo sapiens]" 100.00 166 98 99 2e-88 PIR B35703 "cofilin - chicken" 100.00 166 99 99 6e-89 PIR A53812 "cofilin, muscle - mouse" 100.00 166 98 99 6e-88 REF NP_068733.1 "cofilin 2 [Homo sapiens]" 100.00 166 98 99 2e-88 REF NP_619579.1 "cofilin 2 [Homo sapiens]" 100.00 166 98 99 2e-88 REF NP_031714.1 "cofilin 2, muscle [Mus musculus]" 100.00 166 98 99 6e-88 REF XP_345675.1 "similar to cofilin [Rattus norvegicus]" 84.69 196 98 99 2e-87 SWISS-PROT P21566 "COFI_CHICK Cofilin" 100.00 166 100 100 4e-90 SWISS-PROT Q9Y281 "COF2_HUMAN Cofilin, muscle isoform (Cofilin 2)" 100.00 166 98 99 2e-88 SWISS-PROT P45591 "COF2_MOUSE Cofilin, muscle isoform (Cofilin 2)" 100.00 166 98 99 6e-88 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $cofilin Chicken 9031 Eukaryota Metazoa Gallus gallus "skeletal muscle" 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 _Details $cofilin 'recombinant technology' "E. coli" Escherichia coli XL1-Blue . ; The protein was expressed as a GST-fusion protein in E. coli, then purified using glutathione affinity chromatography. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cofilin 1.0 mM "[U-99% 15N]" NaCl 50 mM . PIPES 10 mM . H2O 92.5 % . D2O 7.5 % . stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cofilin 1.0 mM "[U-99% 13C; U-99% 15N]" NaCl 50 mM . PIPES 10 mM . H2O 92.5 % . D2O 7.5 % . stop_ save_ save_Sample_3 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cofilin 1.0 mM "[U-99% 13C; U-99% 15N]" NaCl 50 mM . PIPES 10 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe loop_ _Task "NMR data processing" stop_ _Details ; nmrPipe was run using scripts generated on our website at http://sbtools.uchc.edu/nmr/. ; _Citation_label $Reference_2 save_ save_XEASY _Saveframe_category software _Name XEASY loop_ _Task "Spectral analysis" "resonance assignment" stop_ _Citation_label $Reference_3 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 3D HNCACB 3D CBCA(CO)NH 3D HNCO 3D HCCH-COSY 3D HCCH-TOCSY 3D HC(CO)NH-TOCSY 3D C(CO)NH-TOCSY 3D 15N-edited NOESY-HSQC 3D 13C-edited NOESY-HSQC 2D (HB)CB(CGCD)HD 2D 1H-1H NOESY 2D 1H-1H DQF-COSY 2D TOCSY ; save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details ; The sample was equilibrated for at least 30 min prior to data acquisition. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.05 n/a temperature 298 0.5 K 'ionic strength' 0.06 0.01 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Cofilin_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $Sample_1 $Sample_2 $Sample_3 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "chick cofilin" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 MET CA C 55.44 0.3 1 2 1 MET HA H 4.57 0.02 1 3 1 MET CB C 32.94 0.3 1 4 1 MET HB2 H 2.06 0.02 2 5 1 MET HB3 H 2.16 0.02 2 6 1 MET CG C 31.94 0.3 1 7 1 MET HG2 H 2.61 0.02 2 8 1 MET HG3 H 2.67 0.02 2 9 1 MET C C 175.85 0.3 1 10 2 ALA N N 125.94 0.2 1 11 2 ALA H H 8.39 0.02 1 12 2 ALA CA C 52.64 0.3 1 13 2 ALA HA H 4.39 0.02 1 14 2 ALA HB H 1.42 0.02 1 15 2 ALA CB C 19.34 0.3 1 16 2 ALA C C 177.55 0.3 1 17 3 SER N N 115.34 0.2 1 18 3 SER H H 8.29 0.02 1 19 3 SER CA C 58.44 0.3 1 20 3 SER HA H 4.55 0.02 1 21 3 SER CB C 64.04 0.3 1 22 3 SER HB2 H 3.93 0.02 1 23 3 SER HB3 H 3.93 0.02 1 24 3 SER C C 174.85 0.3 1 25 4 GLY N N 111.24 0.2 1 26 4 GLY H H 8.35 0.02 1 27 4 GLY CA C 45.24 0.3 1 28 4 GLY HA2 H 3.94 0.02 2 29 4 GLY HA3 H 4.04 0.02 2 30 4 GLY C C 173.45 0.3 1 31 5 VAL N N 120.54 0.2 1 32 5 VAL H H 7.83 0.02 1 33 5 VAL CA C 61.94 0.3 1 34 5 VAL HA H 4.29 0.02 1 35 5 VAL CB C 33.44 0.3 1 36 5 VAL HB H 1.82 0.02 1 37 5 VAL HG1 H 0.84 0.02 2 38 5 VAL HG2 H 0.70 0.02 2 39 5 VAL CG1 C 20.84 0.3 1 40 5 VAL CG2 C 21.44 0.3 1 41 5 VAL C C 176.05 0.3 1 42 6 THR N N 117.44 0.2 1 43 6 THR H H 8.09 0.02 1 44 6 THR CA C 60.34 0.3 1 45 6 THR HA H 4.61 0.02 1 46 6 THR CB C 71.34 0.3 1 47 6 THR HB H 4.26 0.02 1 48 6 THR HG2 H 1.24 0.02 1 49 6 THR CG2 C 21.64 0.3 1 50 6 THR C C 173.25 0.3 1 51 7 VAL N N 122.04 0.2 1 52 7 VAL H H 8.79 0.02 1 53 7 VAL CA C 62.04 0.3 1 54 7 VAL HA H 4.11 0.02 1 55 7 VAL CB C 32.54 0.3 1 56 7 VAL HB H 1.88 0.02 1 57 7 VAL HG1 H 0.64 0.02 2 58 7 VAL HG2 H 0.76 0.02 2 59 7 VAL CG1 C 21.14 0.3 1 60 7 VAL CG2 C 21.94 0.3 1 61 7 VAL C C 174.85 0.3 1 62 8 ASN N N 128.24 0.2 1 63 8 ASN H H 8.71 0.02 1 64 8 ASN CA C 55.24 0.3 1 65 8 ASN HA H 4.58 0.02 1 66 8 ASN CB C 42.04 0.3 1 67 8 ASN HB2 H 2.89 0.02 2 68 8 ASN HB3 H 3.12 0.02 2 69 8 ASN CG C 176.04 0.3 1 70 8 ASN ND2 N 115.40 0.2 1 71 8 ASN HD21 H 7.38 0.02 2 72 8 ASN HD22 H 8.22 0.02 2 73 8 ASN C C 176.15 0.3 1 74 9 ASP N N 125.74 0.2 1 75 9 ASP H H 9.08 0.02 1 76 9 ASP CA C 58.24 0.3 1 77 9 ASP HA H 4.46 0.02 1 78 9 ASP CB C 41.14 0.3 1 79 9 ASP HB2 H 2.75 0.02 1 80 9 ASP HB3 H 2.75 0.02 1 81 9 ASP C C 178.25 0.3 1 82 10 GLU N N 120.44 0.2 1 83 10 GLU H H 9.23 0.02 1 84 10 GLU CA C 59.24 0.3 1 85 10 GLU HA H 4.22 0.02 1 86 10 GLU CB C 29.54 0.3 1 87 10 GLU HB2 H 2.28 0.02 1 88 10 GLU HB3 H 2.28 0.02 1 89 10 GLU CG C 36.14 0.3 1 90 10 GLU HG2 H 2.57 0.02 1 91 10 GLU HG3 H 2.57 0.02 1 92 10 GLU C C 178.65 0.3 1 93 11 VAL N N 119.04 0.2 1 94 11 VAL H H 7.95 0.02 1 95 11 VAL CA C 66.04 0.3 1 96 11 VAL HA H 3.59 0.02 1 97 11 VAL CB C 31.64 0.3 1 98 11 VAL HB H 2.39 0.02 1 99 11 VAL HG1 H 1.13 0.02 2 100 11 VAL HG2 H 0.39 0.02 2 101 11 VAL CG1 C 23.64 0.3 1 102 11 VAL CG2 C 20.34 0.3 1 103 11 VAL C C 176.85 0.3 1 104 12 ILE N N 117.94 0.2 1 105 12 ILE H H 6.89 0.02 1 106 12 ILE CA C 64.24 0.3 1 107 12 ILE HA H 3.83 0.02 1 108 12 ILE CB C 37.84 0.3 1 109 12 ILE HB H 2.21 0.02 1 110 12 ILE HG2 H 1.19 0.02 1 111 12 ILE CG2 C 18.34 0.3 1 112 12 ILE CG1 C 29.44 0.3 1 113 12 ILE HG12 H 1.32 0.02 2 114 12 ILE HG13 H 1.68 0.02 2 115 12 ILE HD1 H 0.97 0.02 1 116 12 ILE CD1 C 13.04 0.3 1 117 12 ILE C C 177.55 0.3 1 118 13 LYS N N 121.04 0.2 1 119 13 LYS H H 7.80 0.02 1 120 13 LYS CA C 60.04 0.3 1 121 13 LYS HA H 4.16 0.02 1 122 13 LYS CB C 32.64 0.3 1 123 13 LYS HB2 H 2.08 0.02 1 124 13 LYS HB3 H 2.08 0.02 1 125 13 LYS CG C 25.34 0.3 1 126 13 LYS HG2 H 1.55 0.02 1 127 13 LYS HG3 H 1.55 0.02 1 128 13 LYS CD C 29.24 0.3 1 129 13 LYS HD2 H 1.79 0.02 1 130 13 LYS HD3 H 1.79 0.02 1 131 13 LYS CE C 42.34 0.3 1 132 13 LYS HE2 H 3.11 0.02 1 133 13 LYS HE3 H 3.11 0.02 1 134 13 LYS C C 178.65 0.3 1 135 14 VAL N N 118.94 0.2 1 136 14 VAL H H 8.13 0.02 1 137 14 VAL CA C 66.44 0.3 1 138 14 VAL HA H 3.93 0.02 1 139 14 VAL CB C 31.74 0.3 1 140 14 VAL HB H 2.52 0.02 1 141 14 VAL HG1 H 1.39 0.02 2 142 14 VAL HG2 H 1.23 0.02 2 143 14 VAL CG1 C 24.44 0.3 1 144 14 VAL CG2 C 23.14 0.3 1 145 14 VAL C C 178.25 0.3 1 146 15 PHE N N 120.44 0.2 1 147 15 PHE H H 7.94 0.02 1 148 15 PHE CA C 61.34 0.3 1 149 15 PHE HA H 3.92 0.02 1 150 15 PHE CB C 39.24 0.3 1 151 15 PHE HB2 H 2.78 0.02 2 152 15 PHE HB3 H 3.08 0.02 2 153 15 PHE HD1 H 6.91 0.02 1 154 15 PHE HD2 H 6.91 0.02 1 155 15 PHE HE1 H 7.19 0.02 1 156 15 PHE HE2 H 7.19 0.02 1 157 15 PHE HZ H 7.18 0.02 1 158 15 PHE C C 176.05 0.3 1 159 16 ASN N N 117.94 0.2 1 160 16 ASN H H 8.72 0.02 1 161 16 ASN CA C 56.44 0.3 1 162 16 ASN HA H 3.99 0.02 1 163 16 ASN CB C 38.14 0.3 1 164 16 ASN HB2 H 2.78 0.02 2 165 16 ASN HB3 H 2.98 0.02 2 166 16 ASN CG C 176.14 0.3 1 167 16 ASN ND2 N 111.80 0.2 1 168 16 ASN HD21 H 7.04 0.02 2 169 16 ASN HD22 H 7.61 0.02 2 170 16 ASN C C 177.85 0.3 1 171 17 ASP N N 119.54 0.2 1 172 17 ASP H H 8.23 0.02 1 173 17 ASP CA C 56.74 0.3 1 174 17 ASP HA H 4.53 0.02 1 175 17 ASP CB C 40.84 0.3 1 176 17 ASP