data_25242 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SKELEMIN ASSOCIATION WITH ALFA2B,BETTA3 INTEGRIN: A STRUCTURAL MODEL ; _BMRB_accession_number 25242 _BMRB_flat_file_name bmr25242.str _Entry_type original _Submission_date 2014-09-22 _Accession_date 2014-09-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Over the last two decades, our knowledge concerning intracellular events that regulate integrin's affinity to their soluble ligands has significantly improved. However, the mechanism of adhesion-induced integrin clustering and development of focal complexes, which could further mature to form focal adhesions, still remains under-investigated. Here we present a structural model of tandem IgC2 domains of skelemin in complex with the cytoplasmic tails of integrin alfa2b/betta3. The model of this tertiary assembly is generated based upon NMR data and illuminates a potential link between the essential cell adhesion receptors and myosin filaments. This connection may serve as a basis for generating the mechanical forces necessary for cell migration and remodeling. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gorbatyuk Vitaliy . . 2 Deshmukh Lalit . . 3 Nguyen Khiem . . 4 Vinogradova Olga . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 2391 "13C chemical shifts" 952 "15N chemical shifts" 450 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-22 update BMRB 'update entry citation' 2014-09-29 original author 'original release' stop_ _Original_release_date 2016-09-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Skelemin Association with AlphaIIbBeta3 Integrin: A Structural Model ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25224262 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gorbatyuk Vitaliy . . 2 Nguyen Khiem . . 3 Podolnikova Nataly P. . 4 Deshmukh Lalit . . 5 Lin Xiaochen . . 6 Ugarova Tatiana P. . 7 Vinogradova Olga . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 53 _Journal_issue 43 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6766 _Page_last 6775 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Sk45mNoTag _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Sk45 $Sk45 stop_ _System_molecular_weight 27049.8174 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sk45 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sk45 _Molecular_mass 27049.8174 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 231 _Mol_residue_sequence ; GSHMEEEMKRLLALSQEHKF PTVPTKSELAVEILEKGQVR FWMQAEKLSSNAKVSYIFNE KEIFEGPKYKMHIDRNTGII EMFMEKLQDEDEGTYTFQIQ DGKATGHSTLVLIGDVYKKL QKEAEFQRQEWIRKQGPHFA EYLSWEVTGESNVLLKCKVA NIKKETHIVWYKDEREISVD EKHDFKDGICTLLITEFSKK DAGFYEVILKDDRGKDKSRL KLVDEAFQDLM ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 GLU 6 GLU 7 GLU 8 MET 9 LYS 10 ARG 11 LEU 12 LEU 13 ALA 14 LEU 15 SER 16 GLN 17 GLU 18 HIS 19 LYS 20 PHE 21 PRO 22 THR 23 VAL 24 PRO 25 THR 26 LYS 27 SER 28 GLU 29 LEU 30 ALA 31 VAL 32 GLU 33 ILE 34 LEU 35 GLU 36 LYS 37 GLY 38 GLN 39 VAL 40 ARG 41 PHE 42 TRP 43 MET 44 GLN 45 ALA 46 GLU 47 LYS 48 LEU 49 SER 50 SER 51 ASN 52 ALA 53 LYS 54 VAL 55 SER 56 TYR 57 ILE 58 PHE 59 ASN 60 GLU 61 LYS 62 GLU 63 ILE 64 PHE 65 GLU 66 GLY 67 PRO 68 LYS 69 TYR 70 LYS 71 MET 72 HIS 73 ILE 74 ASP 75 ARG 76 ASN 77 THR 78 GLY 79 ILE 80 ILE 81 GLU 82 MET 83 PHE 84 MET 85 GLU 86 LYS 87 LEU 88 GLN 89 ASP 90 GLU 91 ASP 92 GLU 93 GLY 94 THR 95 TYR 96 THR 97 PHE 98 GLN 99 ILE 100 GLN 101 ASP 102 GLY 103 LYS 104 ALA 105 THR 106 GLY 107 HIS 108 SER 109 THR 110 LEU 111 VAL 112 LEU 113 ILE 114 GLY 115 ASP 116 VAL 117 TYR 118 LYS 119 LYS 120 LEU 121 GLN 122 LYS 123 GLU 124 ALA 125 GLU 126 PHE 127 GLN 128 ARG 129 GLN 130 GLU 131 TRP 132 ILE 133 ARG 134 LYS 135 GLN 136 GLY 137 PRO 138 HIS 139 PHE 140 ALA 141 GLU 142 TYR 143 LEU 144 SER 145 TRP 146 GLU 147 VAL 148 THR 149 GLY 150 GLU 151 SER 152 ASN 153 VAL 154 LEU 155 LEU 156 LYS 157 CYS 158 LYS 159 VAL 160 ALA 161 ASN 162 ILE 163 LYS 164 LYS 165 GLU 166 THR 167 HIS 168 ILE 169 VAL 170 TRP 171 TYR 172 LYS 173 ASP 174 GLU 175 ARG 176 GLU 177 ILE 178 SER 179 VAL 180 ASP 181 GLU 182 LYS 183 HIS 184 ASP 185 PHE 186 LYS 187 ASP 188 GLY 189 ILE 190 CYS 191 THR 192 LEU 193 LEU 194 ILE 195 THR 196 GLU 197 PHE 198 SER 199 LYS 200 LYS 201 ASP 202 ALA 203 GLY 204 PHE 205 TYR 206 GLU 207 VAL 208 ILE 209 LEU 210 LYS 211 ASP 212 ASP 213 ARG 214 GLY 215 LYS 216 ASP 217 LYS 218 SER 219 ARG 220 LEU 221 LYS 222 LEU 223 VAL 224 ASP 225 GLU 226 ALA 227 PHE 228 GLN 229 ASP 230 LEU 231 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP MYOM1_MOUSE Q62234 . . . . . 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 _Gene_mnemonic $Sk45 Mouse 10090 Eukaryota Metazoa Mus musculus muscules myomesin-I stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $Sk45 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) ROSETTA pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_new_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sk45 0.5 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Aria _Saveframe_category software _Name Aria _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Rieping W., Habeck M., Bardiaux B., Bernard A., Malliavin T.E., Nilges M.' . http://aria.pasteur.fr/ stop_ loop_ _Task 'NOE assignment and structure calculation' stop_ _Details 'ARIA2: automated NOE assignment and data integration in NMR structure calculation' save_ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'Spectral analysis' 'chemical shift assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_DANGLE _Saveframe_category software _Name DANGLE _Version 1.1 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'Dihedral angle prediction' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 3.0 loop_ _Vendor _Address _Electronic_address 'F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax' . http://spin.niddk.nih.gov/NMRPipe/ stop_ loop_ _Task 'Spectral processing' stop_ _Details 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes' save_ save_XPLOR-NIH _Saveframe_category software _Name XPLOR-NIH _Version any loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_Xplor-NIH_2 _Saveframe_category software _Name Xplor-NIH _Version 2.33 loop_ _Vendor _Address _Electronic_address 'C.D. Schwieters, J.J. Kuszewski, N. Tjandra and G.M. Clore' . http://nmr.cit.nih.gov/xplor-nih/ stop_ loop_ _Task 'Structure calculation' stop_ _Details 'The Xplor-NIH NMR Molecular Structure Determination Package' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_INOVA _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_new_1 save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_new_1 save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_new_1 save_ ####################### # Sample conditions # ####################### save_KPi _Saveframe_category sample_conditions _Details '20 mM potassium phosphate, pH 6.8, DSS' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.020 . M pH 6.800 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'Origin cns file D:/sk45m/Chemical_shifts/noTag.ppm' loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label HSQC stop_ loop_ _Sample_label $sample_new_1 stop_ _Sample_conditions_label $KPi _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Sk45 _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 4 4 MET HA H 4.332 0.02 1 2 5 5 GLU H H 8.290 0.02 1 3 5 5 GLU HA H 4.085 0.02 1 4 5 5 GLU HB2 H 2.075 0.02 2 5 5 5 GLU HB3 H 2.074 0.02 2 6 5 5 GLU HG2 H 2.317 0.02 1 7 5 5 GLU HG3 H 2.317 0.02 1 8 5 5 GLU N N 121.112 0.3 1 9 6 6 GLU H H 8.370 0.02 1 10 6 6 GLU HA H 4.066 0.02 1 11 6 6 GLU HB2 H 2.073 0.02 2 12 6 6 GLU HB3 H 2.075 0.02 2 13 6 6 GLU HG2 H 2.305 0.02 2 14 6 6 GLU HG3 H 2.325 0.02 2 15 6 6 GLU CA C 58.721 0.3 1 16 6 6 GLU N N 119.980 0.3 1 17 7 7 GLU H H 8.278 0.02 1 18 7 7 GLU HA H 4.201 0.02 1 19 7 7 GLU HB2 H 2.055 0.02 1 20 7 7 GLU HB3 H 2.055 0.02 1 21 7 7 GLU HG2 H 2.247 0.02 1 22 7 7 GLU HG3 H 2.247 0.02 1 23 7 7 GLU CA C 58.517 0.3 1 24 7 7 GLU CB C 29.226 0.3 1 25 7 7 GLU N N 121.146 0.3 1 26 8 8 MET H H 8.078 0.02 1 27 8 8 MET HA H 4.247 0.02 1 28 8 8 MET HB2 H 2.134 0.02 2 29 8 8 MET HB3 H 2.133 0.02 2 30 8 8 MET HG2 H 2.679 0.02 2 31 8 8 MET HG3 H 2.680 0.02 2 32 8 8 MET N N 118.711 0.3 1 33 9 9 LYS H H 7.912 0.02 1 34 9 9 LYS HA H 4.005 0.02 1 35 9 9 LYS HB2 H 1.898 0.02 1 36 9 9 LYS HB3 H 1.898 0.02 1 37 9 9 LYS HG2 H 1.421 0.02 1 38 9 9 LYS HG3 H 1.421 0.02 1 39 9 9 LYS HD2 H 1.593 0.02 1 40 9 9 LYS HD3 H 1.593 0.02 1 41 9 9 LYS HE2 H 2.952 0.02 1 42 9 9 LYS HE3 H 2.952 0.02 1 43 9 9 LYS CA C 59.115 0.3 1 44 9 9 LYS CB C 32.390 0.3 1 45 9 