HB2 H 2.73 0.02 2 177 17 ASP HB3 H 2.96 0.02 2 178 17 ASP C C 178.55 0.3 1 179 18 MET N N 118.94 0.2 1 180 18 MET H H 8.02 0.02 1 181 18 MET CA C 58.54 0.3 1 182 18 MET HA H 4.15 0.02 1 183 18 MET CB C 34.84 0.3 1 184 18 MET HB2 H 2.11 0.02 2 185 18 MET HB3 H 1.91 0.02 2 186 18 MET CG C 33.04 0.3 1 187 18 MET HG2 H 2.48 0.02 2 188 18 MET HG3 H 2.93 0.02 2 189 18 MET HE H 1.66 0.02 1 190 18 MET CE C 16.64 0.3 1 191 18 MET C C 177.45 0.3 1 192 19 LYS N N 117.94 0.2 1 193 19 LYS H H 8.03 0.02 1 194 19 LYS CA C 57.74 0.3 1 195 19 LYS HA H 3.85 0.02 1 196 19 LYS CB C 32.14 0.3 1 197 19 LYS HB2 H 1.34 0.02 1 198 19 LYS HB3 H 1.34 0.02 1 199 19 LYS CG C 24.54 0.3 1 200 19 LYS HG2 H 1.17 0.02 1 201 19 LYS HG3 H 1.17 0.02 1 202 19 LYS CD C 29.34 0.3 1 203 19 LYS HD2 H 1.63 0.02 1 204 19 LYS HD3 H 1.63 0.02 1 205 19 LYS CE C 41.64 0.3 1 206 19 LYS HE2 H 2.95 0.02 1 207 19 LYS HE3 H 2.95 0.02 1 208 19 LYS C C 177.05 0.3 1 209 20 VAL N N 117.44 0.2 1 210 20 VAL H H 7.25 0.02 1 211 20 VAL CA C 62.74 0.3 1 212 20 VAL HA H 4.00 0.02 1 213 20 VAL CB C 32.64 0.3 1 214 20 VAL HB H 2.13 0.02 1 215 20 VAL HG1 H 0.95 0.02 2 216 20 VAL HG2 H 1.03 0.02 2 217 20 VAL CG1 C 21.04 0.3 1 218 20 VAL CG2 C 21.34 0.3 1 219 20 VAL C C 175.45 0.3 1 220 21 ARG N N 123.14 0.2 1 221 21 ARG H H 8.06 0.02 1 222 21 ARG CA C 55.94 0.3 1 223 21 ARG HA H 4.15 0.02 1 224 21 ARG CB C 29.64 0.3 1 225 21 ARG HB2 H 1.74 0.02 1 226 21 ARG HB3 H 1.74 0.02 1 227 21 ARG CG C 27.44 0.3 1 228 21 ARG HG2 H 1.58 0.02 1 229 21 ARG HG3 H 1.58 0.02 1 230 21 ARG CD C 43.54 0.3 1 231 21 ARG HD2 H 3.08 0.02 2 232 21 ARG HD3 H 3.16 0.02 2 233 21 ARG NE N 86.10 0.2 1 234 21 ARG HE H 7.78 0.02 1 235 21 ARG C C 175.85 0.3 1 236 22 LYS N N 123.24 0.2 1 237 22 LYS H H 8.50 0.02 1 238 22 LYS CA C 57.14 0.3 1 239 22 LYS HA H 4.30 0.02 1 240 22 LYS CB C 33.34 0.3 1 241 22 LYS HB2 H 1.82 0.02 1 242 22 LYS HB3 H 1.82 0.02 1 243 22 LYS CG C 24.94 0.3 1 244 22 LYS HG2 H 1.42 0.02 1 245 22 LYS HG3 H 1.42 0.02 1 246 22 LYS CD C 29.24 0.3 1 247 22 LYS HD2 H 1.76 0.02 1 248 22 LYS HD3 H 1.76 0.02 1 249 22 LYS CE C 42.14 0.3 1 250 22 LYS HE2 H 3.03 0.02 1 251 22 LYS HE3 H 3.03 0.02 1 252 22 LYS C C 176.75 0.3 1 253 23 SER N N 117.44 0.2 1 254 23 SER H H 8.49 0.02 1 255 23 SER CA C 58.04 0.3 1 256 23 SER HA H 4.60 0.02 1 257 23 SER CB C 64.04 0.3 1 258 23 SER HB2 H 3.88 0.02 1 259 23 SER HB3 H 3.88 0.02 1 260 23 SER C C 174.65 0.3 1 261 24 SER N N 118.94 0.2 1 262 24 SER H H 8.68 0.02 1 263 24 SER CA C 59.54 0.3 1 264 24 SER HA H 4.62 0.02 1 265 24 SER CB C 64.74 0.3 1 266 24 SER HB2 H 3.97 0.02 1 267 24 SER HB3 H 3.97 0.02 1 268 24 SER C C 174.05 0.3 1 269 25 THR N N 113.34 0.2 1 270 25 THR H H 7.92 0.02 1 271 25 THR CA C 59.24 0.3 1 272 25 THR HA H 4.90 0.02 1 273 25 THR CB C 69.54 0.3 1 274 25 THR HB H 4.68 0.02 1 275 25 THR HG2 H 1.34 0.02 1 276 25 THR CG2 C 22.34 0.3 1 277 26 PRO CD C 50.54 0.3 1 278 26 PRO CA C 65.64 0.3 1 279 26 PRO HA H 4.26 0.02 1 280 26 PRO CB C 32.04 0.3 1 281 26 PRO HB2 H 2.01 0.02 2 282 26 PRO HB3 H 2.46 0.02 2 283 26 PRO CG C 28.04 0.3 1 284 26 PRO HG2 H 2.09 0.02 2 285 26 PRO HG3 H 2.29 0.02 2 286 26 PRO HD2 H 3.99 0.02 1 287 26 PRO HD3 H 3.99 0.02 1 288 26 PRO C C 178.95 0.3 1 289 27 GLU N N 116.44 0.2 1 290 27 GLU H H 8.50 0.02 1 291 27 GLU CA C 59.74 0.3 1 292 27 GLU HA H 4.04 0.02 1 293 27 GLU CB C 29.14 0.3 1 294 27 GLU HB2 H 1.98 0.02 2 295 27 GLU HB3 H 2.09 0.02 2 296 27 GLU CG C 36.64 0.3 1 297 27 GLU HG2 H 2.31 0.02 2 298 27 GLU HG3 H 2.42 0.02 2 299 27 GLU C C 178.55 0.3 1 300 28 GLU N N 118.94 0.2 1 301 28 GLU H H 7.68 0.02 1 302 28 GLU CA C 58.84 0.3 1 303 28 GLU HA H 4.01 0.02 1 304 28 GLU CB C 30.14 0.3 1 305 28 GLU HB2 H 2.05 0.02 1 306 28 GLU HB3 H 2.05 0.02 1 307 28 GLU CG C 37.04 0.3 1 308 28 GLU HG2 H 2.26 0.02 2 309 28 GLU HG3 H 2.39 0.02 2 310 28 GLU C C 179.65 0.3 1 311 29 ILE N N 120.54 0.2 1 312 29 ILE H H 7.98 0.02 1 313 29 ILE CA C 65.34 0.3 1 314 29 ILE HA H 3.63 0.02 1 315 29 ILE CB C 38.14 0.3 1 316 29 ILE HB H 1.91 0.02 1 317 29 ILE HG2 H 0.92 0.02 1 318 29 ILE CG2 C 17.14 0.3 1 319 29 ILE CG1 C 29.64 0.3 1 320 29 ILE HG12 H 1.08 0.02 2 321 29 ILE HG13 H 1.70 0.02 2 322 29 ILE HD1 H 0.86 0.02 1 323 29 ILE CD1 C 13.04 0.3 1 324 29 ILE C C 177.45 0.3 1 325 30 LYS N N 115.34 0.2 1 326 30 LYS H H 7.50 0.02 1 327 30 LYS CA C 59.04 0.3 1 328 30 LYS HA H 3.79 0.02 1 329 30 LYS CB C 33.04 0.3 1 330 30 LYS HB2 H 1.89 0.02 1 331 30 LYS HB3 H 1.89 0.02 1 332 30 LYS CG C 26.14 0.3 1 333 30 LYS HG2 H 1.48 0.02 1 334 30 LYS HG3 H 1.48 0.02 1 335 30 LYS CD C 29.64 0.3 1 336 30 LYS HD2 H 1.74 0.02 1 337 30 LYS HD3 H 1.74 0.02 1 338 30 LYS CE C 42.14 0.3 1 339 30 LYS HE2 H 2.98 0.02 1 340 30 LYS HE3 H 2.98 0.02 1 341 30 LYS C C 178.25 0.3 1 342 31 LYS N N 115.84 0.2 1 343 31 LYS H H 7.30 0.02 1 344 31 LYS CA C 55.94 0.3 1 345 31 LYS HA H 4.33 0.02 1 346 31 LYS CB C 33.34 0.3 1 347 31 LYS HB2 H 1.86 0.02 2 348 31 LYS HB3 H 2.04 0.02 2 349 31 LYS CG C 25.54 0.3 1 350 31 LYS HG2 H 1.52 0.02 2 351 31 LYS HG3 H 1.61 0.02 2 352 31 LYS CD C 29.34 0.3 1 353 31 LYS HD2 H 1.72 0.02 1 354 31 LYS HD3 H 1.72 0.02 1 355 31 LYS CE C 42.14 0.3 1 356 31 LYS HE2 H 3.00 0.02 1 357 31 LYS HE3 H 3.00 0.02 1 358 31 LYS C C 175.85 0.3 1 359 32 ARG N N 121.54 0.2 1 360 32 ARG H H 7.55 0.02 1 361 32 ARG CA C 56.94 0.3 1 362 32 ARG HA H 4.18 0.02 1 363 32 ARG CB C 30.84 0.3 1 364 32 ARG HB2 H 1.96 0.02 1 365 32 ARG HB3 H 1.96 0.02 1 366 32 ARG CG C 27.74 0.3 1 367 32 ARG HG2 H 1.77 0.02 2 368 32 ARG HG3 H 2.01 0.02 2 369 32 ARG CD C 44.14 0.3 1 370 32 ARG HD2 H 3.21 0.02 2 371 32 ARG HD3 H 3.35 0.02 2 372 32 ARG NE N 87.40 0.2 1 373 32 ARG HE H 7.63 0.02 1 374 32 ARG C C 176.15 0.3 1 375 33 LYS N N 121.64 0.2 1 376 33 LYS H H 8.86 0.02 1 377 33 LYS CA C 57.44 0.3 1 378 33 LYS HA H 4.39 0.02 1 379 33 LYS CB C 32.84 0.3 1 380 33 LYS HB2 H 1.58 0.02 2 381 33 LYS HB3 H 1.89 0.02 2 382 33 LYS CG C 26.14 0.3 1 383 33 LYS HG2 H 1.58 0.02 1 384 33 LYS HG3 H 1.58 0.02 1 385 33 LYS CD C 28.64 0.3 1 386 33 LYS HD2 H 1.65 0.02 1 387 33 LYS HD3 H 1.65 0.02 1 388 33 LYS CE C 42.94 0.3 1 389 33 LYS HE2 H 3.02 0.02 1 390 33 LYS HE3 H 3.02 0.02 1 391 33 LYS C C 176.15 0.3 1 392 34 LYS N N 124.64 0.2 1 393 34 LYS H H 9.53 0.02 1 394 34 LYS CA C 55.34 0.3 1 395 34 LYS HA H 4.41 0.02 1 396 34 LYS CB C 35.04 0.3 1 397 34 LYS HB2 H 1.39 0.02 2 398 34 LYS HB3 H 1.66 0.02 2 399 34 LYS CG C 24.64 0.3 1 400 34 LYS HG2 H 1.12 0.02 1 401 34 LYS HG3 H 1.12 0.02 1 402 34 LYS CD C 29.34 0.3 1 403 34 LYS HD2 H 1.42 0.02 1 404 34 LYS HD3 H 1.42 0.02 1 405 34 LYS C C 173.25 0.3 1 406 35 ALA N N 116.94 0.2 1 407 35 ALA H H 7.81 0.02 1 408 35 ALA CA C 51.14 0.3 1 409 35 ALA HA H 5.25 0.02 1 410 35 ALA HB H 1.39 0.02 1 411 35 ALA CB C 23.84 0.3 1 412 35 ALA C C 175.55 0.3 1 413 36 VAL N N 117.44 0.2 1 414 36 VAL H H 8.58 0.02 1 415 36 VAL CA C 60.94 0.3 1 416 36 VAL HA H 4.70 0.02 1 417 36 VAL CB C 35.74 0.3 1 418 36 VAL HB H 1.99 0.02 1 419 36 VAL HG1 H 0.86 0.02 2 420 36 VAL HG2 H 0.92 0.02 2 421 36 VAL CG1 C 21.84 0.3 1 422 36 VAL CG2 C 21.84 0.3 1 423 36 VAL C C 172.05 0.3 1 424 37 LEU N N 124.84 0.2 1 425 37 LEU H H 7.69 0.02 1 426 37 LEU CA C 54.54 0.3 1 427 37 LEU HA H 5.18 0.02 1 428 37 LEU CB C 45.14 0.3 1 429 37 LEU HB2 H 1.89 0.02 2 430 37 LEU HB3 H 2.20 0.02 2 431 37 LEU CG C 30.44 0.3 1 432 37 LEU HG H 1.85 0.02 1 433 37 LEU CD1 C 25.14 0.3 1 434 37 LEU CD2 C 26.34 0.3 1 435 37 LEU HD1 H 0.87 0.02 1 436 37 LEU HD2 H 0.87 0.02 1 437 37 LEU C C 175.45 0.3 1 438 38 PHE N N 117.04 0.2 1 439 38 PHE H H 9.21 0.02 1 440 38 PHE CA C 55.34 0.3 1 441 38 PHE HA H 5.84 0.02 1 442 38 PHE CB C 41.94 0.3 1 443 38 PHE HB2 H 3.07 0.02 2 444 38 PHE HB3 H 3.53 0.02 2 445 38 PHE HD1 H 7.31 0.02 1 446 38 PHE HD2 H 7.31 0.02 1 447 38 PHE HE1 H 7.22 0.02 1 448 38 PHE HE2 H 7.22 0.02 1 449 38 PHE HZ H 7.38 0.02 1 450 38 PHE C C 174.65 0.3 1 451 39 CYS N N 117.04 0.2 1 452 39 CYS H H 9.26 0.02 1 453 39 CYS CA C 54.24 0.3 1 454 39 CYS HA H 5.86 0.02 1 455 39 CYS CB C 33.14 0.3 1 456 39 CYS HB2 H 2.54 0.02 2 457 39 CYS HB3 H 3.54 0.02 2 458 39 CYS C C 172.25 0.3 1 459 40 LEU N N 118.54 0.2 1 460 40 LEU H H 7.91 0.02 1 461 40 LEU CA C 54.24 0.3 1 462 40 LEU HA H 5.11 0.02 1 463 40 LEU CB C 44.14 0.3 1 464 40 LEU HB2 H 1.63 0.02 1 465 40 LEU HB3 H 1.63 0.02 1 466 40 LEU CG C 27.64 0.3 1 467 40 LEU HG H 1.38 0.02 1 468 40 LEU HD1 H 0.56 0.02 2 469 40 LEU HD2 H 0.64 0.02 2 470 40 LEU CD1 C 23.84 0.3 1 471 40 LEU CD2 C 26.34 0.3 1 472 40 LEU C C 178.55 0.3 1 473 41 SER N N 117.94 0.2 1 474 41 SER H H 9.31 0.02 1 475 41 SER CA C 58.44 0.3 1 476 41 SER HA H 4.38 0.02 1 477 41 SER CB C 64.14 0.3 1 478 41 SER HB2 H 4.01 0.02 2 479 41 SER HB3 H 4.56 0.02 2 480 41 SER C C 176.55 0.3 1 481 42 ASP N N 124.64 0.2 1 482 42 ASP H H 9.30 0.02 1 483 42 ASP CA C 58.24 0.3 1 484 42 ASP HA H 4.49 0.02 1 485 42 ASP CB C 40.64 0.3 1 486 42 ASP HB2 H 2.78 0.02 1 487 42 ASP HB3 H 2.78 0.02 1 488 42 ASP C C 177.45 0.3 1 489 43 ASP N N 115.84 0.2 1 490 43 ASP H H 8.17 0.02 1 491 43 ASP CA C 53.24 0.3 1 492 43 ASP HA H 4.53 0.02 1 493 43 ASP CB C 39.94 0.3 1 494 43 ASP HB2 H 2.72 0.02 2 495 43 ASP HB3 H 3.11 0.02 2 496 43 ASP C C 175.75 0.3 1 497 44 LYS N N 113.34 0.2 1 498 44 LYS H H 8.17 0.02 1 499 44 LYS CA C 57.54 0.3 1 500 44 LYS HA H 3.73 0.02 1 501 44 LYS CB C 29.34 0.3 1 502 44 LYS HB2 H 2.05 0.02 2 503 44 LYS HB3 H 2.22 0.02 2 504 44 LYS CG C 25.54 0.3 1 505 44 LYS HG2 H 1.39 0.02 2 506 44 LYS HG3 H 1.54 0.02 2 507 44 LYS CD C 29.04 0.3 1 508 44 LYS HD2 H 1.77 0.02 1 509 44 LYS HD3 H 1.77 0.02 1 510 44 LYS CE C 42.44 0.3 1 511 44 LYS HE2 H 3.13 0.02 1 512 44 LYS HE3 H 3.13 0.02 1 513 44 LYS C C 174.75 0.3 1 514 45 LYS N N 113.94 0.2 1 515 45 LYS H H 7.65 0.02 1 516 45 LYS CA C 57.04 0.3 1 517 45 LYS HA H 4.40 0.02 1 518 45 LYS CB C 33.74 0.3 1 519 45 LYS HB2 H 1.91 0.02 1 520 45 LYS HB3 H 1.91 0.02 1 521 45 LYS CG C 25.24 0.3 1 522 45 LYS HG2 H 1.33 0.02 1 523 45 LYS HG3 H 1.33 0.02 1 524 45 LYS CD C 28.84 0.3 1 525 45 LYS HD2 H 1.63 0.02 1 526 45 LYS HD3 H 1.63 0.02 1 527 45 LYS CE C 42.14 0.3 1 528 45 LYS HE2 H 3.02 0.02 1 529 45 LYS HE3 H 3.02 0.02 1 530 45 LYS C C 176.85 0.3 1 531 46 GLN N N 116.44 0.2 1 532 46 GLN H H 8.06 0.02 1 533 46 GLN CA C 54.14 0.3 1 534 46 GLN HA H 5.63 0.02 1 535 46 GLN CB C 34.04 0.3 1 536 46 GLN HB2 H 1.85 0.02 2 537 46 GLN HB3 H 2.02 0.02 2 538 46 GLN CG C 34.14 0.3 1 539 46 GLN HG2 H 2.32 0.02 1 540 46 GLN HG3 H 2.32 0.02 1 541 46 GLN CD C 180.74 0.3 1 542 46 GLN NE2 N 111.80 0.2 1 543 46 GLN HE21 H 7.00 0.02 2 544 46 GLN HE22 H 7.48 0.02 2 545 46 GLN C C 174.35 0.3 1 546 47 ILE N N 122.14 0.2 1 547 47 ILE H H 8.52 0.02 1 548 47 ILE CA C 60.34 0.3 1 549 47 ILE HA H 4.73 0.02 1 550 47 ILE CB C 39.04 0.3 1 551 47 ILE HB H 1.67 0.02 1 552 47 ILE HG2 H 1.08 0.02 1 553 47 ILE CG2 C 18.74 0.3 1 554 47 ILE CG1 C 27.84 0.3 1 555 47 ILE HG12 H 1.54 0.02 2 556 47 ILE HG13 H 1.07 0.02 2 557 47 ILE HD1 H 0.69 0.02 1 558 47 ILE CD1 C 13.14 0.3 1 559 47 ILE C C 174.35 0.3 1 560 48 ILE N N 120.04 0.2 1 561 48 ILE H H 9.28 0.02 1 562 48 ILE CA C 59.74 0.3 1 563 48 ILE HA H 4.86 0.02 1 564 48 ILE CB C 42.84 0.3 1 565 48 ILE HB H 2.20 0.02 1 566 48 ILE HG2 H 0.98 0.02 1 567 48 ILE CG2 C 19.04 0.3 1 568 48 ILE CG1 C 26.54 0.3 1 569 48 ILE HG12 H 1.01 0.02 2 570 48 ILE HG13 H 1.41 0.02 2 571 48 ILE HD1 H 0.86 0.02 1 572 48 ILE CD1 C 14.14 0.3 1 573 48 ILE C C 175.55 0.3 1 574 49 VAL N N 120.54 0.2 1 575 49 VAL H H 8.69 0.02 1 576 49 VAL CA C 63.84 0.3 1 577 49 VAL HA H 4.26 0.02 1 578 49 VAL CB C 32.84 0.3 1 579 49 VAL HB H 2.20 0.02 1 580 49 VAL HG1 H 1.26 0.02 2 581 49 VAL HG2 H 0.94 0.02 2 582 49 VAL CG1 C 23.04 0.3 1 583 49 VAL CG2 C 21.44 0.3 1 584 49 VAL C C 175.85 0.3 1 585 50 GLU N N 132.04 0.2 1 586 50 GLU H H 8.72 0.02 1 587 50 GLU CA C 55.34 0.3 1 588 50 GLU HA H 4.52 0.02 1 589 50 GLU CB C 29.04 0.3 1 590 50 GLU HB2 H 1.54 0.02 2 591 50 GLU HB3 H 2.37 0.02 2 592 50 GLU CG C 37.14 0.3 1 593 50 GLU HG2 H 2.17 0.02 2 594 50 GLU HG3 H 2.29 0.02 2 595 50 GLU C C 175.75 0.3 1 596 51 GLU N N 127.74 0.2 1 597 51 GLU H H 7.96 0.02 1 598 51 GLU CA C 59.44 0.3 1 599 51 GLU HA H 3.87 0.02 1 600 51 GLU CB C 30.24 0.3 1 601 51 GLU HB2 H 2.08 0.02 1 602 51 GLU HB3 H 2.08 0.02 1 603 51 GLU CG C 36.24 0.3 1 604 51 GLU HG2 H 2.33 0.02 1 605 51 GLU HG3 H 2.33 0.02 1 606 51 GLU C C 176.55 0.3 1 607 52 ALA N N 118.54 0.2 1 608 52 ALA H H 8.71 0.02 1 609 52 ALA CA C 53.64 0.3 1 610 52 ALA HA H 4.28 0.02 1 611 52 ALA HB H 1.57 0.02 1 612 52 ALA CB C 18.84 0.3 1 613 52 ALA C C 177.75 0.3 1 614 53 LYS N N 120.54 0.2 1 615 53 LYS H H 7.82 0.02 1 616 53 LYS CA C 53.04 0.3 1 617 53 LYS HA H 4.69 0.02 1 618 53 LYS CB C 32.84 0.3 1 619 53 LYS HB2 H 1.62 0.02 2 620 53 LYS HB3 H 2.04 0.02 2 621 53 LYS CG C 23.74 0.3 1 622 53 LYS HG2 H 1.24 0.02 2 623 53 LYS HG3 H 1.52 0.02 2 624 53 LYS CD C 29.04 0.3 1 625 53 LYS HD2 H 1.79 0.02 1 626 53 LYS HD3 H 1.79 0.02 1 627 53 LYS CE C 42.44 0.3 1 628 53 LYS HE2 H 2.98 0.02 1 629 53 LYS HE3 H 2.98 0.02 1 630 53 LYS C C 172.25 0.3 1 631 54 GLN N N 115.34 0.2 1 632 54 GLN H H 7.51 0.02 1 633 54 GLN CA C 53.84 0.3 1 634 54 GLN HA H 5.07 0.02 1 635 54 GLN CB C 32.14 0.3 1 636 54 GLN HB2 H 2.06 0.02 2 637 54 GLN HB3 H 2.19 0.02 2 638 54 GLN CG C 32.54 0.3 1 639 54 GLN HG2 H 2.23 0.02 2 640 54 GLN HG3 H 2.43 0.02 2 641 54 GLN CD C 180.04 0.3 1 642 54 GLN NE2 N 110.10 0.2 1 643 54 GLN HE21 H 7.03 0.02 2 644 54 GLN HE22 H 7.64 0.02 2 645 54 GLN C C 174.45 0.3 1 646 55 ILE N N 119.54 0.2 1 647 55 ILE H H 8.68 0.02 1 648 55 ILE CA C 59.44 0.3 1 649 55 ILE HA H 4.51 0.02 1 650 55 ILE CB C 41.04 0.3 1 651 55 ILE HB H 1.71 0.02 1 652 55 ILE HG2 H 1.04 0.02 1 653 55 ILE CG2 C 17.14 0.3 1 654 55 ILE CG1 C 27.14 0.3 1 655 55 ILE HG12 H 1.38 0.02 2 656 55 ILE HG13 H 1.57 0.02 2 657 55 ILE HD1 H 0.91 0.02 1 658 55 ILE CD1 C 13.14 0.3 1 659 55 ILE C C 175.05 0.3 1 660 56 LEU N N 129.84 0.2 1 661 56 LEU H H 9.42 0.02 1 662 56 LEU CA C 53.44 0.3 1 663 56 LEU HA H 5.09 0.02 1 664 56 LEU CB C 42.24 0.3 1 665 56 LEU HB2 H 1.76 0.02 1 666 56 LEU HB3 H 1.76 0.02 1 667 56 LEU CG C 27.44 0.3 1 668 56 LEU HG H 1.82 0.02 1 669 56 LEU HD1 H 0.99 0.02 2 670 56 LEU HD2 H 0.86 0.02 2 671 56 LEU CD1 C 25.54 0.3 1 672 56 LEU CD2 C 23.24 0.3 1 673 56 LEU C C 178.25 0.3 1 674 57 VAL N N 124.14 0.2 1 675 57 VAL H H 9.27 0.02 1 676 57 VAL CA C 67.24 0.3 1 677 57 VAL HA H 3.55 0.02 1 678 57 VAL CB C 31.04 0.3 1 679 57 VAL HB H 2.37 0.02 1 680 57 VAL CG1 C 21.44 0.3 1 681 57 VAL CG2 C 24.64 0.3 1 682 57 VAL HG1 H 0.92 0.02 1 683 57 VAL HG2 H 0.92 0.02 1 684 57 VAL C C 179.65 0.3 1 685 58 GLY N N 105.04 0.2 1 686 58 GLY H H 8.68 0.02 1 687 58 GLY CA C 46.24 0.3 1 688 58 GLY HA2 H 4.08 0.02 2 689 58 GLY HA3 H 3.96 0.02 2 690 58 GLY C C 173.95 0.3 1 691 59 ASP N N 118.44 0.2 1 692 59 ASP H H 7.79 0.02 1 693 59 ASP CA C 56.44 0.3 1 694 59 ASP HA H 4.73 0.02 1 695 59 ASP CB C 41.54 0.3 1 696 59 ASP HB2 H 2.92 0.02 1 697 59 ASP HB3 H 2.92 0.02 1 698 59 ASP C C 