9 LYS N N 119.472 0.3 1 46 10 10 ARG H H 7.911 0.02 1 47 10 10 ARG HA H 4.099 0.02 1 48 10 10 ARG HB2 H 1.900 0.02 2 49 10 10 ARG HB3 H 1.912 0.02 2 50 10 10 ARG HD2 H 3.178 0.02 1 51 10 10 ARG HD3 H 3.178 0.02 1 52 10 10 ARG HH12 H 6.795 0.02 1 53 10 10 ARG CA C 58.791 0.3 1 54 10 10 ARG N N 120.795 0.3 1 55 11 11 LEU H H 8.058 0.02 1 56 11 11 LEU HA H 4.161 0.02 1 57 11 11 LEU HB2 H 1.764 0.02 2 58 11 11 LEU HB3 H 1.824 0.02 2 59 11 11 LEU HG H 1.580 0.02 1 60 11 11 LEU HD1 H 0.867 0.02 2 61 11 11 LEU HD2 H 0.908 0.02 2 62 11 11 LEU CA C 57.281 0.3 1 63 11 11 LEU CB C 41.979 0.3 1 64 11 11 LEU CG C 26.992 0.3 1 65 11 11 LEU CD1 C 23.233 0.3 2 66 11 11 LEU CD2 C 25.125 0.3 2 67 11 11 LEU N N 120.028 0.3 1 68 12 12 LEU H H 8.072 0.02 1 69 12 12 LEU HA H 4.185 0.02 1 70 12 12 LEU HB2 H 1.779 0.02 1 71 12 12 LEU HB3 H 1.779 0.02 1 72 12 12 LEU HD1 H 0.863 0.02 2 73 12 12 LEU HD2 H 0.884 0.02 2 74 12 12 LEU CA C 56.882 0.3 1 75 12 12 LEU CB C 41.901 0.3 1 76 12 12 LEU CG C 26.955 0.3 1 77 12 12 LEU CD1 C 23.660 0.3 2 78 12 12 LEU CD2 C 24.696 0.3 2 79 12 12 LEU N N 120.877 0.3 1 80 13 13 ALA H H 7.781 0.02 1 81 13 13 ALA HA H 4.224 0.02 1 82 13 13 ALA HB H 1.470 0.02 1 83 13 13 ALA CA C 53.806 0.3 1 84 13 13 ALA CB C 18.266 0.3 1 85 13 13 ALA N N 121.973 0.3 1 86 14 14 LEU H H 7.816 0.02 1 87 14 14 LEU HA H 4.260 0.02 1 88 14 14 LEU HB2 H 1.612 0.02 2 89 14 14 LEU HB3 H 1.619 0.02 2 90 14 14 LEU HG H 1.602 0.02 1 91 14 14 LEU HD1 H 0.882 0.02 2 92 14 14 LEU HD2 H 0.920 0.02 2 93 14 14 LEU CA C 56.282 0.3 1 94 14 14 LEU CB C 42.252 0.3 1 95 14 14 LEU CG C 27.031 0.3 1 96 14 14 LEU CD1 C 23.297 0.3 2 97 14 14 LEU CD2 C 25.175 0.3 2 98 14 14 LEU N N 119.047 0.3 1 99 15 15 SER H H 7.980 0.02 1 100 15 15 SER HA H 4.408 0.02 1 101 15 15 SER HB2 H 4.077 0.02 2 102 15 15 SER HB3 H 3.939 0.02 2 103 15 15 SER CA C 59.343 0.3 1 104 15 15 SER CB C 63.366 0.3 1 105 15 15 SER N N 114.754 0.3 1 106 16 16 GLN H H 8.096 0.02 1 107 16 16 GLN HA H 4.301 0.02 1 108 16 16 GLN HB2 H 2.030 0.02 1 109 16 16 GLN HB3 H 2.030 0.02 1 110 16 16 GLN HE21 H 7.486 0.02 1 111 16 16 GLN HE22 H 6.867 0.02 1 112 16 16 GLN CA C 56.212 0.3 1 113 16 16 GLN N N 121.093 0.3 1 114 16 16 GLN NE2 N 112.345 0.3 1 115 17 17 GLU H H 8.109 0.02 1 116 17 17 GLU HA H 4.147 0.02 1 117 17 17 GLU CA C 56.991 0.3 1 118 17 17 GLU N N 120.526 0.3 1 119 18 18 HIS H H 8.179 0.02 1 120 18 18 HIS HD2 H 7.090 0.02 1 121 18 18 HIS N N 119.742 0.3 1 122 19 19 LYS HA H 4.199 0.02 1 123 19 19 LYS HG2 H 1.500 0.02 1 124 19 19 LYS HG3 H 1.500 0.02 1 125 19 19 LYS HD2 H 1.595 0.02 1 126 19 19 LYS HD3 H 1.595 0.02 1 127 19 19 LYS CA C 56.077 0.3 1 128 20 20 PHE H H 8.235 0.02 1 129 20 20 PHE HA H 4.925 0.02 1 130 20 20 PHE HB2 H 2.926 0.02 2 131 20 20 PHE HB3 H 3.278 0.02 2 132 20 20 PHE HD1 H 7.324 0.02 1 133 20 20 PHE HD2 H 7.324 0.02 1 134 20 20 PHE HE1 H 7.361 0.02 1 135 20 20 PHE HE2 H 7.361 0.02 1 136 20 20 PHE CA C 55.335 0.3 1 137 20 20 PHE CB C 38.827 0.3 1 138 20 20 PHE N N 121.256 0.3 1 139 21 21 PRO HA H 4.586 0.02 1 140 21 21 PRO HB2 H 2.368 0.02 2 141 21 21 PRO HB3 H 1.961 0.02 2 142 21 21 PRO HG2 H 1.968 0.02 2 143 21 21 PRO HG3 H 1.963 0.02 2 144 21 21 PRO HD2 H 3.648 0.02 2 145 21 21 PRO HD3 H 3.862 0.02 2 146 21 21 PRO CA C 63.050 0.3 1 147 21 21 PRO CB C 32.127 0.3 1 148 21 21 PRO CG C 27.399 0.3 1 149 21 21 PRO CD C 50.335 0.3 1 150 22 22 THR H H 8.277 0.02 1 151 22 22 THR HA H 5.209 0.02 1 152 22 22 THR HB H 4.173 0.02 1 153 22 22 THR HG2 H 1.254 0.02 1 154 22 22 THR CA C 60.239 0.3 1 155 22 22 THR CB C 71.449 0.3 1 156 22 22 THR CG2 C 21.567 0.3 1 157 22 22 THR N N 114.294 0.3 1 158 23 23 VAL H H 7.631 0.02 1 159 23 23 VAL HA H 4.629 0.02 1 160 23 23 VAL HB H 1.713 0.02 1 161 23 23 VAL HG1 H 0.902 0.02 2 162 23 23 VAL HG2 H 0.747 0.02 2 163 23 23 VAL CA C 60.043 0.3 1 164 23 23 VAL CB C 33.325 0.3 1 165 23 23 VAL CG1 C 20.599 0.3 2 166 23 23 VAL CG2 C 20.878 0.3 2 167 23 23 VAL N N 125.283 0.3 1 168 24 24 PRO HA H 4.494 0.02 1 169 24 24 PRO HG2 H 1.984 0.02 2 170 24 24 PRO HG3 H 1.927 0.02 2 171 24 24 PRO HD2 H 3.103 0.02 2 172 24 24 PRO HD3 H 3.412 0.02 2 173 24 24 PRO CA C 62.587 0.3 1 174 24 24 PRO CD C 51.190 0.3 1 175 25 25 THR H H 8.693 0.02 1 176 25 25 THR HA H 4.261 0.02 1 177 25 25 THR HB H 4.010 0.02 1 178 25 25 THR HG1 H 5.117 0.02 1 179 25 25 THR HG2 H 0.927 0.02 1 180 25 25 THR CA C 61.742 0.3 1 181 25 25 THR CB C 69.710 0.3 1 182 25 25 THR CG2 C 22.714 0.3 1 183 25 25 THR N N 117.670 0.3 1 184 26 26 LYS H H 8.784 0.02 1 185 26 26 LYS HA H 4.397 0.02 1 186 26 26 LYS HB2 H 1.632 0.02 2 187 26 26 LYS HB3 H 1.370 0.02 2 188 26 26 LYS HG2 H 1.355 0.02 1 189 26 26 LYS HG3 H 1.355 0.02 1 190 26 26 LYS HD2 H 1.553 0.02 2 191 26 26 LYS HD3 H 1.538 0.02 2 192 26 26 LYS CA C 57.056 0.3 1 193 26 26 LYS CB C 33.921 0.3 1 194 26 26 LYS CD C 29.039 0.3 1 195 26 26 LYS N N 125.918 0.3 1 196 27 27 SER H H 8.170 0.02 1 197 27 27 SER HA H 4.557 0.02 1 198 27 27 SER HB2 H 3.660 0.02 1 199 27 27 SER HB3 H 3.660 0.02 1 200 27 27 SER CA C 57.847 0.3 1 201 27 27 SER CB C 64.238 0.3 1 202 27 27 SER N N 113.067 0.3 1 203 28 28 GLU H H 8.360 0.02 1 204 28 28 GLU HB2 H 2.140 0.02 1 205 28 28 GLU HB3 H 2.140 0.02 1 206 28 28 GLU N N 122.561 0.3 1 207 29 29 LEU H H 8.687 0.02 1 208 29 29 LEU HA H 3.737 0.02 1 209 29 29 LEU HG H 1.030 0.02 1 210 29 29 LEU HD1 H 0.321 0.02 2 211 29 29 LEU HD2 H -0.118 0.02 2 212 29 29 LEU CG C 26.086 0.3 1 213 29 29 LEU CD1 C 26.012 0.3 2 214 29 29 LEU CD2 C 23.327 0.3 2 215 29 29 LEU N N 122.601 0.3 1 216 30 30 ALA H H 8.628 0.02 1 217 30 30 ALA HA H 4.353 0.02 1 218 30 30 ALA HB H 1.169 0.02 1 219 30 30 ALA CA C 53.029 0.3 1 220 30 30 ALA CB C 19.511 0.3 1 221 30 30 ALA N N 128.991 0.3 1 222 31 31 VAL H H 8.032 0.02 1 223 31 31 VAL HA H 5.502 0.02 1 224 31 31 VAL HB H 1.189 0.02 1 225 31 31 VAL HG1 H -0.037 0.02 2 226 31 31 VAL HG2 H 0.567 0.02 2 227 31 31 VAL CA C 57.983 0.3 1 228 31 31 VAL CB C 35.132 0.3 1 229 31 31 VAL CG1 C 21.388 0.3 2 230 31 31 VAL CG2 C 20.257 0.3 2 231 31 31 VAL N N 115.535 0.3 1 232 32 32 GLU H H 9.001 0.02 1 233 32 32 GLU HA H 4.688 0.02 1 234 32 32 GLU HB2 H 2.059 0.02 2 235 32 32 GLU HB3 H 2.067 0.02 2 236 32 32 GLU N N 125.689 0.3 1 237 33 33 ILE H H 8.557 0.02 1 238 33 33 ILE HA H 4.152 0.02 1 239 33 33 ILE HB H 1.888 0.02 1 240 33 33 ILE HG12 H 1.209 0.02 2 241 33 33 ILE HG13 H 1.332 0.02 2 242 33 33 ILE HG2 H 0.971 0.02 1 243 33 33 ILE HD1 H 0.753 0.02 1 244 33 33 ILE CB C 36.705 0.3 1 245 33 33 ILE CG1 C 27.363 0.3 1 246 33 33 ILE CG2 C 18.226 0.3 1 247 33 33 ILE CD1 C 12.572 0.3 1 248 33 33 ILE N N 121.512 0.3 1 249 34 34 LEU H H 9.114 0.02 1 250 34 34 LEU HA H 4.572 0.02 1 251 34 34 LEU HB2 H 1.659 0.02 2 252 34 34 LEU HB3 H 1.668 0.02 2 253 34 34 LEU HG H 1.567 0.02 1 254 34 34 LEU HD1 H 0.750 0.02 2 255 34 34 LEU HD2 H 0.938 0.02 2 256 34 34 LEU CA C 53.550 0.3 1 257 34 34 LEU CB C 42.459 0.3 1 258 34 34 LEU CG C 27.485 0.3 1 259 34 34 LEU CD1 C 22.268 0.3 2 260 34 34 LEU CD2 C 26.159 0.3 2 261 34 34 LEU N N 128.967 0.3 1 262 35 35 GLU H H 8.078 0.02 1 263 35 35 GLU HA H 4.384 0.02 1 264 35 35 GLU HB2 H 1.684 0.02 2 265 35 35 GLU HB3 H 1.681 0.02 2 266 35 35 GLU HG2 H 2.234 0.02 2 267 35 35 GLU HG3 H 2.255 0.02 2 268 35 35 GLU CB C 29.211 0.3 1 269 35 35 GLU CG C 36.139 0.3 1 270 35 35 GLU N N 118.372 0.3 1 271 36 36 LYS HA H 4.811 0.02 1 272 36 36 LYS HB2 H 1.896 0.02 1 273 36 36 LYS HB3 H 1.896 0.02 1 274 36 36 LYS HG2 H -0.313 0.02 2 275 36 36 LYS HG3 H 0.472 0.02 2 276 36 36 LYS HD2 H 0.753 0.02 1 277 36 36 LYS HD3 H 0.753 0.02 1 278 36 36 LYS HE2 H 2.268 0.02 2 279 36 36 LYS HE3 H 2.099 0.02 2 280 36 36 LYS CG C 24.392 0.3 1 281 36 36 LYS CD C 29.188 0.3 1 282 36 36 LYS CE C 41.408 0.3 1 283 37 37 GLY H H 8.348 0.02 1 284 37 37 GLY HA2 H 3.377 0.02 2 285 37 37 GLY HA3 H 4.226 0.02 2 286 37 37 GLY N N 107.119 0.3 1 287 38 38 GLN H H 7.404 0.02 1 288 38 38 GLN HA H 4.244 0.02 1 289 38 38 GLN HB2 H 2.153 0.02 2 290 38 38 GLN HB3 H 2.033 0.02 2 291 38 38 GLN HG2 H 2.305 0.02 1 292 38 38 GLN HG3 H 2.305 0.02 1 293 38 38 GLN HE21 H 7.572 0.02 1 294 38 38 GLN HE22 H 6.478 0.02 1 295 38 38 GLN N N 119.546 0.3 1 296 38 38 GLN NE2 N 112.078 0.3 1 297 39 39 VAL H H 8.755 0.02 1 298 39 39 VAL HA H 4.457 0.02 1 299 39 39 VAL HB H 1.911 0.02 1 300 39 39 VAL HG1 H 0.561 0.02 2 301 39 39 VAL HG2 H 0.767 0.02 2 302 39 39 VAL CA C 61.373 0.3 1 303 39 39 VAL CB C 33.788 0.3 1 304 39 39 VAL CG1 C 22.628 0.3 2 305 39 39 VAL CG2 C 20.592 0.3 2 306 39 39 VAL N N 122.746 0.3 1 307 40 40 ARG H H 8.920 0.02 1 308 40 40 ARG HA H 4.155 0.02 1 309 40 40 ARG HB2 H 1.788 0.02 2 310 40 40 ARG HB3 H 1.920 0.02 2 311 40 40 ARG HG2 H 1.704 0.02 2 312 40 40 ARG HG3 H 1.589 0.02 2 313 40 40 ARG HD2 H 3.071 0.02 1 314 40 40 ARG HD3 H 3.071 0.02 1 315 40 40 ARG HE H 7.190 0.02 1 316 40 40 ARG HH12 H 6.803 0.02 1 317 40 40 ARG CB C 31.287 0.3 1 318 40 40 ARG CG C 27.311 0.3 1 319 40 40 ARG CD C 43.574 0.3 1 320 40 40 ARG N N 126.947 0.3 1 321 41 41 PHE H H 9.709 0.02 1 322 41 41 PHE HA H 5.576 0.02 1 323 41 41 PHE HB2 H 3.158 0.02 2 324 41 41 PHE HB3 H 3.353 0.02 2 325 41 41 PHE HD1 H 6.787 0.02 1 326 41 41 PHE HD2 H 6.787 0.02 1 327 41 41 PHE HE1 H 7.077 0.02 1 328 41 41 PHE HE2 H 7.077 0.02 1 329 41 41 PHE CA C 55.704 0.3 1 330 41 41 PHE CD1 C 132.083 0.3 1 331 41 41 PHE CD2 C 132.083 0.3 1 332 41 41 PHE N N 128.189 0.3 1 333 42 42 TRP H H 9.516 0.02 1 334 42 42 TRP HA H 6.171 0.02 1 335 42 42 TRP HD1 H 6.737 0.02 1 336 42 42 TRP HE1 H 10.167 0.02 1 337 42 42 TRP HZ2 H 7.383 0.02 1 338 42 42 TRP HZ3 H 6.840 0.02 1 339 42 42 TRP HH2 H 7.032 0.02 1 340 42 42 TRP CA C 55.831 0.3 1 341 42 42 TRP CD1 C 125.074 0.3 1 342 42 42 TRP CZ2 C 114.504 0.3 1 343 42 42 TRP CH2 C 124.097 0.3 1 344 42 42 TRP N N 120.420 0.3 1 345 42 42 TRP NE1 N 129.872 0.3 1 346 43 43 MET H H 9.134 0.02 1 347 43 43 MET HA H 4.079 0.02 1 348 43 43 MET HB2 H 2.067 0.02 2 349 43 43 MET HB3 H 2.073 0.02 2 350 43 43 MET HG2 H 2.511 0.02 2 351 43 43 MET HG3 H 2.125 0.02 2 352 43 43 MET HE H 1.845 0.02 1 353 43 43 MET CE C 17.622 0.3 1 354 43 43 MET N N 116.348 0.3 1 355 44 44 GLN H H 8.411 0.02 1 356 44 44 GLN HA H 5.372 0.02 1 357 44 44 GLN HG2 H 2.313 0.02 2 358 44 44 GLN HG3 H 2.405 0.02 2 359 44 44 GLN HE21 H 7.902 0.02 1 360 44 44 GLN HE22 H 6.977 0.02 1 361 44 44 GLN CA C 54.828 0.3 1 362 44 44 GLN N N 119.502 0.3 1 363 44 44 GLN NE2 N 110.460 0.3 1 364 45 45 ALA H H 9.533 0.02 1 365 45 45 ALA HA H 4.140 0.02 1 366 45 45 ALA HB H 1.315 0.02 1 367 45 45 ALA CA C 51.017 0.3 1 368 45 45 ALA CB C 20.243 0.3 1 369 45 45 ALA N N 132.825 0.3 1 370 46 46 GLU H H 8.095 0.02 1 371 46 46 GLU HA H 3.952 0.02 1 372 46 46 GLU HB2 H 1.792 0.02 2 373 46 46 GLU HB3 H 1.920 0.02 2 374 46 46 GLU HG2 H 2.111 0.02 2 375 46 46 GLU HG3 H 2.168 0.02 2 376 46 46 GLU CA C 58.684 0.3 1 377 46 46 GLU CB C 30.565 0.3 1 378 46 46 GLU CG C 36.314 0.3 1 379 46 46 GLU N N 119.058 0.3 1 380 47 47 LYS H H 7.639 0.02 1 381 47 47 LYS HA H 4.122 0.02 1 382 47 47 LYS HB2 H 1.738 0.02 2 383 47 47 LYS HB3 H 1.740 0.02 2 384 47 47 LYS HG2 H 1.359 0.02 2 385 47 47 LYS HG3 H 1.304 0.02 2 386 47 47 LYS HD2 H 1.626 0.02 2 387 47 47 LYS HD3 H 1.668 0.02 2 388 47 47 LYS HE2 H 2.949 0.02 2 389 47 47 LYS HE3 H 2.971 0.02 2 390 47 47 LYS CA C 56.073 0.3 1 391 47 47 LYS CB C 34.068 0.3 1 392 47 47 LYS CG C 24.453 0.3 1 393 47 47 LYS CD C 29.063 0.3 1 394 47 47 LYS CE C 41.976 0.3 1 395 47 47 LYS N N 114.468 0.3 1 396 48 48 LEU H H 8.763 0.02 1 397 48 48 LEU HA H 4.576 0.02 1 398 48 48 LEU HB2 H 1.665 0.02 2 399 48 48 LEU HB3 H 1.306 0.02 2 400 48 48 LEU HG H 1.558 0.02 1 401 48 48 LEU HD1 H 0.746 0.02 2 402 48 48 LEU HD2 H 0.671 0.02 2 403 48 48 LEU CA C 53.551 0.3 1 404 48 48 LEU CB C 44.992 0.3 1 405 48 48 LEU CG C 26.454 0.3 1 406 48 48 LEU CD1 C 23.674 0.3 2 407 48 48 LEU CD2 C 25.935 0.3 2 408 48 48 LEU N N 124.288 0.3 1 409 49 49 SER H H 9.520 0.02 1 410 49 49 SER HB2 H 3.858 0.02 1 411 49 49 SER HB3 H 3.858 0.02 1 412 49 49 SER N N 120.333 0.3 1 413 50 50 SER H H 8.664 0.02 1 414 50 50 SER N N 117.469 0.3 1 415 51 51 ASN H H 8.335 0.02 1 416 51 51 ASN HA H 4.804 0.02 1 417 51 51 ASN HB2 H 2.922 0.02 2 418 51 51 ASN HB3 H 2.562 0.02 2 419 51 51 ASN HD21 H 7.621 0.02 1 420 51 51 ASN HD22 H 7.003 0.02 1 421 51 51 ASN N N 117.316 0.3 1 422 51 51 ASN ND2 N 114.191 0.3 1 423 52 52 ALA H H 7.324 0.02 1 424 52 52 ALA HA H 4.569 0.02 1 425 52 52 ALA HB H 1.313 0.02 1 426 52 52 ALA CA C 53.395 0.3 1 427 52 52 ALA CB C 19.665 0.3 1 428 52 52 ALA N N 123.916 0.3 1 429 53 53 LYS H H 9.234 0.02 1 430 53 53 LYS HA H 4.759 0.02 1 431 53 53 LYS HB2 H 1.877 0.02 2 432 53 53 LYS HB3 H 1.810 0.02 2 433 53 53 LYS HG2 H 1.460 0.02 1 434 53 53 LYS HG3 H 1.460 0.02 1 435 53 53 LYS HD2 H 1.673 0.02 2 436 53 53 LYS HD3 H 1.674 0.02 2 437 53 53 LYS CA C 54.552 0.3 1 438 53 53 LYS CB C 35.506 0.3 1 439 53 53 LYS N N 123.499 0.3 1 440 54 54 VAL H H 8.576 0.02 1 441 54 54 VAL HA H 4.907 0.02 1 442 54 54 VAL HB H 1.647 0.02 1 443 54 54 VAL HG1 H 0.689 0.02 2 444 54 54 VAL HG2 H 0.111 0.02 2 445 54 54 VAL CA C 60.296 0.3 1 446 54 54 VAL CB C 34.294 0.3 1 447 54 54 VAL CG1 C 21.614 0.3 2 448 54 54 VAL CG2 C 20.298 0.3 2 449 54 54 VAL N N 124.860 0.3 1 450 55 55 SER H H 9.036 0.02 1 451 55 55 SER HA H 4.856 0.02 1 452 55 55 SER HB2 H 3.526 0.02 2 453 55 55 SER HB3 H 3.527 0.02 2 454 55 55 SER CA C 56.967 0.3 1 455 55 55 SER CB C 64.921 0.3 1 456 55 55 SER N N 122.749 0.3 1 457 56 56 TYR H H 9.012 0.02 1 458 56 56 TYR HA H 4.588 0.02 1 459 56 56 TYR HB2 H 2.559 0.02 2 460 56 56 TYR HB3 H 2.205 0.02 2 461 56 56 TYR HD1 H 6.536 0.02 1 462 56 56 TYR HD2 H 6.536 0.02 1 463 56 56 TYR HE1 H 5.974 0.02 1 464 56 56 TYR HE2 H 5.974 0.02 1 465 56 56 TYR CB C 39.574 0.3 1 466 56 56 TYR CD1 C 133.807 0.3 1 467 56 56 TYR CD2 C 133.807 0.3 1 468 56 56 TYR CE1 C 117.470 0.3 1 469 56 56 TYR CE2 C 117.470 0.3 1 470 56 56 TYR N N 126.619 0.3 1 471 57 57 ILE H H 9.026 0.02 1 472 57 57 ILE HA H 4.512 0.02 1 473 57 57 ILE HB H 1.737 0.02 1 474 57 57 ILE HG12 H 1.110 0.02 2 475 57 57 ILE HG13 H 0.805 0.02 2 476 57 57 ILE HG2 H 0.534 0.02 1 477 57 57 ILE HD1 H 0.487 0.02 1 478 57 57 ILE CA C 59.115 0.3 1 479 57 57 ILE CB C 40.424 0.3 1 480 57 57 ILE CG1 C 26.889 0.3 1 481 57 57 ILE CG2 C 17.381 0.3 1 482 57 57 ILE CD1 C 12.213 0.3 1 483 57 57 ILE N N 123.435 0.3 1 484 58 58 PHE H H 8.808 0.02 1 485 58 58 PHE HA H 5.177 0.02 1 486 58 58 PHE HD1 H 6.081 0.02 1 487 58 58 PHE HD2 H 6.081 0.02 1 488 58 58 PHE HE1 H 6.782 0.02 1 489 58 58 PHE HE2 H 6.782 0.02 1 490 58 58 PHE HZ H 7.114 0.02 1 491 58 58 PHE CA C 54.452 0.3 1 492 58 58 PHE CZ C 131.152 0.3 1 493 58 58 PHE N N 126.476 0.3 1 494 59 59 ASN H H 8.821 0.02 1 495 59 59 ASN HA H 4.064 0.02 1 496 59 59 ASN HB2 H 2.634 0.02 2 497 59 59 ASN HB3 H 1.742 0.02 2 498 59 59 ASN HD21 H 7.062 0.02 1 499 59 59 ASN HD22 H 6.084 0.02 1 500 59 59 ASN CA C 53.132 0.3 1 501 59 59 ASN N N 129.328 0.3 1 502 59 59 ASN ND2 N 112.396 0.3 1 503 60 60 GLU H H 8.353 0.02 1 504 60 60 GLU HA H 3.388 0.02 1 505 60 60 GLU HB2 H 2.056 0.02 1 506 60 60 GLU HB3 H 2.056 0.02 1 507 60 60 GLU HG2 H 1.960 0.02 1 508 60 60 GLU HG3 H 1.960 0.02 1 509 60 60 GLU CG C 37.024 0.3 1 510 60 60 GLU N N 106.535 0.3 1 511 61 61 LYS H H 7.769 0.02 1 512 61 61 LYS HA H 4.594 0.02 1 513 61 61 LYS HB2 H 1.829 0.02 2 514 61 61 LYS HB3 H 1.822 0.02 2 515 61 61 LYS HG2 H 1.456 0.02 2 516 61 61 LYS HG3 H 1.445 0.02 2 517 61 61 LYS HD2 H 1.690 0.02 2 518 61 61 LYS HD3 H 1.679 0.02 2 519 61 61 LYS CB C 34.715 0.3 1 520 61 61 LYS CG C 24.686 0.3 1 521 61 61 LYS CD C 29.093 0.3 1 522 61 61 LYS N N 121.990 0.3 1 523 62 62 GLU H H 8.471 0.02 1 524 62 62 GLU HA H 4.467 0.02 1 525 62 62 GLU HB2 H 1.739 0.02 1 526 62 62 GLU HB3 H 1.739 0.02 1 527 62 62 GLU HG2 H 2.350 0.02 2 528 62 62 GLU HG3 H 1.749 0.02 2 529 62 62 GLU CB C 28.772 0.3 1 530 62 62 GLU CG C 36.070 0.3 1 531 62 62 GLU N N 124.852 0.3 1 532 63 63 ILE H H 8.446 0.02 1 533 63 63 ILE HA H 4.426 0.02 1 534 63 63 ILE HB H 1.491 0.02 1 535 63 63 ILE HG12 H 0.465 0.02 2 536 63 63 ILE HG13 H 0.661 0.02 2 537 63 63 ILE HG2 H 0.890 0.02 1 538 63 63 ILE HD1 H -0.357 0.02 1 539 63 63 ILE CA C 59.929 0.3 1 540 63 63 ILE CB C 40.286 0.3 1 541 63 63 ILE CG2 C 18.828 0.3 1 542 63 63 ILE CD1 C 11.856 0.3 1 543 63 63 ILE N N 121.121 0.3 1 544 64 64 PHE H H 8.033 0.02 1 545 64 64 PHE HA H 4.860 0.02 1 546 64 64 PHE HB2 H 3.367 0.02 2 547 64 64 PHE HB3 H 2.638 0.02 2 548 64 64 PHE HD1 H 7.305 0.02 1 549 64 64 PHE HD2 H 7.305 0.02 1 550 64 64 PHE CD1 C 132.213 0.3 1 551 64 64 PHE CD2 C 132.213 0.3 1 552 64 64 PHE N N 114.537 0.3 1 553 65 65 GLU H H 8.612 0.02 1 554 65 65 GLU HA H 4.445 0.02 1 555 65 65 GLU HB2 H 1.948 0.02 1 556 65 65 GLU HB3 H 1.948 0.02 1 557 65 65 GLU HG2 H 2.457 0.02 1 558 65 65 GLU HG3 H 2.457 0.02 1 559 65 65 GLU N N 123.056 0.3 1 560 66 66 GLY H H 9.083 0.02 1 561 66 66 GLY HA2 H 4.069 0.02 1 562 66 66 GLY HA3 H 4.069 0.02 1 563 66 66 GLY N N 117.452 0.3 1 564 67 67 PRO HA H 4.356 0.02 1 565 67 67 PRO HB2 H 2.372 0.02 1 566 67 67 PRO HB3 H 2.372 0.02 1 567 67 67 PRO HG2 H 1.999 0.02 1 568 67 67 PRO HG3 H 1.999 0.02 1 569 67 67 PRO HD2 H 3.717 0.02 1 570 67 67 PRO HD3 H 3.717 0.02 1 571 67 67 PRO CA C 64.104 0.3 1 572 68 68 LYS H H 7.690 0.02 1 573 68 68 LYS