178.55 0.3 1 699 60 ILE N N 122.54 0.2 1 700 60 ILE H H 7.77 0.02 1 701 60 ILE CA C 63.14 0.3 1 702 60 ILE HA H 4.13 0.02 1 703 60 ILE CB C 37.14 0.3 1 704 60 ILE HB H 2.14 0.02 1 705 60 ILE HG2 H 1.03 0.02 1 706 60 ILE CG2 C 17.34 0.3 1 707 60 ILE CG1 C 28.04 0.3 1 708 60 ILE HG12 H 0.83 0.02 2 709 60 ILE HG13 H 1.94 0.02 2 710 60 ILE HD1 H 1.05 0.02 1 711 60 ILE CD1 C 14.34 0.3 1 712 60 ILE C C 177.15 0.3 1 713 61 GLY N N 117.44 0.2 1 714 61 GLY H H 9.01 0.02 1 715 61 GLY CA C 45.34 0.3 1 716 61 GLY HA2 H 4.43 0.02 2 717 61 GLY HA3 H 3.87 0.02 2 718 61 GLY C C 173.05 0.3 1 719 62 ASP N N 120.54 0.2 1 720 62 ASP H H 8.02 0.02 1 721 62 ASP CA C 54.74 0.3 1 722 62 ASP HA H 4.96 0.02 1 723 62 ASP CB C 41.94 0.3 1 724 62 ASP HB2 H 2.76 0.02 2 725 62 ASP HB3 H 2.86 0.02 2 726 62 ASP C C 175.45 0.3 1 727 63 THR N N 108.14 0.2 1 728 63 THR H H 7.79 0.02 1 729 63 THR CA C 62.14 0.3 1 730 63 THR HA H 4.43 0.02 1 731 63 THR CB C 70.14 0.3 1 732 63 THR HB H 4.40 0.02 1 733 63 THR HG2 H 1.30 0.02 1 734 63 THR CG2 C 22.04 0.3 1 735 63 THR C C 174.85 0.3 1 736 64 VAL N N 121.54 0.2 1 737 64 VAL H H 7.82 0.02 1 738 64 VAL CA C 60.94 0.3 1 739 64 VAL HA H 4.32 0.02 1 740 64 VAL CB C 34.14 0.3 1 741 64 VAL HB H 1.82 0.02 1 742 64 VAL HG1 H 0.95 0.02 2 743 64 VAL HG2 H 0.81 0.02 2 744 64 VAL CG1 C 21.14 0.3 1 745 64 VAL CG2 C 21.44 0.3 1 746 64 VAL C C 174.65 0.3 1 747 65 GLU N N 127.74 0.2 1 748 65 GLU H H 8.64 0.02 1 749 65 GLU CA C 57.64 0.3 1 750 65 GLU HA H 4.42 0.02 1 751 65 GLU CB C 30.14 0.3 1 752 65 GLU HB2 H 2.07 0.02 1 753 65 GLU HB3 H 2.07 0.02 1 754 65 GLU CG C 36.24 0.3 1 755 65 GLU HG2 H 2.35 0.02 1 756 65 GLU HG3 H 2.35 0.02 1 757 65 GLU C C 175.55 0.3 1 758 66 ASP N N 118.04 0.2 1 759 66 ASP H H 7.92 0.02 1 760 66 ASP CA C 50.34 0.3 1 761 66 ASP HA H 5.31 0.02 1 762 66 ASP CB C 43.14 0.3 1 763 66 ASP HB2 H 2.81 0.02 2 764 66 ASP HB3 H 3.06 0.02 2 765 67 PRO CD C 50.94 0.3 1 766 67 PRO CA C 64.64 0.3 1 767 67 PRO HA H 4.27 0.02 1 768 67 PRO CB C 32.34 0.3 1 769 67 PRO HB2 H 2.12 0.02 2 770 67 PRO HB3 H 2.21 0.02 2 771 67 PRO CG C 27.04 0.3 1 772 67 PRO HG2 H 2.25 0.02 2 773 67 PRO HG3 H 2.36 0.02 2 774 67 PRO HD2 H 3.90 0.02 2 775 67 PRO HD3 H 4.37 0.02 2 776 67 PRO C C 176.05 0.3 1 777 68 TYR N N 120.64 0.2 1 778 68 TYR H H 8.11 0.02 1 779 68 TYR CA C 63.04 0.3 1 780 68 TYR HA H 4.32 0.02 1 781 68 TYR CB C 38.84 0.3 1 782 68 TYR HB2 H 3.10 0.02 2 783 68 TYR HB3 H 3.24 0.02 2 784 68 TYR HD1 H 6.70 0.02 1 785 68 TYR HD2 H 6.70 0.02 1 786 68 TYR HE1 H 6.56 0.02 1 787 68 TYR HE2 H 6.56 0.02 1 788 68 TYR C C 177.15 0.3 1 789 69 THR N N 114.34 0.2 1 790 69 THR H H 7.76 0.02 1 791 69 THR CA C 66.14 0.3 1 792 69 THR HA H 3.77 0.02 1 793 69 THR CB C 68.84 0.3 1 794 69 THR HB H 4.24 0.02 1 795 69 THR HG2 H 1.38 0.02 1 796 69 THR CG2 C 22.44 0.3 1 797 69 THR C C 176.75 0.3 1 798 70 ALA N N 122.04 0.2 1 799 70 ALA H H 7.91 0.02 1 800 70 ALA CA C 55.04 0.3 1 801 70 ALA HA H 4.03 0.02 1 802 70 ALA HB H 1.54 0.02 1 803 70 ALA CB C 19.44 0.3 1 804 70 ALA C C 179.15 0.3 1 805 71 PHE N N 120.14 0.2 1 806 71 PHE H H 7.91 0.02 1 807 71 PHE CA C 59.74 0.3 1 808 71 PHE HA H 4.05 0.02 1 809 71 PHE CB C 38.44 0.3 1 810 71 PHE HB2 H 3.16 0.02 2 811 71 PHE HB3 H 3.29 0.02 2 812 71 PHE HD1 H 6.63 0.02 1 813 71 PHE HD2 H 6.63 0.02 1 814 71 PHE HE1 H 7.13 0.02 1 815 71 PHE HE2 H 7.13 0.02 1 816 71 PHE HZ H 6.42 0.02 1 817 71 PHE C C 175.85 0.3 1 818 72 VAL N N 118.94 0.2 1 819 72 VAL H H 7.64 0.02 1 820 72 VAL CA C 66.14 0.3 1 821 72 VAL HA H 2.48 0.02 1 822 72 VAL CB C 31.14 0.3 1 823 72 VAL HB H 1.85 0.02 1 824 72 VAL CG1 C 21.84 0.3 1 825 72 VAL CG2 C 23.14 0.3 1 826 72 VAL HG1 H 0.52 0.02 1 827 72 VAL HG2 H 0.52 0.02 1 828 72 VAL C C 178.45 0.3 1 829 73 LYS N N 115.94 0.2 1 830 73 LYS H H 7.21 0.02 1 831 73 LYS CA C 57.84 0.3 1 832 73 LYS HA H 3.87 0.02 1 833 73 LYS CB C 32.74 0.3 1 834 73 LYS HB2 H 1.85 0.02 1 835 73 LYS HB3 H 1.85 0.02 1 836 73 LYS CG C 25.54 0.3 1 837 73 LYS HG2 H 1.47 0.02 1 838 73 LYS HG3 H 1.47 0.02 1 839 73 LYS CD C 29.24 0.3 1 840 73 LYS HD2 H 1.61 0.02 1 841 73 LYS HD3 H 1.61 0.02 1 842 73 LYS CE C 42.04 0.3 1 843 73 LYS HE2 H 2.98 0.02 1 844 73 LYS HE3 H 2.98 0.02 1 845 73 LYS C C 177.45 0.3 1 846 74 LEU N N 118.14 0.2 1 847 74 LEU H H 7.53 0.02 1 848 74 LEU CA C 55.64 0.3 1 849 74 LEU HA H 4.00 0.02 1 850 74 LEU CB C 43.14 0.3 1 851 74 LEU HB2 H 1.24 0.02 2 852 74 LEU HB3 H 1.89 0.02 2 853 74 LEU CG C 25.24 0.3 1 854 74 LEU HG H 2.12 0.02 1 855 74 LEU HD1 H 0.79 0.02 2 856 74 LEU HD2 H 0.75 0.02 2 857 74 LEU CD1 C 22.54 0.3 1 858 74 LEU CD2 C 25.24 0.3 1 859 74 LEU C C 177.45 0.3 1 860 75 LEU N N 118.44 0.2 1 861 75 LEU H H 6.65 0.02 1 862 75 LEU CA C 52.54 0.3 1 863 75 LEU HA H 3.64 0.02 1 864 75 LEU CB C 38.44 0.3 1 865 75 LEU HB2 H -0.89 0.02 2 866 75 LEU HB3 H 0.64 0.02 2 867 75 LEU CG C 24.24 0.3 1 868 75 LEU HG H 0.75 0.02 1 869 75 LEU HD1 H -0.14 0.02 2 870 75 LEU HD2 H -0.59 0.02 2 871 75 LEU CD1 C 21.24 0.3 1 872 75 LEU CD2 C 24.04 0.3 1 873 76 PRO CD C 50.24 0.3 1 874 76 PRO CA C 61.84 0.3 1 875 76 PRO HA H 4.59 0.02 1 876 76 PRO CB C 31.54 0.3 1 877 76 PRO HB2 H 2.09 0.02 2 878 76 PRO HB3 H 2.27 0.02 2 879 76 PRO CG C 26.84 0.3 1 880 76 PRO HG2 H 1.92 0.02 2 881 76 PRO HG3 H 2.48 0.02 2 882 76 PRO HD2 H 3.31 0.02 2 883 76 PRO HD3 H 3.85 0.02 2 884 76 PRO C C 177.55 0.3 1 885 77 LEU N N 122.04 0.2 1 886 77 LEU H H 8.73 0.02 1 887 77 LEU CA C 57.04 0.3 1 888 77 LEU HA H 4.33 0.02 1 889 77 LEU CB C 41.24 0.3 1 890 77 LEU HB2 H 1.59 0.02 2 891 77 LEU HB3 H 1.72 0.02 2 892 77 LEU CG C 27.74 0.3 1 893 77 LEU HG H 1.88 0.02 1 894 77 LEU CD1 C 25.34 0.3 1 895 77 LEU CD2 C 23.14 0.3 1 896 77 LEU HD1 H 1.04 0.02 1 897 77 LEU HD2 H 1.04 0.02 1 898 77 LEU C C 176.85 0.3 1 899 78 ASN N N 111.34 0.2 1 900 78 ASN H H 7.98 0.02 1 901 78 ASN CA C 51.14 0.3 1 902 78 ASN HA H 4.73 0.02 1 903 78 ASN CB C 39.04 0.3 1 904 78 ASN HB2 H 2.81 0.02 2 905 78 ASN HB3 H 2.98 0.02 2 906 78 ASN CG C 178.04 0.3 1 907 78 ASN ND2 N 111.80 0.2 1 908 78 ASN HD21 H 6.85 0.02 2 909 78 ASN HD22 H 7.57 0.02 2 910 78 ASN C C 173.95 0.3 1 911 79 ASP N N 114.84 0.2 1 912 79 ASP H H 7.39 0.02 1 913 79 ASP CA C 52.84 0.3 1 914 79 ASP HA H 5.00 0.02 1 915 79 ASP CB C 43.84 0.3 1 916 79 ASP HB2 H 2.70 0.02 2 917 79 ASP HB3 H 2.41 0.02 2 918 79 ASP C C 173.05 0.3 1 919 80 CYS N N 115.34 0.2 1 920 80 CYS H H 7.63 0.02 1 921 80 CYS CA C 57.54 0.3 1 922 80 CYS HA H 4.63 0.02 1 923 80 CYS CB C 29.14 0.3 1 924 80 CYS HB2 H 1.53 0.02 2 925 80 CYS HB3 H 2.38 0.02 2 926 80 CYS C C 173.95 0.3 1 927 81 ARG N N 116.44 0.2 1 928 81 ARG H H 9.06 0.02 1 929 81 ARG CA C 54.14 0.3 1 930 81 ARG HA H 4.74 0.02 1 931 81 ARG CB C 38.34 0.3 1 932 81 ARG HB2 H 1.78 0.02 2 933 81 ARG HB3 H 2.33 0.02 2 934 81 ARG CG C 29.44 0.3 1 935 81 ARG HG2 H 1.48 0.02 1 936 81 ARG HG3 H 1.48 0.02 1 937 81 ARG CD C 43.44 0.3 1 938 81 ARG HD2 H 3.16 0.02 1 939 81 ARG HD3 H 3.16 0.02 1 940 81 ARG NE N 84.10 0.2 1 941 81 ARG HE H 9.93 0.02 1 942 81 ARG C C 175.75 0.3 1 943 82 TYR N N 116.34 0.2 1 944 82 TYR H H 8.23 0.02 1 945 82 TYR CA C 55.34 0.3 1 946 82 TYR HA H 6.16 0.02 1 947 82 TYR CB C 41.54 0.3 1 948 82 TYR HB2 H 3.26 0.02 2 949 82 TYR HB3 H 3.70 0.02 2 950 82 TYR HD1 H 7.09 0.02 1 951 82 TYR HD2 H 7.09 0.02 1 952 82 TYR HE1 H 6.20 0.02 1 953 82 TYR HE2 H 6.20 0.02 1 954 82 TYR C C 174.85 0.3 1 955 83 ALA N N 122.04 0.2 1 956 83 ALA H H 9.57 0.02 1 957 83 ALA CA C 51.64 0.3 1 958 83 ALA HA H 5.69 0.02 1 959 83 ALA HB H 1.65 0.02 1 960 83 ALA CB C 23.84 0.3 1 961 83 ALA C C 176.15 0.3 1 962 84 LEU N N 118.54 0.2 1 963 84 LEU H H 8.51 0.02 1 964 84 LEU CA C 53.84 0.3 1 965 84 LEU HA H 5.63 0.02 1 966 84 LEU CB C 46.54 0.3 1 967 84 LEU HB2 H 1.43 0.02 2 968 84 LEU HB3 H 1.84 0.02 2 969 84 LEU CG C 27.74 0.3 1 970 84 LEU HG H 1.96 0.02 1 971 84 LEU HD1 H 1.15 0.02 2 972 84 LEU HD2 H 1.02 0.02 2 973 84 LEU CD1 C 24.44 0.3 1 974 84 LEU CD2 C 27.14 0.3 1 975 84 LEU C C 174.45 0.3 1 976 85 TYR N N 123.14 0.2 1 977 85 TYR H H 8.78 0.02 1 978 85 TYR CA C 57.04 0.3 1 979 85 TYR HA H 4.59 0.02 1 980 85 TYR CB C 42.74 0.3 1 981 85 TYR HB2 H 1.96 0.02 2 982 85 TYR HB3 H 2.68 0.02 2 983 85 TYR HD1 H 6.32 0.02 1 984 85 TYR HD2 H 6.32 0.02 1 985 85 TYR HE1 H 6.58 0.02 1 986 85 TYR HE2 H 6.58 0.02 1 987 85 TYR C C 173.05 0.3 1 988 86 ASP N N 128.84 0.2 1 989 86 ASP H H 8.02 0.02 1 990 86 ASP CA C 52.54 0.3 1 991 86 ASP HA H 4.93 0.02 1 992 86 ASP CB C 40.34 0.3 1 993 86 ASP HB2 H 2.97 0.02 2 994 86 ASP HB3 H 2.02 0.02 2 995 86 ASP C C 173.35 0.3 1 996 87 ALA N N 128.24 0.2 1 997 87 ALA H H 8.83 0.02 1 998 87 ALA CA C 51.74 0.3 1 999 87 ALA HA H 4.76 0.02 1 1000 87 ALA HB H 1.51 0.02 1 1001 87 ALA CB C 20.54 0.3 1 1002 87 ALA C C 177.15 0.3 1 1003 88 THR N N 120.04 0.2 1 1004 88 THR H H 8.40 0.02 1 1005 88 THR CA C 62.24 0.3 1 1006 88 THR HA H 5.09 0.02 1 1007 88 THR CB C 69.74 0.3 1 1008 88 THR HB H 4.24 0.02 1 1009 88 THR HG2 H 1.25 0.02 1 1010 88 THR CG2 C 22.54 0.3 1 1011 88 THR C C 173.25 0.3 1 1012 89 TYR N N 124.64 0.2 1 1013 89 TYR H H 9.08 0.02 1 1014 89 TYR CA C 55.84 0.3 1 1015 89 TYR HA H 5.52 0.02 1 1016 89 TYR CB C 39.34 0.3 1 1017 89 TYR HB2 H 3.08 0.02 2 1018 89 TYR HB3 H 3.41 0.02 2 1019 89 TYR HD1 H 6.76 0.02 1 1020 89 TYR HD2 H 6.76 0.02 1 1021 89 TYR HE1 H 6.54 0.02 1 1022 89 TYR HE2 H 6.54 0.02 1 1023 89 TYR C C 172.35 0.3 1 1024 90 GLU N N 117.44 0.2 1 1025 90 GLU H H 8.24 0.02 1 1026 90 GLU CA C 55.04 0.3 1 1027 90 GLU HA H 5.18 0.02 1 1028 90 GLU CB C 33.44 0.3 1 1029 90 GLU HB2 H 1.90 0.02 2 1030 90 GLU HB3 H 2.16 0.02 2 1031 90 GLU CG C 36.54 0.3 1 1032 90 GLU HG2 H 2.19 0.02 1 1033 90 GLU HG3 H 2.19 0.02 1 1034 90 GLU C C 176.75 0.3 1 1035 91 THR N N 114.34 0.2 1 1036 91 THR H H 8.76 0.02 1 1037 91 THR CA C 59.44 0.3 1 1038 91 THR HA H 5.44 0.02 1 1039 91 THR CB C 71.54 0.3 1 1040 91 THR HB H 4.79 0.02 1 1041 91 THR HG2 H 1.35 0.02 1 1042 91 THR CG2 C 22.04 0.3 1 1043 91 THR C C 174.65 0.3 1 1044 92 LYS N N 117.94 0.2 1 1045 92 LYS H H 8.82 0.02 1 1046 92 LYS CA C 59.24 0.3 1 1047 92 LYS HA H 4.12 0.02 1 1048 92 LYS CB C 32.64 0.3 1 1049 92 LYS HB2 H 1.95 0.02 1 1050 92 LYS HB3 H 1.95 0.02 1 1051 92 LYS CG C 25.54 0.3 1 1052 92 LYS HG2 H 1.56 0.02 1 1053 92 LYS HG3 H 1.56 0.02 1 1054 92 LYS CD C 29.44 0.3 1 1055 92 LYS HD2 H 1.78 0.02 1 1056 92 LYS HD3 H 1.78 0.02 1 1057 92 LYS CE C 42.14 0.3 1 1058 92 LYS HE2 H 3.11 0.02 1 1059 92 LYS HE3 H 3.11 0.02 1 1060 92 LYS C C 176.85 0.3 1 1061 93 GLU N N 114.34 0.2 1 1062 93 GLU H H 8.03 0.02 1 1063 93 GLU CA C 57.34 0.3 1 1064 93 GLU HA H 4.45 0.02 1 1065 93 GLU CB C 31.94 0.3 1 1066 93 GLU HB2 H 1.98 0.02 2 1067 93 GLU HB3 H 2.07 0.02 2 1068 93 GLU CG C 36.54 0.3 1 1069 93 GLU HG2 H 2.28 0.02 1 1070 93 GLU HG3 H 2.28 0.02 1 1071 93 GLU C C 176.45 0.3 1 1072 94 SER N N 112.34 0.2 1 1073 94 SER H H 7.55 0.02 1 1074 94 SER CA C 58.24 0.3 1 1075 94 SER HA H 4.72 0.02 1 1076 94 SER CB C 66.04 0.3 1 1077 94 SER HB2 H 3.76 0.02 1 1078 94 SER HB3 H 3.76 0.02 1 1079 94 SER C C 172.35 0.3 1 1080 95 LYS N N 123.14 0.2 1 1081 95 LYS H H 8.36 0.02 1 1082 95 LYS CA C 56.94 0.3 1 1083 95 LYS HA H 4.63 0.02 1 1084 95 LYS CB C 33.24 0.3 1 1085 95 LYS HB2 H 1.74 0.02 2 1086 95 LYS HB3 H 1.88 0.02 2 1087 95 LYS CG C 25.24 0.3 1 1088 95 LYS HG2 H 1.30 0.02 2 1089 95 LYS HG3 H 1.47 0.02 2 1090 95 LYS CD C 29.44 0.3 1 1091 95 LYS HD2 H 1.65 0.02 1 1092 95 LYS HD3 H 1.65 0.02 1 1093 95 LYS CE C 42.14 0.3 1 1094 95 LYS HE2 H 3.01 0.02 1 1095 95 LYS HE3 H 3.01 0.02 1 1096 95 LYS C C 175.85 0.3 1 1097 96 LYS N N 126.74 0.2 1 1098 96 LYS H H 8.91 0.02 1 1099 96 LYS CA C 54.74 0.3 1 1100 96 LYS HA H 4.55 0.02 1 1101 96 LYS CB C 36.24 0.3 1 1102 96 LYS HB2 H 0.16 0.02 2 1103 96 LYS HB3 H 1.36 0.02 2 1104 96 LYS CG C 24.94 0.3 1 1105 96 LYS HG2 H 1.13 0.02 1 1106 96 LYS HG3 H 1.13 0.02 1 1107 96 LYS CD C 28.94 0.3 1 1108 96 LYS HD2 H 1.65 0.02 1 1109 96 LYS HD3 H 1.65 0.02 1 1110 96 LYS CE C 42.14 0.3 1 1111 96 LYS HE2 H 2.97 0.02 2 1112 96 LYS HE3 H 3.05 0.02 2 1113 96 LYS C C 177.15 0.3 1 1114 97 GLU N N 117.44 0.2 1 1115 97 GLU H H 7.62 0.02 1 1116 97 GLU CA C 54.74 0.3 1 1117 97 GLU HA H 5.69 0.02 1 1118 97 GLU CB C 33.24 0.3 1 1119 97 GLU HB2 H 1.78 0.02 2 1120 97 GLU HB3 H 2.02 0.02 2 1121 97 GLU CG C 36.74 0.3 1 1122 97 GLU HG2 H 2.12 0.02 2 1123 97 GLU HG3 H 2.30 0.02 2 1124 97 GLU C C 176.05 0.3 1 1125 98 ASP N N 121.14 0.2 1 1126 98 ASP H H 9.09 0.02 1 1127 98 ASP CA C 54.44 0.3 1 1128 98 ASP HA H 5.21 0.02 1 1129 98 ASP CB C 47.84 0.3 1 1130 98 ASP HB2 H 2.60 0.02 2 1131 98 ASP HB3 H 2.75 0.02 2 1132 98 ASP C C 173.65 0.3 1 1133 99 LEU N N 120.04 0.2 1 1134 99 LEU H H 8.33 0.02 1 1135 99 LEU CA C 54.84 0.3 1 1136 99 LEU HA H 4.95 0.02 1 1137 99 LEU CB C 44.14 0.3 1 1138 99 LEU HB2 H 1.56 0.02 2 1139 99 LEU HB3 H 1.90 0.02 2 1140 99 LEU CG C 27.24 0.3 1 1141 99 LEU HG H 1.77 0.02 1 1142 99 LEU HD1 H 0.84 0.02 1 1143 99 LEU HD2 H 0.84 0.02 1 1144 99 LEU CD1 C 25.24 0.3 1 1145 99 LEU CD2 C 24.34 0.3 1 1146 99 LEU C C 176.45 0.3 1 1147 100 VAL N N 123.14 0.2 1 1148 100 VAL H H 9.35 0.02 1 1149 100 VAL CA C 61.34 0.3 1 1150 100 VAL HA H 4.72 0.02 1 1151 100 VAL CB C 35.04 0.3 1 1152 100 VAL HB H 2.43 0.02 1 1153 100 VAL CG1 C 21.24 0.3 1 1154 100 VAL CG2 C 21.24 0.3 1 1155 100 VAL HG1 H 1.08 0.02 1 1156 100 VAL HG2 H 1.08 0.02 1 1157 100 VAL C C 174.75 0.3 1 1158 101 PHE N N 127.34 0.2 1 1159 101 PHE H H 8.73 0.02 1 1160 101 PHE CA C 56.44 0.3 1 1161 101 PHE HA H 5.76 0.02 1 1162 101 PHE CB C 41.04 0.3 1 1163 101 PHE HB2 H 3.30 0.02 2 1164 101 PHE HB3 H 3.46 0.02 2 1165 101 PHE HD1 H 7.47 0.02 1 1166 101 PHE HD2 H 7.47 0.02 1 1167 101 PHE HE1 H 7.13 0.02 1 1168 101 PHE HE2 H 7.13 0.02 1 1169 101 PHE HZ H 6.74 0.02 1 1170 101 PHE C C 173.35 0.3 1 1171 102 ILE N N 129.94 0.2 1 1172 102 ILE H H 9.17 0.02 1 1173 102 ILE CA C 59.44 0.3 1 1174 102 ILE HA H 5.25 0.02 1 1175 102 ILE CB C 42.44 0.3 1 1176 102 ILE HB H 1.78 0.02 1 1177 102 ILE HG2 H 0.85 0.02 1 1178 102 ILE CG2 C 16.04 0.3 1 1179 102 ILE CG1 C 29.64 0.3 1 1180 102 ILE HG12 H 1.46 0.02 2 1181 102 ILE HG13 H 1.91 0.02 2 1182 102 ILE HD1 H 1.05 0.02 1 1183 102 ILE CD1 C 14.54 0.3 1 1184 102 ILE C C 174.05 0.3 1 1185 103 PHE N N 126.24 0.2 1 1186 103 PHE H H 8.83 0.02 1 1187 103 PHE CA C 53.54 0.3 1 1188 103 PHE HA H 5.65 0.02 1 1189 103 PHE CB C 39.44 0.3 1 1190 103 PHE HB2 H 3.18 0.02 1 1191 103 PHE HB3 H 3.18 0.02 1 1192 103 PHE HD1 H 7.36 0.02 1 1193 103 PHE HD2 H 7.36 0.02 1 1194 103 PHE HE1 H 7.13 0.02 1 1195 103 PHE HE2 H 7.13 0.02 1 1196 103 PHE HZ H 6.91 0.02 1 1197 103 PHE C C 172.55 0.3 1 1198 104 TRP N N 131.34 0.2 1 1199 104 TRP H H 8.91 0.02 1 1200 104 TRP CA C 55.34 0.3 1 1201 104 TRP HA H 4.76 0.02 1 1202 104 TRP CB C 30.94 0.3 1 1203 104 TRP HB2 H 2.65 0.02 2 1204 104 TRP HB3 H 3.07 0.02 2 1205 104 TRP NE1 N 133.70 0.2 1 1206 104 TRP HD1 H 6.92 0.02 1 1207 104 TRP HE3 H 6.94 0.02 1 1208 104 TRP HE1 H 11.07 0.02 1 1209 104 TRP HZ3 H 6.43 0.02 1 1210 104 TRP HZ2 H 7.13 0.02 1 1211 104 