HA H 4.260 0.02 1 574 68 68 LYS HB2 H 1.068 0.02 1 575 68 68 LYS HB3 H 1.068 0.02 1 576 68 68 LYS HG2 H 0.244 0.02 2 577 68 68 LYS HG3 H 0.914 0.02 2 578 68 68 LYS HD2 H 1.688 0.02 2 579 68 68 LYS HD3 H 1.259 0.02 2 580 68 68 LYS HE2 H 2.759 0.02 2 581 68 68 LYS HE3 H 2.673 0.02 2 582 68 68 LYS HZ H 7.118 0.02 1 583 68 68 LYS CA C 57.840 0.3 1 584 68 68 LYS CE C 41.980 0.3 1 585 68 68 LYS N N 117.832 0.3 1 586 69 69 TYR H H 7.831 0.02 1 587 69 69 TYR HA H 5.212 0.02 1 588 69 69 TYR HB2 H 2.912 0.02 2 589 69 69 TYR HB3 H 2.533 0.02 2 590 69 69 TYR HD1 H 7.142 0.02 1 591 69 69 TYR HD2 H 7.142 0.02 1 592 69 69 TYR HE1 H 6.864 0.02 1 593 69 69 TYR HE2 H 6.864 0.02 1 594 69 69 TYR N N 118.189 0.3 1 595 70 70 LYS H H 8.282 0.02 1 596 70 70 LYS HA H 4.837 0.02 1 597 70 70 LYS HB2 H 1.967 0.02 2 598 70 70 LYS HB3 H 1.842 0.02 2 599 70 70 LYS HG2 H 1.528 0.02 2 600 70 70 LYS HG3 H 1.531 0.02 2 601 70 70 LYS HE2 H 2.933 0.02 1 602 70 70 LYS HE3 H 2.933 0.02 1 603 70 70 LYS CB C 35.852 0.3 1 604 70 70 LYS CG C 24.750 0.3 1 605 70 70 LYS N N 119.446 0.3 1 606 71 71 MET H H 8.822 0.02 1 607 71 71 MET HA H 5.118 0.02 1 608 71 71 MET HB2 H 2.224 0.02 2 609 71 71 MET HB3 H 1.511 0.02 2 610 71 71 MET HG2 H 2.637 0.02 2 611 71 71 MET HG3 H 2.632 0.02 2 612 71 71 MET HE H 1.051 0.02 1 613 71 71 MET CA C 56.544 0.3 1 614 71 71 MET CE C 19.604 0.3 1 615 71 71 MET N N 124.837 0.3 1 616 72 72 HIS H H 8.724 0.02 1 617 72 72 HIS HA H 4.833 0.02 1 618 72 72 HIS HB2 H 3.282 0.02 2 619 72 72 HIS HB3 H 3.310 0.02 2 620 72 72 HIS N N 118.898 0.3 1 621 73 73 ILE H H 8.099 0.02 1 622 73 73 ILE HA H 4.554 0.02 1 623 73 73 ILE HB H 1.619 0.02 1 624 73 73 ILE HG12 H 1.647 0.02 1 625 73 73 ILE HG13 H 1.647 0.02 1 626 73 73 ILE HG2 H 0.700 0.02 1 627 73 73 ILE HD1 H 0.865 0.02 1 628 73 73 ILE CA C 60.407 0.3 1 629 73 73 ILE CB C 41.844 0.3 1 630 73 73 ILE CG1 C 28.111 0.3 1 631 73 73 ILE CG2 C 17.226 0.3 1 632 73 73 ILE CD1 C 14.893 0.3 1 633 73 73 ILE N N 125.514 0.3 1 634 74 74 ASP H H 8.613 0.02 1 635 74 74 ASP N N 126.225 0.3 1 636 75 75 ARG H H 8.971 0.02 1 637 75 75 ARG HA H 3.864 0.02 1 638 75 75 ARG HG2 H 1.664 0.02 1 639 75 75 ARG HG3 H 1.664 0.02 1 640 75 75 ARG HH21 H 6.750 0.02 1 641 75 75 ARG HH22 H 6.750 0.02 1 642 75 75 ARG CA C 58.658 0.3 1 643 75 75 ARG CG C 27.332 0.3 1 644 75 75 ARG N N 123.213 0.3 1 645 76 76 ASN H H 8.670 0.02 1 646 76 76 ASN HA H 4.638 0.02 1 647 76 76 ASN HB2 H 3.097 0.02 2 648 76 76 ASN HB3 H 2.899 0.02 2 649 76 76 ASN HD21 H 7.933 0.02 1 650 76 76 ASN HD22 H 7.048 0.02 1 651 76 76 ASN CB C 38.806 0.3 1 652 76 76 ASN N N 115.977 0.3 1 653 76 76 ASN ND2 N 114.835 0.3 1 654 77 77 THR H H 7.554 0.02 1 655 77 77 THR HA H 4.423 0.02 1 656 77 77 THR HB H 4.328 0.02 1 657 77 77 THR HG2 H 1.212 0.02 1 658 77 77 THR CA C 61.661 0.3 1 659 77 77 THR CB C 70.590 0.3 1 660 77 77 THR CG2 C 21.457 0.3 1 661 77 77 THR N N 106.734 0.3 1 662 78 78 GLY H H 8.269 0.02 1 663 78 78 GLY HA2 H 3.294 0.02 2 664 78 78 GLY HA3 H 4.638 0.02 2 665 78 78 GLY CA C 45.326 0.3 1 666 78 78 GLY N N 111.813 0.3 1 667 79 79 ILE H H 7.656 0.02 1 668 79 79 ILE HA H 4.648 0.02 1 669 79 79 ILE HB H 1.894 0.02 1 670 79 79 ILE HG12 H 1.169 0.02 2 671 79 79 ILE HG13 H 1.642 0.02 2 672 79 79 ILE HG2 H 0.931 0.02 1 673 79 79 ILE HD1 H 0.824 0.02 1 674 79 79 ILE CB C 37.429 0.3 1 675 79 79 ILE CG1 C 28.197 0.3 1 676 79 79 ILE CG2 C 16.916 0.3 1 677 79 79 ILE CD1 C 11.440 0.3 1 678 79 79 ILE N N 121.769 0.3 1 679 80 80 ILE H H 8.586 0.02 1 680 80 80 ILE HA H 4.562 0.02 1 681 80 80 ILE HB H 1.663 0.02 1 682 80 80 ILE HG12 H 1.517 0.02 1 683 80 80 ILE HG13 H 1.517 0.02 1 684 80 80 ILE HG2 H 0.890 0.02 1 685 80 80 ILE HD1 H 0.837 0.02 1 686 80 80 ILE CG1 C 27.320 0.3 1 687 80 80 ILE CG2 C 20.601 0.3 1 688 80 80 ILE CD1 C 15.197 0.3 1 689 80 80 ILE N N 130.386 0.3 1 690 81 81 GLU H H 9.305 0.02 1 691 81 81 GLU HA H 6.126 0.02 1 692 81 81 GLU HG2 H 2.547 0.02 2 693 81 81 GLU HG3 H 2.412 0.02 2 694 81 81 GLU CA C 54.291 0.3 1 695 81 81 GLU N N 122.787 0.3 1 696 82 82 MET H H 9.582 0.02 1 697 82 82 MET HA H 5.379 0.02 1 698 82 82 MET HB2 H 1.885 0.02 2 699 82 82 MET HB3 H 2.113 0.02 2 700 82 82 MET HG2 H 2.342 0.02 2 701 82 82 MET HG3 H 2.322 0.02 2 702 82 82 MET HE H 1.448 0.02 1 703 82 82 MET CE C 17.723 0.3 1 704 82 82 MET N N 122.587 0.3 1 705 83 83 PHE H H 9.976 0.02 1 706 83 83 PHE HA H 6.146 0.02 1 707 83 83 PHE HB2 H 2.843 0.02 2 708 83 83 PHE HB3 H 3.100 0.02 2 709 83 83 PHE HD1 H 7.021 0.02 1 710 83 83 PHE HD2 H 7.021 0.02 1 711 83 83 PHE HE1 H 6.821 0.02 1 712 83 83 PHE HE2 H 6.821 0.02 1 713 83 83 PHE CA C 55.861 0.3 1 714 83 83 PHE CD1 C 131.080 0.3 1 715 83 83 PHE CD2 C 131.080 0.3 1 716 83 83 PHE CE1 C 130.909 0.3 1 717 83 83 PHE CE2 C 130.909 0.3 1 718 83 83 PHE N N 123.558 0.3 1 719 84 84 MET H H 9.195 0.02 1 720 84 84 MET HA H 4.962 0.02 1 721 84 84 MET HB2 H 1.755 0.02 2 722 84 84 MET HB3 H 2.515 0.02 2 723 84 84 MET HG2 H 2.657 0.02 2 724 84 84 MET HG3 H 2.832 0.02 2 725 84 84 MET HE H 2.155 0.02 1 726 84 84 MET CA C 55.278 0.3 1 727 84 84 MET CE C 17.632 0.3 1 728 84 84 MET N N 118.918 0.3 1 729 85 85 GLU H H 9.128 0.02 1 730 85 85 GLU HA H 4.124 0.02 1 731 85 85 GLU HB2 H 2.057 0.02 1 732 85 85 GLU HB3 H 2.057 0.02 1 733 85 85 GLU HG2 H 2.214 0.02 2 734 85 85 GLU HG3 H 2.390 0.02 2 735 85 85 GLU CA C 58.058 0.3 1 736 85 85 GLU CB C 31.205 0.3 1 737 85 85 GLU CG C 36.358 0.3 1 738 85 85 GLU N N 121.108 0.3 1 739 86 86 LYS H H 7.418 0.02 1 740 86 86 LYS HA H 4.534 0.02 1 741 86 86 LYS HB2 H 1.786 0.02 2 742 86 86 LYS HB3 H 1.788 0.02 2 743 86 86 LYS HG2 H 1.242 0.02 2 744 86 86 LYS HG3 H 1.250 0.02 2 745 86 86 LYS HD2 H 1.546 0.02 2 746 86 86 LYS HD3 H 1.528 0.02 2 747 86 86 LYS HE2 H 2.819 0.02 2 748 86 86 LYS HE3 H 2.815 0.02 2 749 86 86 LYS CB C 35.457 0.3 1 750 86 86 LYS CD C 28.855 0.3 1 751 86 86 LYS CE C 41.783 0.3 1 752 86 86 LYS N N 112.712 0.3 1 753 87 87 LEU H H 8.787 0.02 1 754 87 87 LEU HA H 4.921 0.02 1 755 87 87 LEU HB2 H 1.697 0.02 1 756 87 87 LEU HB3 H 1.697 0.02 1 757 87 87 LEU HD1 H 0.746 0.02 2 758 87 87 LEU HD2 H 0.740 0.02 2 759 87 87 LEU CD1 C 23.517 0.3 2 760 87 87 LEU CD2 C 26.091 0.3 2 761 87 87 LEU N N 122.582 0.3 1 762 88 88 GLN H H 10.060 0.02 1 763 88 88 GLN HA H 4.825 0.02 1 764 88 88 GLN HB2 H 1.883 0.02 1 765 88 88 GLN HB3 H 1.883 0.02 1 766 88 88 GLN HG2 H 2.361 0.02 2 767 88 88 GLN HG3 H 2.199 0.02 2 768 88 88 GLN HE21 H 7.848 0.02 1 769 88 88 GLN HE22 H 6.894 0.02 1 770 88 88 GLN N N 124.232 0.3 1 771 88 88 GLN NE2 N 112.262 0.3 1 772 89 89 ASP H H 9.633 0.02 1 773 89 89 ASP HB2 H 2.780 0.02 1 774 89 89 ASP HB3 H 2.780 0.02 1 775 89 89 ASP N N 128.139 0.3 1 776 90 90 GLU H H 9.132 0.02 1 777 90 90 GLU HA H 4.383 0.02 1 778 90 90 GLU HB2 H 2.161 0.02 1 779 90 90 GLU HB3 H 2.161 0.02 1 780 90 90 GLU CA C 57.533 0.3 1 781 90 90 GLU N N 115.331 0.3 1 782 91 91 ASP H H 7.749 0.02 1 783 91 91 ASP HA H 4.758 0.02 1 784 91 91 ASP HB2 H 2.794 0.02 1 785 91 91 ASP HB3 H 2.794 0.02 1 786 91 91 ASP N N 119.525 0.3 1 787 92 92 GLU H H 6.711 0.02 1 788 92 92 GLU HA H 3.168 0.02 1 789 92 92 GLU HB2 H 1.394 0.02 2 790 92 92 GLU HB3 H 1.684 0.02 2 791 92 92 GLU HG2 H 2.117 0.02 2 792 92 92 GLU HG3 H 2.457 0.02 2 793 92 92 GLU N N 122.142 0.3 1 794 93 93 GLY H H 8.350 0.02 1 795 93 93 GLY HA2 H 3.633 0.02 2 796 93 93 GLY HA3 H 4.769 0.02 2 797 93 93 GLY N N 114.130 0.3 1 798 94 94 THR H H 8.084 0.02 1 799 94 94 THR HA H 4.816 0.02 1 800 94 94 THR HB H 3.852 0.02 1 801 94 94 THR HG2 H 1.040 0.02 1 802 94 94 THR CB C 70.113 0.3 1 803 94 94 THR CG2 C 22.175 0.3 1 804 94 94 THR N N 117.470 0.3 1 805 95 95 TYR H H 9.325 0.02 1 806 95 95 TYR HA H 5.227 0.02 1 807 95 95 TYR HB2 H 2.977 0.02 2 808 95 95 TYR HB3 H 2.523 0.02 2 809 95 95 TYR HD1 H 6.753 0.02 1 810 95 95 TYR HD2 H 6.753 0.02 1 811 95 95 TYR HE1 H 6.526 0.02 1 812 95 95 TYR HE2 H 6.526 0.02 1 813 95 95 TYR HH H 8.788 0.02 1 814 95 95 TYR CA C 57.265 0.3 1 815 95 95 TYR N N 130.235 0.3 1 816 96 96 THR H H 9.388 0.02 1 817 96 96 THR HA H 5.351 0.02 1 818 96 96 THR HB H 3.592 0.02 1 819 96 96 THR HG2 H 1.039 0.02 1 820 96 96 THR CA C 60.990 0.3 1 821 96 96 THR CB C 73.261 0.3 1 822 96 96 THR CG2 C 22.105 0.3 1 823 96 96 THR N N 119.001 0.3 1 824 97 97 PHE H H 8.796 0.02 1 825 97 97 PHE HA H 5.317 0.02 1 826 97 97 PHE HB2 H 2.587 0.02 2 827 97 97 PHE HB3 H 3.355 0.02 2 828 97 97 PHE HD1 H 7.033 0.02 1 829 97 97 PHE HD2 H 7.033 0.02 1 830 97 97 PHE HE1 H 7.135 0.02 1 831 97 97 PHE HE2 H 7.135 0.02 1 832 97 97 PHE N N 126.178 0.3 1 833 98 98 GLN H H 9.040 0.02 1 834 98 98 GLN HA H 4.887 0.02 1 835 98 98 GLN HB2 H 2.067 0.02 2 836 98 98 GLN HB3 H 2.094 0.02 2 837 98 98 GLN HG2 H 2.106 0.02 2 838 98 98 GLN HG3 H 2.103 0.02 2 839 98 98 GLN HE21 H 7.096 0.02 1 840 98 98 GLN HE22 H 6.657 0.02 1 841 98 98 GLN CA C 54.235 0.3 1 842 98 98 GLN CB C 33.938 0.3 1 843 98 98 GLN CG C 33.931 0.3 1 844 98 98 GLN N N 122.749 0.3 1 845 98 98 GLN NE2 N 110.133 0.3 1 846 99 99 ILE H H 9.144 0.02 1 847 99 99 ILE HA H 4.678 0.02 1 848 99 99 ILE HB H 1.336 0.02 1 849 99 99 ILE HG12 H 1.379 0.02 2 850 99 99 ILE HG13 H 0.791 0.02 2 851 99 99 ILE HG2 H 0.716 0.02 1 852 99 99 ILE HD1 H 0.737 0.02 1 853 99 99 ILE CB C 41.729 0.3 1 854 99 99 ILE CG1 C 28.436 0.3 1 855 99 99 ILE CG2 C 19.187 0.3 1 856 99 99 ILE CD1 C 14.968 0.3 1 857 99 99 ILE N N 124.991 0.3 1 858 100 100 GLN H H 8.972 0.02 1 859 100 100 GLN HA H 4.928 0.02 1 860 100 100 GLN HB2 H 1.955 0.02 2 861 100 100 GLN HB3 H 1.989 0.02 2 862 100 100 GLN HG2 H 2.332 0.02 2 863 100 100 GLN HG3 H 2.297 0.02 2 864 100 100 GLN HE21 H 7.510 0.02 1 865 100 100 GLN HE22 H 6.685 0.02 1 866 100 100 GLN CA C 54.578 0.3 1 867 100 100 GLN CB C 31.670 0.3 1 868 100 100 GLN CG C 33.557 0.3 1 869 100 100 GLN N N 127.673 0.3 1 870 100 100 GLN NE2 N 112.033 0.3 1 871 101 101 ASP H H 8.906 0.02 1 872 101 101 ASP HA H 4.792 0.02 1 873 101 101 ASP HB2 H 2.887 0.02 1 874 101 101 ASP HB3 H 2.887 0.02 1 875 101 101 ASP N N 126.486 0.3 1 876 102 102 GLY H H 9.049 0.02 1 877 102 102 GLY HA2 H 3.595 0.02 2 878 102 102 GLY HA3 H 4.060 0.02 2 879 102 102 GLY N N 116.107 0.3 1 880 103 103 LYS H H 9.056 0.02 1 881 103 103 LYS HA H 4.190 0.02 1 882 103 103 LYS HB2 H 1.607 0.02 2 883 103 103 LYS HB3 H 1.608 0.02 2 884 103 103 LYS HG2 H 1.468 0.02 2 885 103 103 LYS HG3 H 1.238 0.02 2 886 103 103 LYS HE2 H 2.935 0.02 2 887 103 103 LYS HE3 H 2.945 0.02 2 888 103 103 LYS CA C 56.237 0.3 1 889 103 103 LYS CB C 33.165 0.3 1 890 103 103 LYS CG C 24.748 0.3 1 891 104 104 ALA H H 7.739 0.02 1 892 104 104 ALA HA H 4.578 0.02 1 893 104 104 ALA HB H 1.304 0.02 1 894 104 104 ALA CA C 51.375 0.3 1 895 104 104 ALA CB C 20.725 0.3 1 896 104 104 ALA N N 121.981 0.3 1 897 105 105 THR H H 7.942 0.02 1 898 105 105 THR HA H 5.329 0.02 1 899 105 105 THR HB H 4.140 0.02 1 900 105 105 THR HG2 H 1.150 0.02 1 901 105 105 THR CA C 59.567 0.3 1 902 105 105 THR CB C 72.221 0.3 1 903 105 105 THR CG2 C 21.674 0.3 1 904 105 105 THR N N 112.238 0.3 1 905 106 106 GLY H H 8.867 0.02 1 906 106 106 GLY HA2 H 4.630 0.02 2 907 106 106 GLY HA3 H 3.929 0.02 2 908 106 106 GLY N N 110.585 0.3 1 909 107 107 HIS H H 8.469 0.02 1 910 107 107 HIS HA H 5.590 0.02 1 911 107 107 HIS HB2 H 2.861 0.02 2 912 107 107 HIS HB3 H 3.246 0.02 2 913 107 107 HIS HD2 H 7.367 0.02 1 914 107 107 HIS CA C 55.577 0.3 1 915 107 107 HIS N N 116.082 0.3 1 916 108 108 SER H H 8.358 0.02 1 917 108 108 SER HA H 4.530 0.02 1 918 108 108 SER HB2 H 3.707 0.02 2 919 108 108 SER HB3 H 3.702 0.02 2 920 108 108 SER CB C 64.832 0.3 1 921 108 108 SER N N 113.795 0.3 1 922 109 109 THR H H 8.471 0.02 1 923 109 109 THR HA H 5.495 0.02 1 924 109 109 THR HB H 3.742 0.02 1 925 109 109 THR HG2 H 1.089 0.02 1 926 109 109 THR CA C 61.874 0.3 1 927 109 109 THR CB C 72.571 0.3 1 928 109 109 THR CG2 C 22.432 0.3 1 929 109 109 THR N N 124.518 0.3 1 930 110 110 LEU H H 9.962 0.02 1 931 110 110 LEU HA H 4.761 0.02 1 932 110 110 LEU HG H 1.430 0.02 1 933 110 110 LEU HD1 H 0.793 0.02 2 934 110 110 LEU HD2 H 0.989 0.02 2 935 110 110 LEU CG C 26.972 0.3 1 936 110 110 LEU CD1 C 26.697 0.3 2 937 110 110 LEU CD2 C 23.084 0.3 2 938 110 110 LEU N N 131.515 0.3 1 939 111 111 VAL H H 8.972 0.02 1 940 111 111 VAL HA H 4.229 0.02 1 941 111 111 VAL HB H 2.142 0.02 1 942 111 111 VAL HG1 H 0.960 0.02 2 943 111 111 VAL HG2 H 0.972 0.02 2 944 111 111 VAL CA C 63.101 0.3 1 945 111 111 VAL CB C 31.695 0.3 1 946 111 111 VAL CG1 C 21.561 0.3 2 947 111 111 VAL CG2 C 21.169 0.3 2 948 111 111 VAL N N 128.899 0.3 1 949 112 112 LEU H H 8.973 0.02 1 950 112 112 LEU HA H 4.834 0.02 1 951 112 112 LEU HB2 H 2.415 0.02 1 952 112 112 LEU HB3 H 2.415 0.02 1 953 112 112 LEU HG H 1.827 0.02 1 954 112 112 LEU HD1 H 1.033 0.02 2 955 112 112 LEU HD2 H 0.993 0.02 2 956 112 112 LEU CG C 26.811 0.3 1 957 112 112 LEU CD1 C 26.141 0.3 2 958 112 112 LEU CD2 C 24.287 0.3 2 959 112 112 LEU N N 132.815 0.3 1 960 113 113 ILE H H 7.575 0.02 1 961 113 113 ILE HA H 4.896 0.02 1 962 113 113 ILE HB H 1.754 0.02 1 963 113 113 ILE HG12 H 0.923 0.02 2 964 113 113 ILE HG13 H 1.356 0.02 2 965 113 113 ILE HG2 H 0.838 0.02 1 966 113 113 ILE HD1 H 0.775 0.02 1 967 113 113 ILE CA C 59.184 0.3 1 968 113 113 ILE CB C 42.991 0.3 1 969 113 113 ILE CG1 C 26.444 0.3 1 970 113 113 ILE CG2 C 17.172 0.3 1 971 113 113 ILE CD1 C 13.466 0.3 1 972 113 113 ILE N N 116.434 0.3 1 973 114 114 GLY H H 9.537 0.02 1 974 114 114 GLY HA2 H 3.892 0.02 2 975 114 114 GLY HA3 H 3.889 0.02 2 976 114 114 GLY N N 113.859 0.3 1 977 115 115 ASP HA H 4.355 0.02 1 978 115 115 ASP HB2 H 2.724 0.02 2 979 115 115 ASP HB3 H 2.708 0.02 2 980 115 115 ASP CA C 58.024 0.3 1 981 115 115 ASP CB C 40.297 0.3 1 982 116 116 VAL H H 8.126 0.02 1 983 116 116 VAL HA H 3.787 0.02 1 984 116 116 VAL HB H 2.372 0.02 1 985 116 116 VAL HG1 H 1.116 0.02 2 986 116 116 VAL HG2 H 1.183 0.02 2 987 116 116 VAL CA C 65.673 0.3 1 988 116 116 VAL CB C 31.996 0.3 1 989 116 116 VAL CG1 C 20.852 0.3 2 990 116 116 VAL CG2 C 22.254 0.3 2 991 116 116 VAL N N 118.685 0.3 1 992 117 117 TYR H H 6.973 0.02 1 993 117 117 TYR HA H 4.039 0.02 1 994 117 117 TYR HB2 H 2.785 0.02 2 995 117 117 TYR HB3 H 3.070 0.02 2 996 117 117 TYR HD1 H 7.017 0.02 1 997 117 117 TYR HD2 H 7.017 0.02 1 998 117 117 TYR HE1 H 6.643 0.02 1 999 117 117 TYR HE2 H 6.643 0.02 1 1000 117 117 TYR CA C 61.678 0.3 1 1001 117 117 TYR CD1 C 132.422 0.3 1 1002 117 117 TYR CD2 C 132.422 0.3 1 1003 117 117 TYR CE1 C 117.898 0.3 1 1004 117 117 TYR CE2 C 117.898 0.3 1 1005 117 117 TYR N N 120.665 0.3 1 1006 118 118 LYS H H 8.245 0.02 1 1007 118 118 LYS HA H 3.973 0.02 1 1008 118 118 LYS HG2 H 1.656 0.02 2 1009 118 118 LYS HG3 H 1.663 0.02 2 1010 118 118 LYS HD2 H 1.734 0.02 2 1011 118 118 LYS HD3 H 1.857 0.02 2 1012 118 118 LYS HE2 H 3.066 0.02 2 1013 118 118 LYS HE3 H 3.021 0.02 2 1014 118 118 LYS CA C 58.582 0.3 1 1015 118 118 LYS CG C 24.862 0.3 1 1016 118 118 LYS CD C 27.914 0.3 1 1017 118 118 LYS N N 117.599 0.3 1 1018 119 119 LYS H H 8.050 0.02 1 1019 119 119 LYS HA H 3.975 0.02 1 1020 119 119 LYS HB2 H 1.870 0.02 2 1021 119 119 LYS HB3 H 1.871 0.02 2 1022 119 119 LYS HG2 H 1.379 0.02 2 1023 119 119 LYS HG3 H 1.599 0.02 2 1024 119 119 LYS HD2 H 1.686 0.02 2 1025 119 119 LYS HD3 H 1.680 0.02 2 1026 119 119 LYS HE2 H 2.967 0.02 1 1027 119 119 LYS HE3 H 2.967 0.02 1 1028 119 119 LYS CA C 59.812 0.3 1 1029 119 119 LYS CB C 32.306 0.3 1 1030 119 119 LYS CG C 24.889 0.3 1 1031 119 119 LYS CD C 29.100 0.3 1 1032 119 119 LYS N N 118.778 0.3 1 1033 120 120 LEU H H 7.175 0.02 1 1034 120 120 LEU HA H 4.106 0.02 1 1035 120 120 LEU HB2 H 1.620 0.02 2 1036 120 120 LEU HB3 H 1.612 0.02 2 1037 120 120 LEU HG H 1.446 0.02 1 1038 120 120 LEU HD1 H 0.808 0.02 2 1039 120 120 LEU HD2 H 0.792 0.02 2 1040 120 120 LEU CA C 57.841 0.3 1 1041 120 120 LEU CB C 42.072 0.3 1 1042 120 120 LEU CG C 26.636 0.3 1 1043 120 120 LEU CD1 C 24.436 0.3 2 1044 120 120 LEU CD2 C 26.504 0.3 2 1045 120 120 LEU N N 122.448 0.3 1 1046 121 121 GLN H H 8.509 0.02 1 1047 121 121 GLN HA H 3.732 0.02 1 1048 121 121 GLN HB2 H 1.971 0.02 1 1049 121 121 GLN HG2 H 2.375 0.02 2 1050 121 121 GLN HG3 H 2.369 0.02 2 1051 121 121 GLN HE21 H 7.357 0.02 1 1052 121 121 GLN HE22 H 6.963 0.02 1 1053 121 121 GLN CA C 59.611 0.3 1 1054 121 121 GLN N N 117.786 0.3 1 1055 121 121 GLN NE2 N 109.782 0.3 1 1056 122 122 LYS H H 7.939 0.02 1 1057 122 122 LYS HA H 4.045 0.02 1 1058 122 122 LYS HB2 H 1.951 0.02 2 1059 122 122 LYS HB3 H 1.957 0.02 2 1060 122 122 LYS HE2 H 2.993 0.02 1 1061 122 122 LYS HE3 H 2.993 0.02 1 1062 122 122 LYS HZ H 7.084 0.02 1 1063 122 122 LYS CA C 59.409 0.3 1 1064 122 122 LYS CB C 32.122 0.3 1 1065 122 122 LYS N N 118.571 0.3 1 1066 123 123 GLU H H 8.084 0.02 1 1067 123 123 GLU HA H 4.255 0.02 1 1068 123 123 GLU HB2 H 2.057 0.02 1 1069 123 123 GLU HG2 H 2.457 0.02 1 1070 123 123 GLU HG3 H 2.457 0.02 1 1071 123 123 GLU N N 121.864 0.3 1 1072 124 124 ALA H H 8.825 0.02 1 1073 124 124 ALA HA H 4.068 0.02 1 1074 124 124 ALA HB H 1.518 0.02 1 1075 124 124 ALA CA C 55.901 0.3 1 1076 124 124 ALA CB C 17.511 0.3 1 1077 124 124 ALA N N 123.745 0.3 1 1078 125 125 GLU H H 8.195 0.02 1 1079 125 125 GLU HA H 4.256 0.02 1 1080 125 125 GLU HB2 H 2.159 0.02 2 1081 125 125 GLU HB3 H 2.125 0.02 2 1082 125 125 GLU HG2 H 2.452 0.02 1 1083 125 125 GLU