TRP HH2 H 6.66 0.02 1 1212 104 TRP C C 171.75 0.3 1 1213 105 ALA N N 129.34 0.2 1 1214 105 ALA H H 7.63 0.02 1 1215 105 ALA CA C 48.54 0.3 1 1216 105 ALA HA H 4.55 0.02 1 1217 105 ALA HB H 0.26 0.02 1 1218 105 ALA CB C 18.24 0.3 1 1219 106 PRO CD C 48.44 0.3 1 1220 106 PRO CA C 61.94 0.3 1 1221 106 PRO HA H 3.58 0.02 1 1222 106 PRO CB C 31.54 0.3 1 1223 106 PRO HB2 H 0.93 0.02 2 1224 106 PRO HB3 H 1.75 0.02 2 1225 106 PRO CG C 27.44 0.3 1 1226 106 PRO HG2 H 1.27 0.02 2 1227 106 PRO HG3 H 1.54 0.02 2 1228 106 PRO HD2 H 0.84 0.02 2 1229 106 PRO HD3 H 2.71 0.02 2 1230 106 PRO C C 177.85 0.3 1 1231 107 GLU N N 120.64 0.2 1 1232 107 GLU H H 7.90 0.02 1 1233 107 GLU CA C 58.84 0.3 1 1234 107 GLU HA H 3.86 0.02 1 1235 107 GLU CB C 29.74 0.3 1 1236 107 GLU HB2 H 2.07 0.02 1 1237 107 GLU HB3 H 2.07 0.02 1 1238 107 GLU CG C 35.94 0.3 1 1239 107 GLU HG2 H 2.36 0.02 1 1240 107 GLU HG3 H 2.36 0.02 1 1241 107 GLU C C 177.25 0.3 1 1242 108 SER N N 108.74 0.2 1 1243 108 SER H H 7.72 0.02 1 1244 108 SER CA C 58.14 0.3 1 1245 108 SER HA H 4.30 0.02 1 1246 108 SER CB C 63.14 0.3 1 1247 108 SER HB2 H 3.85 0.02 2 1248 108 SER HB3 H 4.10 0.02 2 1249 108 SER C C 174.65 0.3 1 1250 109 ALA N N 125.34 0.2 1 1251 109 ALA H H 7.37 0.02 1 1252 109 ALA CA C 50.44 0.3 1 1253 109 ALA HA H 4.43 0.02 1 1254 109 ALA HB H 1.11 0.02 1 1255 109 ALA CB C 18.24 0.3 1 1256 110 PRO CD C 50.94 0.3 1 1257 110 PRO CA C 62.74 0.3 1 1258 110 PRO HA H 4.51 0.02 1 1259 110 PRO CB C 32.44 0.3 1 1260 110 PRO HB2 H 2.02 0.02 2 1261 110 PRO HB3 H 2.60 0.02 2 1262 110 PRO CG C 28.04 0.3 1 1263 110 PRO HG2 H 2.25 0.02 2 1264 110 PRO HG3 H 2.31 0.02 2 1265 110 PRO HD2 H 3.66 0.02 2 1266 110 PRO HD3 H 4.18 0.02 2 1267 110 PRO C C 177.85 0.3 1 1268 111 LEU N N 127.14 0.2 1 1269 111 LEU H H 8.79 0.02 1 1270 111 LEU CA C 58.84 0.3 1 1271 111 LEU HA H 4.02 0.02 1 1272 111 LEU CB C 41.64 0.3 1 1273 111 LEU HB2 H 1.80 0.02 1 1274 111 LEU HB3 H 1.80 0.02 1 1275 111 LEU CG C 27.14 0.3 1 1276 111 LEU HG H 1.74 0.02 1 1277 111 LEU CD1 C 24.84 0.3 1 1278 111 LEU CD2 C 23.64 0.3 1 1279 111 LEU HD1 H 1.01 0.02 1 1280 111 LEU HD2 H 1.01 0.02 1 1281 111 LEU C C 178.65 0.3 1 1282 112 LYS N N 115.84 0.2 1 1283 112 LYS H H 8.86 0.02 1 1284 112 LYS CA C 59.74 0.3 1 1285 112 LYS HA H 4.16 0.02 1 1286 112 LYS CB C 32.34 0.3 1 1287 112 LYS HB2 H 1.95 0.02 1 1288 112 LYS HB3 H 1.95 0.02 1 1289 112 LYS CG C 25.24 0.3 1 1290 112 LYS HG2 H 1.54 0.02 1 1291 112 LYS HG3 H 1.54 0.02 1 1292 112 LYS CD C 29.64 0.3 1 1293 112 LYS HD2 H 1.78 0.02 1 1294 112 LYS HD3 H 1.78 0.02 1 1295 112 LYS CE C 42.14 0.3 1 1296 112 LYS HE2 H 3.12 0.02 1 1297 112 LYS HE3 H 3.12 0.02 1 1298 112 LYS C C 179.15 0.3 1 1299 113 SER N N 112.84 0.2 1 1300 113 SER H H 7.09 0.02 1 1301 113 SER CA C 61.34 0.3 1 1302 113 SER HA H 4.58 0.02 1 1303 113 SER CB C 63.24 0.3 1 1304 113 SER HB2 H 4.23 0.02 1 1305 113 SER HB3 H 4.23 0.02 1 1306 113 SER C C 176.05 0.3 1 1307 114 LYS N N 121.54 0.2 1 1308 114 LYS H H 8.16 0.02 1 1309 114 LYS CA C 60.94 0.3 1 1310 114 LYS HA H 4.28 0.02 1 1311 114 LYS CB C 32.24 0.3 1 1312 114 LYS HB2 H 1.89 0.02 1 1313 114 LYS HB3 H 1.89 0.02 1 1314 114 LYS CG C 26.34 0.3 1 1315 114 LYS HG2 H 1.11 0.02 2 1316 114 LYS HG3 H 1.34 0.02 2 1317 114 LYS CD C 29.34 0.3 1 1318 114 LYS HD2 H 1.51 0.02 2 1319 114 LYS HD3 H 1.63 0.02 2 1320 114 LYS CE C 42.14 0.3 1 1321 114 LYS HE2 H 2.77 0.02 2 1322 114 LYS HE3 H 2.91 0.02 2 1323 114 LYS C C 179.15 0.3 1 1324 115 MET N N 115.94 0.2 1 1325 115 MET H H 8.56 0.02 1 1326 115 MET CA C 58.84 0.3 1 1327 115 MET HA H 4.35 0.02 1 1328 115 MET CB C 32.84 0.3 1 1329 115 MET HB2 H 2.26 0.02 1 1330 115 MET HB3 H 2.26 0.02 1 1331 115 MET CG C 32.24 0.3 1 1332 115 MET HG2 H 2.69 0.02 2 1333 115 MET HG3 H 2.86 0.02 2 1334 115 MET HE H 1.76 0.02 1 1335 115 MET CE C 18.04 0.3 1 1336 115 MET C C 179.35 0.3 1 1337 116 ILE N N 121.04 0.2 1 1338 116 ILE H H 7.99 0.02 1 1339 116 ILE CA C 64.74 0.3 1 1340 116 ILE HA H 4.11 0.02 1 1341 116 ILE CB C 38.34 0.3 1 1342 116 ILE HB H 2.00 0.02 1 1343 116 ILE HG2 H 1.00 0.02 1 1344 116 ILE CG2 C 18.24 0.3 1 1345 116 ILE CG1 C 29.14 0.3 1 1346 116 ILE HG12 H 1.21 0.02 2 1347 116 ILE HG13 H 1.82 0.02 2 1348 116 ILE HD1 H 0.96 0.02 1 1349 116 ILE CD1 C 13.94 0.3 1 1350 116 ILE C C 179.35 0.3 1 1351 117 TYR N N 121.04 0.2 1 1352 117 TYR H H 8.98 0.02 1 1353 117 TYR CA C 62.24 0.3 1 1354 117 TYR HA H 4.28 0.02 1 1355 117 TYR CB C 37.84 0.3 1 1356 117 TYR HB2 H 2.83 0.02 2 1357 117 TYR HB3 H 3.29 0.02 2 1358 117 TYR HD1 H 6.89 0.02 1 1359 117 TYR HD2 H 6.89 0.02 1 1360 117 TYR HE1 H 7.13 0.02 1 1361 117 TYR HE2 H 7.13 0.02 1 1362 117 TYR C C 180.95 0.3 1 1363 118 ALA N N 123.64 0.2 1 1364 118 ALA H H 9.03 0.02 1 1365 118 ALA CA C 56.04 0.3 1 1366 118 ALA HA H 4.20 0.02 1 1367 118 ALA HB H 1.81 0.02 1 1368 118 ALA CB C 18.24 0.3 1 1369 118 ALA C C 180.55 0.3 1 1370 119 SER N N 113.84 0.2 1 1371 119 SER H H 8.25 0.02 1 1372 119 SER CA C 61.34 0.3 1 1373 119 SER HA H 4.45 0.02 1 1374 119 SER CB C 63.24 0.3 1 1375 119 SER HB2 H 4.11 0.02 2 1376 119 SER HB3 H 4.16 0.02 2 1377 119 SER C C 176.05 0.3 1 1378 120 SER N N 114.94 0.2 1 1379 120 SER H H 7.49 0.02 1 1380 120 SER CA C 59.34 0.3 1 1381 120 SER HA H 4.67 0.02 1 1382 120 SER CB C 63.54 0.3 1 1383 120 SER HB2 H 3.85 0.02 2 1384 120 SER HB3 H 4.00 0.02 2 1385 120 SER C C 172.75 0.3 1 1386 121 LYS N N 122.04 0.2 1 1387 121 LYS H H 7.04 0.02 1 1388 121 LYS CA C 59.54 0.3 1 1389 121 LYS HA H 3.57 0.02 1 1390 121 LYS CB C 31.24 0.3 1 1391 121 LYS HB2 H 1.84 0.02 1 1392 121 LYS HB3 H 1.84 0.02 1 1393 121 LYS CG C 23.74 0.3 1 1394 121 LYS HG2 H 1.46 0.02 1 1395 121 LYS HG3 H 1.46 0.02 1 1396 121 LYS HD2 H 1.65 0.02 1 1397 121 LYS HD3 H 1.65 0.02 1 1398 121 LYS CE C 41.24 0.3 1 1399 121 LYS HE2 H 3.08 0.02 1 1400 121 LYS HE3 H 3.08 0.02 1 1401 121 LYS C C 177.15 0.3 1 1402 122 ASP N N 117.44 0.2 1 1403 122 ASP H H 8.47 0.02 1 1404 122 ASP CA C 57.24 0.3 1 1405 122 ASP HA H 4.28 0.02 1 1406 122 ASP CB C 40.34 0.3 1 1407 122 ASP HB2 H 2.52 0.02 2 1408 122 ASP HB3 H 2.62 0.02 2 1409 122 ASP C C 177.55 0.3 1 1410 123 ALA N N 121.54 0.2 1 1411 123 ALA H H 7.59 0.02 1 1412 123 ALA CA C 54.84 0.3 1 1413 123 ALA HA H 3.92 0.02 1 1414 123 ALA HB H 1.33 0.02 1 1415 123 ALA CB C 17.84 0.3 1 1416 123 ALA C C 179.65 0.3 1 1417 124 ILE N N 114.34 0.2 1 1418 124 ILE H H 6.95 0.02 1 1419 124 ILE CA C 63.04 0.3 1 1420 124 ILE HA H 3.48 0.02 1 1421 124 ILE CB C 37.34 0.3 1 1422 124 ILE HB H 1.08 0.02 1 1423 124 ILE HG2 H 0.10 0.02 1 1424 124 ILE CG2 C 15.14 0.3 1 1425 124 ILE CG1 C 28.84 0.3 1 1426 124 ILE HG12 H -0.10 0.02 2 1427 124 ILE HG13 H 0.45 0.02 2 1428 124 ILE HD1 H 0.24 0.02 1 1429 124 ILE CD1 C 14.04 0.3 1 1430 124 ILE C C 175.15 0.3 1 1431 125 LYS N N 122.04 0.2 1 1432 125 LYS H H 7.73 0.02 1 1433 125 LYS CA C 59.44 0.3 1 1434 125 LYS HA H 3.00 0.02 1 1435 125 LYS CB C 31.84 0.3 1 1436 125 LYS HB2 H 1.38 0.02 2 1437 125 LYS HB3 H 1.65 0.02 2 1438 125 LYS CG C 24.94 0.3 1 1439 125 LYS HG2 H 1.08 0.02 1 1440 125 LYS HG3 H 1.08 0.02 1 1441 125 LYS CD C 28.74 0.3 1 1442 125 LYS HD2 H 1.43 0.02 2 1443 125 LYS HD3 H 1.57 0.02 2 1444 125 LYS CE C 41.74 0.3 1 1445 125 LYS HE2 H 2.80 0.02 2 1446 125 LYS HE3 H 2.92 0.02 2 1447 125 LYS C C 179.15 0.3 1 1448 126 LYS N N 115.84 0.2 1 1449 126 LYS H H 7.66 0.02 1 1450 126 LYS CA C 58.44 0.3 1 1451 126 LYS HA H 3.86 0.02 1 1452 126 LYS CB C 32.54 0.3 1 1453 126 LYS HB2 H 1.75 0.02 1 1454 126 LYS HB3 H 1.75 0.02 1 1455 126 LYS CG C 