HG3 H 2.452 0.02 1 1084 125 125 GLU CA C 58.577 0.3 1 1085 125 125 GLU CB C 29.221 0.3 1 1086 125 125 GLU CG C 35.852 0.3 1 1087 125 125 GLU N N 118.291 0.3 1 1088 126 126 PHE H H 8.370 0.02 1 1089 126 126 PHE HA H 4.384 0.02 1 1090 126 126 PHE HB2 H 3.274 0.02 2 1091 126 126 PHE HB3 H 3.385 0.02 2 1092 126 126 PHE HD1 H 7.320 0.02 1 1093 126 126 PHE HD2 H 7.320 0.02 1 1094 126 126 PHE HE1 H 7.356 0.02 1 1095 126 126 PHE HE2 H 7.356 0.02 1 1096 126 126 PHE CA C 61.340 0.3 1 1097 126 126 PHE CB C 38.733 0.3 1 1098 126 126 PHE CD1 C 131.921 0.3 1 1099 126 126 PHE CD2 C 131.921 0.3 1 1100 126 126 PHE N N 120.855 0.3 1 1101 127 127 GLN H H 8.502 0.02 1 1102 127 127 GLN HA H 4.068 0.02 1 1103 127 127 GLN HB2 H 2.083 0.02 2 1104 127 127 GLN HB3 H 1.881 0.02 2 1105 127 127 GLN HG2 H 2.674 0.02 2 1106 127 127 GLN HG3 H 2.499 0.02 2 1107 127 127 GLN HE21 H 6.937 0.02 1 1108 127 127 GLN HE22 H 7.948 0.02 1 1109 127 127 GLN CA C 58.592 0.3 1 1110 127 127 GLN CB C 27.522 0.3 1 1111 127 127 GLN CG C 32.012 0.3 1 1112 127 127 GLN N N 117.287 0.3 1 1113 127 127 GLN NE2 N 112.674 0.3 1 1114 128 128 ARG H H 8.433 0.02 1 1115 128 128 ARG HB2 H 1.888 0.02 1 1116 128 128 ARG HB3 H 1.888 0.02 1 1117 128 128 ARG HE H 7.170 0.02 1 1118 128 128 ARG CB C 29.327 0.3 1 1119 128 128 ARG N N 121.672 0.3 1 1120 129 129 GLN H H 8.278 0.02 1 1121 129 129 GLN HA H 4.042 0.02 1 1122 129 129 GLN HB2 H 2.219 0.02 2 1123 129 129 GLN HB3 H 2.267 0.02 2 1124 129 129 GLN HG2 H 2.529 0.02 2 1125 129 129 GLN HG3 H 2.654 0.02 2 1126 129 129 GLN HE21 H 6.875 0.02 1 1127 129 129 GLN HE22 H 7.672 0.02 1 1128 129 129 GLN CA C 58.607 0.3 1 1129 129 129 GLN CB C 27.799 0.3 1 1130 129 129 GLN CG C 33.996 0.3 1 1131 129 129 GLN N N 117.560 0.3 1 1132 129 129 GLN NE2 N 112.037 0.3 1 1133 130 130 GLU H H 8.614 0.02 1 1134 130 130 GLU HB2 H 1.686 0.02 1 1135 130 130 GLU HB3 H 1.686 0.02 1 1136 130 130 GLU HG2 H 2.225 0.02 1 1137 130 130 GLU HG3 H 2.225 0.02 1 1138 130 130 GLU N N 122.043 0.3 1 1139 131 131 TRP H H 8.216 0.02 1 1140 131 131 TRP HB2 H 3.410 0.02 1 1141 131 131 TRP HB3 H 3.410 0.02 1 1142 131 131 TRP HD1 H 7.187 0.02 1 1143 131 131 TRP HE1 H 10.166 0.02 1 1144 131 131 TRP HE3 H 7.588 0.02 1 1145 131 131 TRP HZ2 H 7.338 0.02 1 1146 131 131 TRP HZ3 H 7.142 0.02 1 1147 131 131 TRP HH2 H 7.326 0.02 1 1148 131 131 TRP CD1 C 127.010 0.3 1 1149 131 131 TRP CZ3 C 124.667 0.3 1 1150 131 131 TRP N N 117.606 0.3 1 1151 131 131 TRP NE1 N 129.866 0.3 1 1152 132 132 ILE H H 7.836 0.02 1 1153 132 132 ILE HA H 4.044 0.02 1 1154 132 132 ILE HB H 1.956 0.02 1 1155 132 132 ILE HG12 H 1.274 0.02 1 1156 132 132 ILE HG13 H 1.274 0.02 1 1157 132 132 ILE HG2 H 0.927 0.02 1 1158 132 132 ILE HD1 H 0.947 0.02 1 1159 132 132 ILE CA C 65.060 0.3 1 1160 132 132 ILE CB C 38.372 0.3 1 1161 132 132 ILE CG1 C 29.148 0.3 1 1162 132 132 ILE CG2 C 16.954 0.3 1 1163 132 132 ILE CD1 C 13.256 0.3 1 1164 132 132 ILE N N 117.973 0.3 1 1165 133 133 ARG H H 8.279 0.02 1 1166 133 133 ARG HG2 H 1.627 0.02 1 1167 133 133 ARG HG3 H 1.627 0.02 1 1168 133 133 ARG N N 122.505 0.3 1 1169 134 134 LYS H H 7.545 0.02 1 1170 134 134 LYS N N 115.706 0.3 1 1171 135 135 GLN H H 7.181 0.02 1 1172 135 135 GLN HA H 3.833 0.02 1 1173 135 135 GLN HB2 H 1.563 0.02 2 1174 135 135 GLN HB3 H 2.025 0.02 2 1175 135 135 GLN HG2 H 1.790 0.02 1 1176 135 135 GLN HG3 H 1.790 0.02 1 1177 135 135 GLN HE21 H 6.159 0.02 1 1178 135 135 GLN HE22 H 6.001 0.02 1 1179 135 135 GLN CA C 55.236 0.3 1 1180 135 135 GLN CB C 27.393 0.3 1 1181 135 135 GLN N N 116.019 0.3 1 1182 135 135 GLN NE2 N 114.192 0.3 1 1183 136 136 GLY H H 7.031 0.02 1 1184 136 136 GLY HA2 H 4.158 0.02 1 1185 136 136 GLY HA3 H 4.158 0.02 1 1186 136 136 GLY CA C 43.295 0.3 1 1187 136 136 GLY N N 106.933 0.3 1 1188 137 137 PRO HD2 H 3.510 0.02 2 1189 137 137 PRO HD3 H 3.615 0.02 2 1190 140 140 ALA HA H 4.357 0.02 1 1191 140 140 ALA HB H 1.394 0.02 1 1192 140 140 ALA CA C 52.291 0.3 1 1193 140 140 ALA CB C 19.105 0.3 1 1194 141 141 GLU HA H 4.470 0.02 1 1195 141 141 GLU HB2 H 1.849 0.02 2 1196 141 141 GLU HB3 H 2.006 0.02 2 1197 141 141 GLU HG2 H 2.522 0.02 1 1198 141 141 GLU HG3 H 2.522 0.02 1 1199 141 141 GLU CA C 56.590 0.3 1 1200 141 141 GLU CB C 31.912 0.3 1 1201 142 142 TYR H H 8.558 0.02 1 1202 142 142 TYR HA H 3.959 0.02 1 1203 142 142 TYR HB2 H 2.767 0.02 2 1204 142 142 TYR HB3 H 3.212 0.02 2 1205 142 142 TYR HD1 H 7.047 0.02 1 1206 142 142 TYR HD2 H 7.047 0.02 1 1207 142 142 TYR HE1 H 6.870 0.02 1 1208 142 142 TYR HE2 H 6.870 0.02 1 1209 142 142 TYR CA C 58.547 0.3 1 1210 142 142 TYR CB C 38.945 0.3 1 1211 142 142 TYR CD1 C 131.954 0.3 1 1212 142 142 TYR CD2 C 131.954 0.3 1 1213 142 142 TYR N N 123.230 0.3 1 1214 143 143 LEU H H 7.965 0.02 1 1215 143 143 LEU HA H 4.236 0.02 1 1216 143 143 LEU HD1 H 0.827 0.02 2 1217 143 143 LEU HD2 H 0.984 0.02 2 1218 143 143 LEU CA C 56.017 0.3 1 1219 143 143 LEU CD1 C 25.880 0.3 2 1220 143 143 LEU CD2 C 24.779 0.3 2 1221 143 143 LEU N N 117.483 0.3 1 1222 144 144 SER H H 9.281 0.02 1 1223 144 144 SER HA H 4.665 0.02 1 1224 144 144 SER HB2 H 3.826 0.02 2 1225 144 144 SER HB3 H 3.983 0.02 2 1226 144 144 SER HG H 5.593 0.02 1 1227 144 144 SER N N 116.859 0.3 1 1228 145 145 TRP H H 7.962 0.02 1 1229 145 145 TRP HA H 6.103 0.02 1 1230 145 145 TRP HB2 H 2.862 0.02 1 1231 145 145 TRP HB3 H 2.862 0.02 1 1232 145 145 TRP HD1 H 7.052 0.02 1 1233 145 145 TRP HE1 H 10.213 0.02 1 1234 145 145 TRP HE3 H 7.638 0.02 1 1235 145 145 TRP HZ2 H 7.359 0.02 1 1236 145 145 TRP HZ3 H 6.804 0.02 1 1237 145 145 TRP HH2 H 7.064 0.02 1 1238 145 145 TRP CA C 54.449 0.3 1 1239 145 145 TRP CD1 C 126.576 0.3 1 1240 145 145 TRP CZ2 C 114.180 0.3 1 1241 145 145 TRP CH2 C 124.043 0.3 1 1242 145 145 TRP N N 114.471 0.3 1 1243 145 145 TRP NE1 N 129.338 0.3 1 1244 146 146 GLU H H 8.822 0.02 1 1245 146 146 GLU HA H 4.392 0.02 1 1246 146 146 GLU HB2 H 1.892 0.02 1 1247 146 146 GLU HB3 H 1.892 0.02 1 1248 146 146 GLU CA C 54.751 0.3 1 1249 146 146 GLU N N 117.983 0.3 1 1250 147 147 VAL H H 8.740 0.02 1 1251 147 147 VAL HA H 4.804 0.02 1 1252 147 147 VAL HB H 2.009 0.02 1 1253 147 147 VAL HG1 H 0.967 0.02 2 1254 147 147 VAL HG2 H 1.024 0.02 2 1255 147 147 VAL CA C 62.000 0.3 1 1256 147 147 VAL CB C 32.364 0.3 1 1257 147 147 VAL CG1 C 21.199 0.3 2 1258 147 147 VAL CG2 C 22.096 0.3 2 1259 147 147 VAL N N 123.791 0.3 1 1260 148 148 THR H H 8.540 0.02 1 1261 148 148 THR HA H 4.681 0.02 1 1262 148 148 THR HB H 4.163 0.02 1 1263 148 148 THR HG2 H 1.061 0.02 1 1264 148 148 THR CA C 60.000 0.3 1 1265 148 148 THR CB C 70.194 0.3 1 1266 148 148 THR CG2 C 21.576 0.3 1 1267 148 148 THR N N 120.675 0.3 1 1268 149 149 GLY H H 8.486 0.02 1 1269 149 149 GLY HA2 H 3.940 0.02 2 1270 149 149 GLY HA3 H 3.868 0.02 2 1271 149 149 GLY CA C 45.937 0.3 1 1272 149 149 GLY N N 111.830 0.3 1 1273 150 150 GLU H H 8.404 0.02 1 1274 150 150 GLU HA H 4.152 0.02 1 1275 150 150 GLU HB2 H 2.087 0.02 2 1276 150 150 GLU HB3 H 2.081 0.02 2 1277 150 150 GLU HG2 H 2.270 0.02 2 1278 150 150 GLU HG3 H 2.266 0.02 2 1279 150 150 GLU CA C 58.475 0.3 1 1280 150 150 GLU CB C 29.326 0.3 1 1281 150 150 GLU CG C 36.446 0.3 1 1282 150 150 GLU N N 118.793 0.3 1 1283 151 151 SER H H 8.299 0.02 1 1284 151 151 SER HA H 4.449 0.02 1 1285 151 151 SER HB2 H 4.098 0.02 2 1286 151 151 SER HB3 H 3.953 0.02 2 1287 151 151 SER CA C 58.075 0.3 1 1288 151 151 SER CB C 63.519 0.3 1 1289 151 151 SER N N 111.262 0.3 1 1290 152 152 ASN H H 7.791 0.02 1 1291 152 152 ASN HA H 5.468 0.02 1 1292 152 152 ASN HB2 H 3.036 0.02 2 1293 152 152 ASN HB3 H 2.616 0.02 2 1294 152 152 ASN HD21 H 7.416 0.02 1 1295 152 152 ASN HD22 H 7.154 0.02 1 1296 152 152 ASN CA C 51.598 0.3 1 1297 152 152 ASN CB C 40.052 0.3 1 1298 152 152 ASN N N 117.904 0.3 1 1299 152 152 ASN ND2 N 113.927 0.3 1 1300 153 153 VAL H H 8.794 0.02 1 1301 153 153 VAL HA H 4.626 0.02 1 1302 153 153 VAL HB H 1.570 0.02 1 1303 153 153 VAL HG1 H 0.184 0.02 2 1304 153 153 VAL HG2 H 0.600 0.02 2 1305 153 153 VAL CA C 61.680 0.3 1 1306 153 153 VAL CB C 35.645 0.3 1 1307 153 153 VAL CG1 C 21.858 0.3 2 1308 153 153 VAL CG2 C 21.508 0.3 2 1309 153 153 VAL N N 121.158 0.3 1 1310 154 154 LEU H H 9.188 0.02 1 1311 154 154 LEU HA H 5.278 0.02 1 1312 154 154 LEU HD1 H 0.851 0.02 2 1313 154 154 LEU HD2 H 0.807 0.02 2 1314 154 154 LEU CG C 27.247 0.3 1 1315 154 154 LEU CD1 C 24.238 0.3 2 1316 154 154 LEU CD2 C 26.254 0.3 2 1317 154 154 LEU N N 129.913 0.3 1 1318 155 155 LEU H H 9.112 0.02 1 1319 155 155 LEU HA H 5.261 0.02 1 1320 155 155 LEU HG H 1.529 0.02 1 1321 155 155 LEU HD1 H 0.667 0.02 2 1322 155 155 LEU HD2 H 0.524 0.02 2 1323 155 155 LEU CA C 53.947 0.3 1 