25.94 0.3 1 1456 126 LYS HG2 H 1.45 0.02 1 1457 126 LYS HG3 H 1.45 0.02 1 1458 126 LYS CD C 29.34 0.3 1 1459 126 LYS HD2 H 1.82 0.02 1 1460 126 LYS HD3 H 1.82 0.02 1 1461 126 LYS CE C 42.14 0.3 1 1462 126 LYS HE2 H 3.00 0.02 1 1463 126 LYS HE3 H 3.00 0.02 1 1464 126 LYS C C 178.25 0.3 1 1465 127 LYS N N 115.34 0.2 1 1466 127 LYS H H 6.93 0.02 1 1467 127 LYS CA C 55.24 0.3 1 1468 127 LYS HA H 4.17 0.02 1 1469 127 LYS CB C 31.34 0.3 1 1470 127 LYS HB2 H 1.66 0.02 1 1471 127 LYS HB3 H 1.66 0.02 1 1472 127 LYS CG C 24.44 0.3 1 1473 127 LYS HG2 H 1.20 0.02 1 1474 127 LYS HG3 H 1.20 0.02 1 1475 127 LYS CD C 28.04 0.3 1 1476 127 LYS HD2 H 1.49 0.02 1 1477 127 LYS HD3 H 1.49 0.02 1 1478 127 LYS CE C 42.14 0.3 1 1479 127 LYS HE2 H 3.01 0.02 1 1480 127 LYS HE3 H 3.01 0.02 1 1481 127 LYS C C 176.55 0.3 1 1482 128 PHE N N 123.14 0.2 1 1483 128 PHE H H 7.14 0.02 1 1484 128 PHE CA C 51.34 0.3 1 1485 128 PHE HA H 3.80 0.02 1 1486 128 PHE CB C 34.74 0.3 1 1487 128 PHE HB2 H 2.35 0.02 2 1488 128 PHE HB3 H 2.66 0.02 2 1489 128 PHE HD1 H 6.15 0.02 1 1490 128 PHE HD2 H 6.15 0.02 1 1491 128 PHE HE1 H 6.75 0.02 1 1492 128 PHE HE2 H 6.75 0.02 1 1493 128 PHE HZ H 6.25 0.02 1 1494 128 PHE C C 174.85 0.3 1 1495 129 THR N N 115.34 0.2 1 1496 129 THR H H 7.21 0.02 1 1497 129 THR CA C 63.74 0.3 1 1498 129 THR HA H 3.98 0.02 1 1499 129 THR CB C 69.24 0.3 1 1500 129 THR HB H 4.17 0.02 1 1501 129 THR HG2 H 1.33 0.02 1 1502 129 THR CG2 C 21.84 0.3 1 1503 129 THR C C 175.45 0.3 1 1504 130 GLY N N 113.84 0.2 1 1505 130 GLY H H 8.95 0.02 1 1506 130 GLY CA C 45.14 0.3 1 1507 130 GLY HA2 H 4.40 0.02 2 1508 130 GLY HA3 H 3.80 0.02 2 1509 130 GLY C C 175.35 0.3 1 1510 131 ILE N N 120.84 0.2 1 1511 131 ILE H H 7.87 0.02 1 1512 131 ILE CA C 61.24 0.3 1 1513 131 ILE HA H 4.45 0.02 1 1514 131 ILE CB C 38.44 0.3 1 1515 131 ILE HB H 2.11 0.02 1 1516 131 ILE HG2 H 1.16 0.02 1 1517 131 ILE CG2 C 18.74 0.3 1 1518 131 ILE CG1 C 28.94 0.3 1 1519 131 ILE HG12 H 1.58 0.02 2 1520 131 ILE HG13 H 1.76 0.02 2 1521 131 ILE HD1 H 1.13 0.02 1 1522 131 ILE CD1 C 15.24 0.3 1 1523 131 ILE C C 176.15 0.3 1 1524 132 LYS N N 126.74 0.2 1 1525 132 LYS H H 9.39 0.02 1 1526 132 LYS CA C 57.24 0.3 1 1527 132 LYS HA H 4.36 0.02 1 1528 132 LYS CB C 34.14 0.3 1 1529 132 LYS HB2 H 1.56 0.02 1 1530 132 LYS HB3 H 1.56 0.02 1 1531 132 LYS CG C 25.24 0.3 1 1532 132 LYS HG2 H 1.29 0.02 2 1533 132 LYS HG3 H 1.45 0.02 2 1534 132 LYS CD C 29.14 0.3 1 1535 132 LYS HD2 H 1.72 0.02 1 1536 132 LYS HD3 H 1.72 0.02 1 1537 132 LYS CE C 42.14 0.3 1 1538 132 LYS HE2 H 3.07 0.02 1 1539 132 LYS HE3 H 3.07 0.02 1 1540 132 LYS C C 175.85 0.3 1 1541 133 HIS N N 116.44 0.2 1 1542 133 HIS H H 7.13 0.02 1 1543 133 HIS CA C 55.34 0.3 1 1544 133 HIS HA H 5.11 0.02 1 1545 133 HIS CB C 34.64 0.3 1 1546 133 HIS HB2 H 3.33 0.02 2 1547 133 HIS HB3 H 2.82 0.02 2 1548 133 HIS HD2 H 6.96 0.02 1 1549 133 HIS HE1 H 7.79 0.02 1 1550 133 HIS C C 173.35 0.3 1 1551 134 GLU N N 123.64 0.2 1 1552 134 GLU H H 8.94 0.02 1 1553 134 GLU CA C 54.24 0.3 1 1554 134 GLU HA H 5.92 0.02 1 1555 134 GLU CB C 33.24 0.3 1 1556 134 GLU HB2 H 2.21 0.02 1 1557 134 GLU HB3 H 2.21 0.02 1 1558 134 GLU CG C 36.34 0.3 1 1559 134 GLU HG2 H 2.40 0.02 1 1560 134 GLU HG3 H 2.40 0.02 1 1561 134 GLU C C 174.75 0.3 1 1562 135 TRP N N 127.74 0.2 1 1563 135 TRP H H 9.42 0.02 1 1564 135 TRP CA C 53.64 0.3 1 1565 135 TRP HA H 5.48 0.02 1 1566 135 TRP CB C 33.54 0.3 1 1567 135 TRP HB2 H 2.69 0.02 2 1568 135 TRP HB3 H 3.58 0.02 2 1569 135 TRP NE1 N 128.30 0.2 1 1570 135 TRP HD1 H 7.28 0.02 1 1571 135 TRP HE3 H 7.19 0.02 1 1572 135 TRP HE1 H 10.20 0.02 1 1573 135 TRP HZ3 H 6.53 0.02 1 1574 135 TRP HZ2 H 7.51 0.02 1 1575 135 TRP HH2 H 7.13 0.02 1 1576 135 TRP C C 173.75 0.3 1 1577 136 GLN N N 129.74 0.2 1 1578 136 GLN H H 9.29 0.02 1 1579 136 GLN CA C 55.34 0.3 1 1580 136 GLN HA H 5.28 0.02 1 1581 136 GLN CB C 28.94 0.3 1 1582 136 GLN HB2 H 2.18 0.02 2 1583 136 GLN HB3 H 2.34 0.02 2 1584 136 GLN CG C 34.04 0.3 1 1585 136 GLN HG2 H 2.16 0.02 1 1586 136 GLN HG3 H 2.16 0.02 1 1587 136 GLN CD C 179.44 0.3 1 1588 136 GLN NE2 N 111.30 0.2 1 1589 136 GLN HE21 H 6.82 0.02 2 1590 136 GLN HE22 H 7.67 0.02 2 1591 136 GLN C C 173.45 0.3 1 1592 137 VAL N N 125.34 0.2 1 1593 137 VAL H H 8.53 0.02 1 1594 137 VAL CA C 60.44 0.3 1 1595 137 VAL HA H 4.15 0.02 1 1596 137 VAL CB C 34.54 0.3 1 1597 137 VAL HB H 1.68 0.02 1 1598 137 VAL HG1 H 0.52 0.02 2 1599 137 VAL HG2 H 0.03 0.02 2 1600 137 VAL CG1 C 23.14 0.3 1 1601 137 VAL CG2 C 19.74 0.3 1 1602 137 VAL C C 174.45 0.3 1 1603 138 ASN N N 123.14 0.2 1 1604 138 ASN H H 9.01 0.02 1 1605 138 ASN CA C 53.04 0.3 1 1606 138 ASN HA H 4.68 0.02 1 1607 138 ASN CB C 39.54 0.3 1 1608 138 ASN HB2 H 2.65 0.02 2 1609 138 ASN HB3 H 2.90 0.02 2 1610 138 ASN CG C 177.34 0.3 1 1611 138 ASN ND2 N 112.30 0.2 1 1612 138 ASN HD21 H 6.82 0.02 2 1613 138 ASN HD22 H 7.61 0.02 2 1614 138 ASN C C 174.65 0.3 1 1615 139 GLY N N 104.54 0.2 1 1616 139 GLY H H 6.93 0.02 1 1617 139 GLY CA C 45.14 0.3 1 1618 139 GLY HA2 H 4.34 0.02 2 1619 139 GLY HA3 H 3.55 0.02 2 1620 139 GLY C C 173.45 0.3 1 1621 140 LEU N N 122.54 0.2 1 1622 140 LEU H H 9.06 0.02 1 1623 140 LEU CA C 57.54 0.3 1 1624 140 LEU HA H 4.27 0.02 1 1625 140 LEU CB C 42.84 0.3 1 1626 140 LEU HB2 H 1.75 0.02 1 1627 140 LEU HB3 H 1.75 0.02 1 1628 140 LEU CG C 27.24 0.3 1 1629 140 LEU HG H 1.75 0.02 1 1630 140 LEU CD1 C 24.24 0.3 1 1631 140 LEU CD2 C 24.34 0.3 1 1632 140 LEU HD1 H 0.91 0.02 1 1633 140 LEU HD2 H 0.91 0.02 1 1634 140 LEU C C 178.55 0.3 1 1635 141 ASP N N 117.44 0.2 1 1636 141 ASP H H 8.75 0.02 1 1637 141 ASP CA C 57.54 0.3 1 1638 141 ASP HA H 4.41 0.02 1 1639 141 ASP CB C 40.04 0.3 1 1640 141 ASP HB2 H 2.67 0.02 2 1641 141 ASP HB3 H 2.77 0.02 2 1642 141 ASP C C 177.85 0.3 1 1643 142 ASP N N 117.44 0.2 1 1644 142 ASP H H 7.53 0.02 1 1645 142 ASP CA C 56.24 0.3 1 1646 142 ASP HA H 4.74 0.02 1 1647 142 ASP CB C 41.94 0.3 1 1648 142 ASP HB2 H 2.90 0.02 1 1649 142 ASP HB3 H 2.90 0.02 1 1650 142 ASP C C 176.75 0.3 1 1651 143 ILE N N 114.84 0.2 1 1652 143 ILE H H 7.40 0.02 1 1653 143 ILE CA C 61.34 0.3 1 1654 143 ILE HA H 4.91 0.02 1 1655 143 ILE CB C 41.04 0.3 1 1656 143 ILE HB H 1.54 0.02 1 1657 143 ILE HG2 H 0.89 0.02 1 1658 143 ILE CG2 C 16.74 0.3 1 1659 143 ILE CG1 C 28.94 0.3 1 1660 143 ILE HG12 H 1.17 0.02 2 1661 143 ILE HG13 H 1.59 0.02 2 1662 143 ILE HD1 H 0.43 0.02 1 1663 143 ILE CD1 C 14.34 0.3 1 1664 143 ILE C C 175.85 0.3 1 1665 144 LYS N N 120.64 0.2 1 1666 144 LYS H H 7.94 0.02 1 1667 144 LYS CA C 59.44 0.3 1 1668 144 LYS HA H 4.16 0.02 1 1669 144 LYS CB C 32.64 0.3 1 1670 144 LYS HB2 H 1.99 0.02 1 1671 144 LYS HB3 H 1.99 0.02 1 1672 144 LYS CG C 25.14 0.3 1 1673 144 LYS HG2 H 1.64 0.02 1 1674 144 LYS HG3 H 1.64 0.02 1 1675 144 LYS CD C 29.74 0.3 1 1676 144 LYS HD2 H 1.79 0.02 1 1677 144 LYS HD3 H 1.79 0.02 1 1678 144 LYS CE C 42.04 0.3 1 1679 144 LYS HE2 H 3.12 0.02 1 1680 144 LYS HE3 H 3.12 0.02 1 1681 144 LYS C C 176.05 0.3 1 1682 145 ASP N N 118.14 0.2 1 1683 145 ASP H H 7.77 0.02 1 1684 145 ASP CA C 53.14 0.3 1 1685 145 ASP HA H 4.95 0.02 1 1686 145 ASP CB C 41.54 0.3 1 1687 145 ASP HB2 H 3.19 0.02 2 1688 145 ASP HB3 H 2.71 0.02 2 1689 145 ASP C C 176.35 0.3 1 1690 146 ARG N N 126.24 0.2 1 1691 146 ARG H H 8.64 0.02 1 1692 146 ARG CA C 58.54 0.3 1 1693 146 ARG HA H 3.80 0.02 1 1694 146 ARG CB C 30.04 0.3 1 1695 146 ARG HB2 H 1.62 0.02 1 1696 146 ARG HB3 H 1.62 0.02 1 1697 146 ARG CG C 27.74 0.3 1 1698 146 ARG HG2 H 1.43 0.02 2 1699 