1324 155 155 LEU CB C 43.213 0.3 1 1325 155 155 LEU CG C 27.913 0.3 1 1326 155 155 LEU CD1 C 25.030 0.3 2 1327 155 155 LEU CD2 C 26.037 0.3 2 1328 155 155 LEU N N 127.500 0.3 1 1329 156 156 LYS H H 8.759 0.02 1 1330 156 156 LYS HA H 5.492 0.02 1 1331 156 156 LYS HB2 H 1.590 0.02 2 1332 156 156 LYS HB3 H 1.593 0.02 2 1333 156 156 LYS HG2 H 1.491 0.02 1 1334 156 156 LYS HG3 H 1.491 0.02 1 1335 156 156 LYS CA C 54.494 0.3 1 1336 156 156 LYS CB C 36.842 0.3 1 1337 156 156 LYS CG C 24.816 0.3 1 1338 156 156 LYS N N 118.647 0.3 1 1339 157 157 CYS H H 8.675 0.02 1 1340 157 157 CYS HA H 4.679 0.02 1 1341 157 157 CYS HB2 H 3.005 0.02 1 1342 157 157 CYS HB3 H 3.005 0.02 1 1343 157 157 CYS HG H 2.366 0.02 1 1344 157 157 CYS N N 114.800 0.3 1 1345 158 158 LYS H H 8.720 0.02 1 1346 158 158 LYS HA H 4.638 0.02 1 1347 158 158 LYS N N 119.772 0.3 1 1348 159 159 VAL H H 9.323 0.02 1 1349 159 159 VAL HA H 4.585 0.02 1 1350 159 159 VAL HB H 1.663 0.02 1 1351 159 159 VAL HG1 H 0.659 0.02 2 1352 159 159 VAL HG2 H 0.571 0.02 2 1353 159 159 VAL CA C 59.438 0.3 1 1354 159 159 VAL CB C 33.832 0.3 1 1355 159 159 VAL CG1 C 19.006 0.3 2 1356 159 159 VAL CG2 C 23.064 0.3 2 1357 159 159 VAL N N 121.477 0.3 1 1358 160 160 ALA H H 8.706 0.02 1 1359 160 160 ALA HA H 4.660 0.02 1 1360 160 160 ALA HB H 0.660 0.02 1 1361 160 160 ALA CA C 50.544 0.3 1 1362 160 160 ALA CB C 22.649 0.3 1 1363 160 160 ALA N N 124.142 0.3 1 1364 161 161 ASN H H 8.448 0.02 1 1365 161 161 ASN HB2 H 2.919 0.02 1 1366 161 161 ASN HB3 H 2.919 0.02 1 1367 161 161 ASN HD21 H 6.576 0.02 1 1368 161 161 ASN HD22 H 6.293 0.02 1 1369 161 161 ASN N N 116.719 0.3 1 1370 161 161 ASN ND2 N 109.827 0.3 1 1371 162 162 ILE HA H 4.216 0.02 1 1372 162 162 ILE HB H 1.868 0.02 1 1373 162 162 ILE HG2 H 0.616 0.02 1 1374 162 162 ILE HD1 H 0.465 0.02 1 1375 162 162 ILE CG2 C 18.668 0.3 1 1376 162 162 ILE CD1 C 12.870 0.3 1 1377 165 165 GLU H H 8.768 0.02 1 1378 165 165 GLU HA H 4.204 0.02 1 1379 165 165 GLU HB2 H 1.981 0.02 2 1380 165 165 GLU HB3 H 1.975 0.02 2 1381 165 165 GLU HG2 H 2.187 0.02 1 1382 165 165 GLU HG3 H 2.187 0.02 1 1383 165 165 GLU N N 112.895 0.3 1 1384 166 166 THR H H 8.033 0.02 1 1385 166 166 THR HA H 3.998 0.02 1 1386 166 166 THR HG2 H 1.084 0.02 1 1387 166 166 THR CG2 C 22.373 0.3 1 1388 166 166 THR N N 119.761 0.3 1 1389 167 167 HIS H H 9.316 0.02 1 1390 167 167 HIS HA H 4.969 0.02 1 1391 167 167 HIS HB2 H 3.035 0.02 2 1392 167 167 HIS HB3 H 3.091 0.02 2 1393 167 167 HIS CA C 55.370 0.3 1 1394 167 167 HIS N N 128.576 0.3 1 1395 168 168 ILE H H 8.682 0.02 1 1396 168 168 ILE HA H 4.916 0.02 1 1397 168 168 ILE HB H 1.892 0.02 1 1398 168 168 ILE HG2 H 0.600 0.02 1 1399 168 168 ILE HD1 H 0.447 0.02 1 1400 168 168 ILE CB C 38.832 0.3 1 1401 168 168 ILE CG2 C 15.362 0.3 1 1402 168 168 ILE CD1 C 13.381 0.3 1 1403 168 168 ILE N N 126.296 0.3 1 1404 169 169 VAL H H 8.367 0.02 1 1405 169 169 VAL HA H 4.758 0.02 1 1406 169 169 VAL HG1 H 0.696 0.02 2 1407 169 169 VAL HG2 H 0.909 0.02 2 1408 169 169 VAL CB C 35.516 0.3 1 1409 169 169 VAL CG1 C 21.789 0.3 2 1410 169 169 VAL CG2 C 21.577 0.3 2 1411 169 169 VAL N N 126.375 0.3 1 1412 170 170 TRP H H 8.989 0.02 1 1413 170 170 TRP HB2 H 3.084 0.02 2 1414 170 170 TRP HB3 H 3.047 0.02 2 1415 170 170 TRP HD1 H 7.023 0.02 1 1416 170 170 TRP HE1 H 10.215 0.02 1 1417 170 170 TRP HE3 H 7.610 0.02 1 1418 170 170 TRP HZ2 H 7.367 0.02 1 1419 170 170 TRP HZ3 H 6.982 0.02 1 1420 170 170 TRP HH2 H 7.127 0.02 1 1421 170 170 TRP CD1 C 126.496 0.3 1 1422 170 170 TRP CZ2 C 114.368 0.3 1 1423 170 170 TRP CH2 C 124.111 0.3 1 1424 170 170 TRP N N 125.595 0.3 1 1425 170 170 TRP NE1 N 129.402 0.3 1 1426 171 171 TYR H H 10.072 0.02 1 1427 171 171 TYR HA H 5.334 0.02 1 1428 171 171 TYR HB2 H 2.923 0.02 2 1429 171 171 TYR HB3 H 2.529 0.02 2 1430 171 171 TYR HD1 H 6.731 0.02 1 1431 171 171 TYR HD2 H 6.731 0.02 1 1432 171 171 TYR HE1 H 6.721 0.02 1 1433 171 171 TYR HE2 H 6.721 0.02 1 1434 171 171 TYR CB C 43.620 0.3 1 1435 171 171 TYR CD1 C 132.540 0.3 1 1436 171 171 TYR CD2 C 132.540 0.3 1 1437 171 171 TYR CE1 C 118.939 0.3 1 1438 171 171 TYR CE2 C 118.939 0.3 1 1439 171 171 TYR N N 120.619 0.3 1 1440 172 172 LYS H H 8.894 0.02 1 1441 172 172 LYS HA H 4.677 0.02 1 1442 172 172 LYS HB2 H 1.934 0.02 1 1443 172 172 LYS HB3 H 1.934 0.02 1 1444 172 172 LYS HG2 H 1.388 0.02 1 1445 172 172 LYS HG3 H 1.388 0.02 1 1446 172 172 LYS HD2 H 1.550 0.02 1 1447 172 172 LYS HD3 H 1.550 0.02 1 1448 172 172 LYS HZ H 7.522 0.02 1 1449 172 172 LYS CG C 24.739 0.3 1 1450 172 172 LYS N N 119.957 0.3 1 1451 173 173 ASP H H 9.891 0.02 1 1452 173 173 ASP HA H 4.378 0.02 1 1453 173 173 ASP HB2 H 2.851 0.02 2 1454 173 173 ASP HB3 H 2.677 0.02 2 1455 173 173 ASP N N 130.593 0.3 1 1456 174 174 GLU H H 9.099 0.02 1 1457 174 174 GLU HA H 3.633 0.02 1 1458 174 174 GLU HB2 H 2.164 0.02 1 1459 174 174 GLU HB3 H 2.164 0.02 1 1460 174 174 GLU CA C 58.145 0.3 1 1461 174 174 GLU N N 107.850 0.3 1 1462 175 175 ARG H H 8.206 0.02 1 1463 175 175 ARG HA H 4.792 0.02 1 1464 175 175 ARG HB2 H 1.912 0.02 2 1465 175 175 ARG HB3 H 1.750 0.02 2 1466 175 175 ARG HG2 H 1.641 0.02 1 1467 175 175 ARG HG3 H 1.641 0.02 1 1468 175 175 ARG HE H 7.183 0.02 1 1469 175 175 ARG HH21 H 6.807 0.02 1 1470 175 175 ARG CG C 27.296 0.3 1 1471 175 175 ARG N N 121.709 0.3 1 1472 176 176 GLU H H 9.011 0.02 1 1473 176 176 GLU HA H 3.789 0.02 1 1474 176 176 GLU N N 126.877 0.3 1 1475 177 177 ILE H H 9.160 0.02 1 1476 177 177 ILE HA H 4.655 0.02 1 1477 177 177 ILE HB H 1.948 0.02 1 1478 177 177 ILE HG12 H 1.530 0.02 1 1479 177 177 ILE HG13 H 1.530 0.02 1 1480 177 177 ILE HG2 H 0.974 0.02 1 1481 177 177 ILE HD1 H 1.001 0.02 1 1482 177 177 ILE CB C 40.740 0.3 1 1483 177 177 ILE CG1 C 26.483 0.3 1 1484 177 177 ILE CG2 C 18.070 0.3 1 1485 177 177 ILE CD1 C 14.397 0.3 1 1486 177 177 ILE N N 121.210 0.3 1 1487 179 179 VAL H H 8.384 0.02 1 1488 179 179 VAL HB H 2.068 0.02 1 1489 179 179 VAL HG1 H 0.965 0.02 2 1490 179 179 VAL HG2 H 0.966 0.02 2 1491 179 179 VAL CB C 34.179 0.3 1 1492 179 179 VAL CG1 C 21.198 0.3 2 1493 179 179 VAL CG2 C 21.196 0.3 2 1494 179 179 VAL N N 125.871 0.3 1 1495 180 180 ASP H H 8.759 0.02 1 1496 180 180 ASP N N 127.028 0.3 1 1497 181 181 GLU H H 8.755 0.02 1 1498 181 181 GLU N N 124.598 0.3 1 1499 182 182 LYS H H 8.311 0.02 1 1500 182 182 LYS HB2 H 1.784 0.02 1 1501 182 182 LYS HB3 H 1.784 0.02 1 1502 182 182 LYS HG2 H 1.457 0.02 1 1503 182 182 LYS HG3 H 1.457 0.02 1 1504 182 182 LYS CG C 24.675 0.3 1 1505 182 182 LYS N N 120.610 0.3 1 1506 188 188 GLY H H 8.188 0.02 1 1507 188 188 GLY N N 105.612 0.3 1 1508 189 189 ILE H H 7.874 0.02 1 1509 189 189 ILE HB H 1.928 0.02 1 1510 189 189 ILE HG12 H 1.540 0.02 2 1511 189 189 ILE HG13 H 1.152 0.02 2 1512 189 189 ILE HG2 H 0.883 0.02 1 1513 189 189 ILE HD1 H 0.791 0.02 1 1514 189 189 ILE CA C 61.100 0.3 1 1515 189 189 ILE CB C 37.602 0.3 1 1516 189 189 ILE CG1 C 27.519 0.3 1 1517 189 189 ILE CG2 C 17.438 0.3 1 1518 189 189 ILE CD1 C 12.049 0.3 1 1519 189 189 ILE N N 120.706 0.3 1 1520 190 190 CYS HA H 4.576 0.02 1 1521 191 191 THR H H 8.523 0.02 1 1522 191 191 THR HA H 5.821 0.02 1 1523 191 191 THR HB H 4.221 0.02 1 1524 191 191 THR HG2 H 1.163 0.02 1 1525 191 191 THR CA C 59.046 0.3 1 1526 191 191 THR CB C 73.864 0.3 1 1527 191 191 THR CG2 C 21.889 0.3 1 1528 191 191 THR N N 114.492 0.3 1 1529 192 192 LEU H H 8.292 0.02 1 1530 192 192 LEU HA H 3.912 0.02 1 1531 192 192 LEU HB2 H 1.710 0.02 1 1532 192 192 LEU HB3 H 1.710 0.02 1 1533 192 192 LEU HG H 0.883 0.02 1 1534 192 192 LEU HD1 H 0.394 0.02 2 1535 192 192 LEU HD2 H 0.283 0.02 2 1536 192 192 LEU CA C 54.923 0.3 1 1537 192 192 LEU CG C 27.111 0.3 1 1538 192 192 LEU CD1 C 25.706 0.3 2 1539 192 192 LEU CD2 C 23.467 0.3 2 1540 192 192 LEU N N 121.998 0.3 1 1541 193 193 LEU H H 8.263 0.02 1 1542 193 193 LEU HA H 4.825 0.02 1 1543 193 193 LEU HG H 1.231 0.02 1 1544 193 193 LEU HD1 H 0.750 0.02 2 1545 193 193 LEU HD2 H 0.774 0.02 2 1546 193 193 LEU CB C 43.749 0.3 1 1547 193 193 LEU CG C 27.032 0.3 1 1548 193 193 LEU CD1 C 23.475 0.3 2 1549 193 193 LEU CD2 C 26.035 0.3 2 1550 193 193 LEU N N 128.649 0.3 1 1551 194 194 ILE H H 9.646 0.02 1 1552 194 194 ILE HA H 4.241 0.02 1 1553 194 194 ILE HB H 2.011 0.02 1 1554 194 194 ILE HG12 H 0.928 0.02 2 1555 194 194 ILE HG13 H 1.333 0.02 2 1556 194 194 ILE HG2 H 0.883 0.02 1 1557 194 194 ILE HD1 H 0.630 0.02 1 1558 194 194 ILE CA C 60.479 0.3 1 1559 194 194 ILE CB C 38.410 0.3 1 1560 194 194 ILE CG1 C 26.255 0.3 1 1561 194 194 ILE CG2 C 18.529 0.3 1 1562 194 194 ILE CD1 C 13.232 0.3 1 1563 194 194 ILE N N 130.673 0.3 1 1564 195 195 THR H H 8.234 0.02 1 1565 