146 ARG HG3 H 1.62 0.02 2 1700 146 ARG CD C 43.44 0.3 1 1701 146 ARG HD2 H 3.14 0.02 2 1702 146 ARG HD3 H 3.32 0.02 2 1703 146 ARG C C 176.55 0.3 1 1704 147 SER N N 114.34 0.2 1 1705 147 SER H H 8.54 0.02 1 1706 147 SER CA C 61.54 0.3 1 1707 147 SER HA H 3.99 0.02 1 1708 147 SER CB C 62.14 0.3 1 1709 147 SER HB2 H 4.00 0.02 1 1710 147 SER HB3 H 4.00 0.02 1 1711 147 SER C C 176.75 0.3 1 1712 148 THR N N 120.14 0.2 1 1713 148 THR H H 7.92 0.02 1 1714 148 THR CA C 65.84 0.3 1 1715 148 THR HA H 4.04 0.02 1 1716 148 THR CB C 68.14 0.3 1 1717 148 THR HB H 4.47 0.02 1 1718 148 THR HG2 H 1.35 0.02 1 1719 148 THR CG2 C 23.34 0.3 1 1720 148 THR C C 176.55 0.3 1 1721 149 LEU N N 123.64 0.2 1 1722 149 LEU H H 7.07 0.02 1 1723 149 LEU CA C 57.04 0.3 1 1724 149 LEU HA H 3.42 0.02 1 1725 149 LEU CB C 39.44 0.3 1 1726 149 LEU HB2 H 1.43 0.02 2 1727 149 LEU HB3 H 1.49 0.02 2 1728 149 LEU CG C 26.84 0.3 1 1729 149 LEU HG H 1.25 0.02 1 1730 149 LEU HD1 H 0.87 0.02 2 1731 149 LEU HD2 H 0.68 0.02 2 1732 149 LEU CD1 C 26.54 0.3 1 1733 149 LEU CD2 C 22.54 0.3 1 1734 149 LEU C C 178.15 0.3 1 1735 150 GLY N N 104.54 0.2 1 1736 150 GLY H H 8.09 0.02 1 1737 150 GLY CA C 47.94 0.3 1 1738 150 GLY HA2 H 3.55 0.02 2 1739 150 GLY HA3 H 3.25 0.02 2 1740 151 GLU N N 120.04 0.2 1 1741 151 GLU H H 7.91 0.02 1 1742 151 GLU CA C 59.34 0.3 1 1743 151 GLU HA H 3.97 0.02 1 1744 151 GLU CB C 29.14 0.3 1 1745 151 GLU HB2 H 2.07 0.02 1 1746 151 GLU HB3 H 2.07 0.02 1 1747 151 GLU CG C 36.24 0.3 1 1748 151 GLU HG2 H 2.32 0.02 1 1749 151 GLU HG3 H 2.32 0.02 1 1750 151 GLU C C 179.55 0.3 1 1751 152 LYS N N 120.54 0.2 1 1752 152 LYS H H 7.40 0.02 1 1753 152 LYS CA C 57.84 0.3 1 1754 152 LYS HA H 3.98 0.02 1 1755 152 LYS CB C 30.94 0.3 1 1756 152 LYS HB2 H 1.57 0.02 1 1757 152 LYS HB3 H 1.57 0.02 1 1758 152 LYS CG C 23.74 0.3 1 1759 152 LYS HG2 H 0.97 0.02 2 1760 152 LYS HG3 H 1.08 0.02 2 1761 152 LYS CD C 27.74 0.3 1 1762 152 LYS HD2 H 1.29 0.02 2 1763 152 LYS HD3 H 1.39 0.02 2 1764 152 LYS CE C 41.24 0.3 1 1765 152 LYS HE2 H 2.66 0.02 2 1766 152 LYS HE3 H 2.71 0.02 2 1767 152 LYS C C 177.75 0.3 1 1768 153 LEU N N 116.04 0.2 1 1769 153 LEU H H 7.51 0.02 1 1770 153 LEU CA C 55.74 0.3 1 1771 153 LEU HA H 3.72 0.02 1 1772 153 LEU CB C 41.64 0.3 1 1773 153 LEU HB2 H 0.57 0.02 2 1774 153 LEU HB3 H 1.15 0.02 2 1775 153 LEU CG C 25.54 0.3 1 1776 153 LEU HG H 1.24 0.02 1 1777 153 LEU CD1 C 20.34 0.3 1 1778 153 LEU CD2 C 25.24 0.3 1 1779 153 LEU HD1 H -0.02 0.02 1 1780 153 LEU HD2 H -0.02 0.02 1 1781 153 LEU C C 177.15 0.3 1 1782 154 GLY N N 103.14 0.2 1 1783 154 GLY H H 7.51 0.02 1 1784 154 GLY CA C 46.14 0.3 1 1785 154 GLY HA2 H 4.19 0.02 2 1786 154 GLY HA3 H 3.83 0.02 2 1787 154 GLY C C 174.15 0.3 1 1788 155 GLY N N 112.84 0.2 1 1789 155 GLY H H 8.71 0.02 1 1790 155 GLY CA C 46.54 0.3 1 1791 155 GLY HA2 H 4.21 0.02 2 1792 155 GLY HA3 H 3.84 0.02 2 1793 155 GLY C C 174.95 0.3 1 1794 156 ASN N N 122.14 0.2 1 1795 156 ASN H H 8.81 0.02 1 1796 156 ASN CA C 54.54 0.3 1 1797 156 ASN HA H 4.63 0.02 1 1798 156 ASN CB C 37.94 0.3 1 1799 156 ASN HB2 H 2.91 0.02 2 1800 156 ASN HB3 H 3.06 0.02 2 1801 156 ASN CG C 176.94 0.3 1 1802 156 ASN ND2 N 111.20 0.2 1 1803 156 ASN HD21 H 6.90 0.02 2 1804 156 ASN HD22 H 7.65 0.02 2 1805 156 ASN C C 175.85 0.3 1 1806 157 VAL N N 110.74 0.2 1 1807 157 VAL H H 7.20 0.02 1 1808 157 VAL CA C 61.54 0.3 1 1809 157 VAL HA H 4.36 0.02 1 1810 157 VAL CB C 32.14 0.3 1 1811 157 VAL HB H 2.53 0.02 1 1812 157 VAL CG1 C 19.04 0.3 1 1813 157 VAL CG2 C 21.44 0.3 1 1814 157 VAL HG1 H 1.08 0.02 1 1815 157 VAL HG2 H 1.08 0.02 1 1816 157 VAL C C 175.55 0.3 1 1817 158 VAL N N 123.04 0.2 1 1818 158 VAL H H 7.59 0.02 1 1819 158 VAL CA C 63.74 0.3 1 1820 158 VAL HA H 4.10 0.02 1 1821 158 VAL CB C 31.64 0.3 1 1822 158 VAL HB H 2.06 0.02 1 1823 158 VAL HG1 H 0.96 0.02 2 1824 158 VAL HG2 H 0.91 0.02 2 1825 158 VAL CG1 C 22.54 0.3 1 1826 158 VAL CG2 C 22.44 0.3 1 1827 158 VAL C C 175.15 0.3 1 1828 159 VAL N N 122.24 0.2 1 1829 159 VAL H H 8.99 0.02 1 1830 159 VAL CA C 62.34 0.3 1 1831 159 VAL HA H 4.41 0.02 1 1832 159 VAL CB C 33.54 0.3 1 1833 159 VAL HB H 2.07 0.02 1 1834 159 VAL HG1 H 0.93 0.02 2 1835 159 VAL HG2 H 0.77 0.02 2 1836 159 VAL CG1 C 21.44 0.3 1 1837 159 VAL CG2 C 19.64 0.3 1 1838 159 VAL C C 176.55 0.3 1 1839 160 SER N N 115.34 0.2 1 1840 160 SER H H 7.91 0.02 1 1841 160 SER CA C 57.24 0.3 1 1842 160 SER HA H 4.84 0.02 1 1843 160 SER CB C 65.04 0.3 1 1844 160 SER HB2 H 3.44 0.02 2 1845 160 SER HB3 H 3.68 0.02 2 1846 160 SER C C 171.05 0.3 1 1847 161 LEU N N 121.54 0.2 1 1848 161 LEU H H 8.46 0.02 1 1849 161 LEU CA C 55.04 0.3 1 1850 161 LEU HA H 4.94 0.02 1 1851 161 LEU CB C 45.94 0.3 1 1852 161 LEU HB2 H 1.25 0.02 2 1853 161 LEU HB3 H 1.70 0.02 2 1854 161 LEU CG C 28.04 0.3 1 1855 161 LEU HG H 1.64 0.02 1 1856 161 LEU HD1 H 0.70 0.02 2 1857 161 LEU HD2 H 0.96 0.02 2 1858 161 LEU CD1 C 26.54 0.3 1 1859 161 LEU CD2 C 24.04 0.3 1 1860 161 LEU C C 176.15 0.3 1 1861 162 GLU N N 126.74 0.2 1 1862 162 GLU H H 9.97 0.02 1 1863 162 GLU CA C 56.04 0.3 1 1864 162 GLU HA H 4.20 0.02 1 1865 162 GLU CB C 26.24 0.3 1 1866 162 GLU HB2 H 2.17 0.02 2 1867 162 GLU HB3 H 2.37 0.02 2 1868 162 GLU CG C 34.94 0.3 1 1869 162 GLU HG2 H 2.62 0.02 1 1870 162 GLU HG3 H 2.62 0.02 1 1871 162 GLU C C 176.75 0.3 1 1872 163 GLY N N 106.14 0.2 1 1873 163 GLY H H 9.61 0.02 1 1874 163 GLY CA C 45.24 0.3 1 1875 163 GLY HA2 H 4.22 0.02 2 1876 163 GLY HA3 H 3.64 0.02 2 1877 163 GLY C C 173.95 0.3 1 1878 164 LYS N N 121.54 0.2 1 1879 164 LYS H H 7.65 0.02 1 1880 164 LYS CA C 52.54 0.3 1 1881 164 LYS HA H 5.03 0.02 1 1882 164 LYS CB C 33.74 0.3 1 1883 164 LYS HB2 H 1.79 0.02 2 1884 164 LYS HB3 H 1.93 0.02 2 1885 164 LYS CG C 24.74 0.3 1 1886 164 LYS HG2 H 1.52 0.02 2 1887 164 LYS HG3 H 1.59 0.02 2 1888 164 LYS CD C 28.74 0.3 1 1889 164 LYS HD2 H 1.79 0.02 1 1890 164 LYS HD3 H 1.79 0.02 1 1891 164 LYS CE C 42.14 0.3 1 1892 164 LYS HE2 H 3.15 0.02 1 1893 164 LYS HE3 H 3.15 0.02 1 1894 165 PRO CD C 51.24 0.3 1 1895 165 PRO CA C 63.04 0.3 1 1896 165 PRO HA H 4.56 0.02 1 1897 165 PRO CB C 32.14 0.3 1 1898 165 PRO HB2 H 2.03 0.02 2 1899 165 PRO HB3 H 2.46 0.02 2 1900 165 PRO CG C 27.44 0.3 1 1901 165 PRO HG2 H 2.06 0.02 2 1902 165 PRO HG3 H 2.17 0.02 2 1903 165 PRO HD2 H 3.75 0.02 2 1904 165 PRO HD3 H 4.00 0.02 2 1905 165 PRO C C 176.15 0.3 1 1906 166 LEU N N 128.84 0.2 1 1907 166 LEU H H 7.67 0.02 1 1908 166 LEU CA C 56.54 0.3 1 1909 166 LEU HA H 4.15 0.02 1 1910 166 LEU CB C 42.84 0.3 1 1911 166 LEU HB2 H 1.46 0.02 2 1912 166 LEU HB3 H 1.55 0.02 2 1913 166 LEU CG C 27.94 0.3 1 1914 166 LEU HG H 1.47 0.02 1 1915 166 LEU HD1 H 0.75 0.02 1 1916 166 LEU HD2 H 0.75 0.02 1 1917 166 LEU CD1 C 24.44 0.3 1 1918 166 LEU CD2 C 26.24 0.3 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_Reference_1 _Saveframe_category citation _PubMed_ID 1699599 _Citation_full ; Abe H, Endo T, Yamamoto K, Obinata T. Sequence of cDNAs encoding actin depolymerizing factor and cofilin of embryonic chicken skeletal muscle: two functionally distinct actin-regulatory proteins exhibit high structural homology. Biochemistry. 1990 Aug 14;29(32):7420-5. ; save_ save_Reference_2 _Saveframe_category citation _PubMed_ID 8520220 _Citation_full ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; save_ save_Reference_3 _Saveframe_category citation _PubMed_ID . _Citation_full ; Bartels, C., Xia, T.-H., Billeter, M., Guntert, P., and Wuthrich, K. (1995) J. Biomol. NMR 5, 1-10. ; save_