195 195 THR HA H 4.442 0.02 1 1566 195 195 THR HB H 4.090 0.02 1 1567 195 195 THR HG2 H 1.114 0.02 1 1568 195 195 THR CA C 61.064 0.3 1 1569 195 195 THR CB C 69.638 0.3 1 1570 195 195 THR CG2 C 22.005 0.3 1 1571 195 195 THR N N 120.028 0.3 1 1572 196 196 GLU H H 8.704 0.02 1 1573 196 196 GLU HA H 3.846 0.02 1 1574 196 196 GLU HB2 H 2.022 0.02 2 1575 196 196 GLU HB3 H 2.191 0.02 2 1576 196 196 GLU CA C 56.469 0.3 1 1577 196 196 GLU CB C 27.211 0.3 1 1578 196 196 GLU N N 121.121 0.3 1 1579 197 197 PHE H H 7.903 0.02 1 1580 197 197 PHE HA H 4.084 0.02 1 1581 197 197 PHE HB2 H 3.069 0.02 2 1582 197 197 PHE HB3 H 2.845 0.02 2 1583 197 197 PHE HD1 H 6.772 0.02 1 1584 197 197 PHE HD2 H 6.772 0.02 1 1585 197 197 PHE HE1 H 7.354 0.02 1 1586 197 197 PHE HE2 H 7.354 0.02 1 1587 197 197 PHE HZ H 7.341 0.02 1 1588 197 197 PHE CA C 59.446 0.3 1 1589 197 197 PHE CE1 C 131.649 0.3 1 1590 197 197 PHE CE2 C 131.649 0.3 1 1591 197 197 PHE N N 120.213 0.3 1 1592 198 198 SER H H 9.050 0.02 1 1593 198 198 SER HA H 4.747 0.02 1 1594 198 198 SER HB2 H 3.857 0.02 1 1595 198 198 SER HB3 H 3.857 0.02 1 1596 198 198 SER CB C 66.004 0.3 1 1597 198 198 SER N N 125.595 0.3 1 1598 199 199 LYS H H 8.456 0.02 1 1599 199 199 LYS HA H 3.855 0.02 1 1600 199 199 LYS HB2 H 1.798 0.02 2 1601 199 199 LYS HB3 H 1.826 0.02 2 1602 199 199 LYS HG2 H 1.484 0.02 1 1603 199 199 LYS HG3 H 1.484 0.02 1 1604 199 199 LYS CA C 59.926 0.3 1 1605 199 199 LYS N N 120.279 0.3 1 1606 200 200 LYS H H 7.795 0.02 1 1607 200 200 LYS HA H 4.109 0.02 1 1608 200 200 LYS CA C 58.241 0.3 1 1609 200 200 LYS N N 116.762 0.3 1 1610 201 201 ASP H H 7.864 0.02 1 1611 201 201 ASP HA H 4.415 0.02 1 1612 201 201 ASP HB2 H 2.968 0.02 1 1613 201 201 ASP HB3 H 2.968 0.02 1 1614 201 201 ASP N N 117.365 0.3 1 1615 202 202 ALA H H 7.327 0.02 1 1616 202 202 ALA HA H 4.420 0.02 1 1617 202 202 ALA HB H 1.552 0.02 1 1618 202 202 ALA CA C 52.924 0.3 1 1619 202 202 ALA CB C 19.242 0.3 1 1620 202 202 ALA N N 124.121 0.3 1 1621 203 203 GLY H H 8.507 0.02 1 1622 203 203 GLY HA2 H 3.845 0.02 1 1623 203 203 GLY HA3 H 3.845 0.02 1 1624 203 203 GLY N N 108.964 0.3 1 1625 204 204 PHE H H 9.046 0.02 1 1626 204 204 PHE HA H 5.120 0.02 1 1627 204 204 PHE HB2 H 2.820 0.02 2 1628 204 204 PHE HB3 H 3.020 0.02 2 1629 204 204 PHE HD1 H 7.181 0.02 1 1630 204 204 PHE HD2 H 7.181 0.02 1 1631 204 204 PHE HE1 H 7.351 0.02 1 1632 204 204 PHE HE2 H 7.351 0.02 1 1633 204 204 PHE CA C 57.713 0.3 1 1634 204 204 PHE CD1 C 131.452 0.3 1 1635 204 204 PHE CD2 C 131.452 0.3 1 1636 204 204 PHE CE1 C 131.484 0.3 1 1637 204 204 PHE CE2 C 131.484 0.3 1 1638 204 204 PHE N N 120.096 0.3 1 1639 205 205 TYR H H 9.475 0.02 1 1640 205 205 TYR HA H 5.539 0.02 1 1641 205 205 TYR HD1 H 7.109 0.02 1 1642 205 205 TYR HD2 H 7.109 0.02 1 1643 205 205 TYR HE1 H 6.823 0.02 1 1644 205 205 TYR HE2 H 6.823 0.02 1 1645 205 205 TYR HH H -0.788 0.02 1 1646 205 205 TYR CA C 57.242 0.3 1 1647 205 205 TYR N N 126.174 0.3 1 1648 206 206 GLU H H 9.200 0.02 1 1649 206 206 GLU HA H 5.555 0.02 1 1650 206 206 GLU HB2 H 2.183 0.02 2 1651 206 206 GLU HB3 H 2.193 0.02 2 1652 206 206 GLU HG2 H 2.510 0.02 1 1653 206 206 GLU HG3 H 2.510 0.02 1 1654 206 206 GLU CA C 54.322 0.3 1 1655 206 206 GLU N N 121.075 0.3 1 1656 207 207 VAL H H 8.563 0.02 1 1657 207 207 VAL HA H 5.270 0.02 1 1658 207 207 VAL HG1 H 0.440 0.02 2 1659 207 207 VAL HG2 H -0.262 0.02 2 1660 207 207 VAL CA C 59.428 0.3 1 1661 207 207 VAL CB C 34.221 0.3 1 1662 207 207 VAL CG1 C 20.016 0.3 2 1663 207 207 VAL CG2 C 20.568 0.3 2 1664 207 207 VAL N N 122.907 0.3 1 1665 208 208 ILE H H 8.872 0.02 1 1666 208 208 ILE HA H 5.097 0.02 1 1667 208 208 ILE HB H 1.920 0.02 1 1668 208 208 ILE HG12 H 1.674 0.02 2 1669 208 208 ILE HG13 H 1.168 0.02 2 1670 208 208 ILE HG2 H 0.968 0.02 1 1671 208 208 ILE HD1 H 0.764 0.02 1 1672 208 208 ILE CB C 41.379 0.3 1 1673 208 208 ILE CG1 C 28.248 0.3 1 1674 208 208 ILE CG2 C 17.827 0.3 1 1675 208 208 ILE CD1 C 13.392 0.3 1 1676 208 208 ILE N N 125.175 0.3 1 1677 209 209 LEU H H 8.442 0.02 1 1678 209 209 LEU HA H 5.321 0.02 1 1679 209 209 LEU HB2 H 1.707 0.02 1 1680 209 209 LEU HB3 H 1.707 0.02 1 1681 209 209 LEU HG H 1.118 0.02 1 1682 209 209 LEU HD1 H -0.459 0.02 2 1683 209 209 LEU HD2 H 0.383 0.02 2 1684 209 209 LEU CD1 C 24.325 0.3 2 1685 209 209 LEU CD2 C 24.291 0.3 2 1686 209 209 LEU N N 124.036 0.3 1 1687 210 210 LYS H H 8.715 0.02 1 1688 210 210 LYS HA H 5.362 0.02 1 1689 210 210 LYS HB2 H 1.852 0.02 1 1690 210 210 LYS HB3 H 1.852 0.02 1 1691 210 210 LYS N N 118.618 0.3 1 1692 211 211 ASP H H 8.924 0.02 1 1693 211 211 ASP HA H 4.768 0.02 1 1694 211 211 ASP N N 121.635 0.3 1 1695 212 212 ASP H H 8.955 0.02 1 1696 212 212 ASP HA H 4.350 0.02 1 1697 212 212 ASP HB2 H 2.976 0.02 1 1698 212 212 ASP HB3 H 2.976 0.02 1 1699 212 212 ASP CB C 40.257 0.3 1 1700 212 212 ASP N N 117.089 0.3 1 1701 213 213 ARG H H 9.445 0.02 1 1702 213 213 ARG HA H 4.278 0.02 1 1703 213 213 ARG HB2 H 1.930 0.02 2 1704 213 213 ARG HB3 H 1.844 0.02 2 1705 213 213 ARG HG2 H 1.649 0.02 1 1706 213 213 ARG HG3 H 1.649 0.02 1 1707 213 213 ARG HD2 H 3.189 0.02 1 1708 213 213 ARG HD3 H 3.189 0.02 1 1709 213 213 ARG CA C 56.408 0.3 1 1710 213 213 ARG N N 118.310 0.3 1 1711 214 214 GLY H H 7.506 0.02 1 1712 214 214 GLY HA2 H 3.863 0.02 2 1713 214 214 GLY HA3 H 4.469 0.02 2 1714 214 214 GLY CA C 45.144 0.3 1 1715 214 214 GLY N N 104.708 0.3 1 1716 215 215 LYS H H 7.873 0.02 1 1717 215 215 LYS HA H 5.656 0.02 1 1718 215 215 LYS HB2 H 1.860 0.02 2 1719 215 215 LYS HB3 H 1.861 0.02 2 1720 215 215 LYS CA C 54.208 0.3 1 1721 215 215 LYS CB C 36.655 0.3 1 1722 215 215 LYS N N 116.830 0.3 1 1723 216 216 ASP H H 9.056 0.02 1 1724 216 216 ASP HA H 5.342 0.02 1 1725 216 216 ASP HB2 H 3.129 0.02 2 1726 216 216 ASP HB3 H 3.173 0.02 2 1727 216 216 ASP CA C 52.661 0.3 1 1728 216 216 ASP CB C 45.571 0.3 1 1729 216 216 ASP N N 121.716 0.3 1 1730 217 217 LYS H H 8.643 0.02 1 1731 217 217 LYS HA H 5.710 0.02 1 1732 217 217 LYS HB2 H 1.349 0.02 2 1733 217 217 LYS HB3 H 1.781 0.02 2 1734 217 217 LYS CA C 55.549 0.3 1 1735 217 217 LYS CB C 36.689 0.3 1 1736 217 217 LYS N N 120.147 0.3 1 1737 218 218 SER H H 8.391 0.02 1 1738 218 218 SER HA H 4.531 0.02 1 1739 218 218 SER HB2 H 3.897 0.02 1 1740 218 218 SER HB3 H 3.897 0.02 1 1741 218 218 SER HG H 5.549 0.02 1 1742 218 218 SER CA C 55.818 0.3 1 1743 218 218 SER CB C 64.137 0.3 1 1744 218 218 SER N N 116.234 0.3 1 1745 219 219 ARG H H 8.344 0.02 1 1746 219 219 ARG HA H 5.549 0.02 1 1747 219 219 ARG HB2 H 1.828 0.02 1 1748 219 219 ARG HB3 H 1.828 0.02 1 1749 219 219 ARG HG2 H 1.624 0.02 2 1750 219 219 ARG HG3 H 1.693 0.02 2 1751 219 219 ARG CA C 54.747 0.3 1 1752 219 219 ARG CG C 27.502 0.3 1 1753 219 219 ARG N N 126.715 0.3 1 1754 220 220 LEU H H 9.587 0.02 1 1755 220 220 LEU HA H 4.679 0.02 1 1756 220 220 LEU HB2 H 1.770 0.02 2 1757 220 220 LEU HB3 H 1.520 0.02 2 1758 220 220 LEU HG H 1.512 0.02 1 1759 220 220 LEU HD1 H 0.891 0.02 2 1760 220 220 LEU HD2 H 1.080 0.02 2 1761 220 220 LEU CA C 54.714 0.3 1 1762 220 220 LEU CB C 47.362 0.3 1 1763 220 220 LEU CG C 27.135 0.3 1 1764 220 220 LEU CD1 C 27.117 0.3 2 1765 220 220 LEU CD2 C 23.851 0.3 2 1766 220 220 LEU N N 126.272 0.3 1 1767 221 221 LYS H H 8.832 0.02 1 1768 221 221 LYS HB2 H 1.788 0.02 1 1769 221 221 LYS HB3 H 1.788 0.02 1 1770 221 221 LYS HE2 H 2.869 0.02 1 1771 221 221 LYS HE3 H 2.869 0.02 1 1772 221 221 LYS N N 128.019 0.3 1 1773 222 222 LEU H H 8.859 0.02 1 1774 222 222 LEU HA H 4.490 0.02 1 1775 222 222 LEU HB2 H 1.531 0.02 2 1776 222 222 LEU HB3 H 1.629 0.02 2 1777 222 222 LEU HG H 1.209 0.02 1 1778 222 222 LEU HD1 H 0.110 0.02 2 1779 222 222 LEU HD2 H 0.106 0.02 2 1780 222 222 LEU CA C 53.623 0.3 1 1781 222 222 LEU CB C 42.927 0.3 1 1782 222 222 LEU CG C 27.044 0.3 1 1783 222 222 LEU CD1 C 24.133 0.3 2 1784 222 222 LEU CD2 C 24.178 0.3 2 1785 222 222 LEU N N 130.844 0.3 1 1786 223 223 VAL H H 7.859 0.02 1 1787 223 223 VAL HA H 4.421 0.02 1 1788 223 223 VAL HB H 2.154 0.02 1 1789 223 223 VAL HG1 H 0.822 0.02 2 1790 223 223 VAL HG2 H 0.860 0.02 2 1791 223 223 VAL CA C 60.506 0.3 1 1792 223 223 VAL CB C 33.991 0.3 1 1793 223 223 VAL CG1 C 19.651 0.3 2 1794 223 223 VAL CG2 C 21.468 0.3 2 1795 223 223 VAL N N 118.930 0.3 1 1796 224 224 ASP H H 8.537 0.02 1 1797 224 224 ASP HA H 4.388 0.02 1 1798 224 224 ASP HB2 H 2.586 0.02 1 1799 224 224 ASP HB3 H 2.586 0.02 1 1800 224 224 ASP CA C 55.650 0.3 1 1801 224 224 ASP CB C 40.874 0.3 1 1802 224 224 ASP N N 121.660 0.3 1 1803 225 225 GLU H H 8.618 0.02 1 1804 225 225 GLU HA H 4.117 0.02 1 1805 225 225 GLU HB2 H 2.022 0.02 2 1806 225 225 GLU HB3 H 1.865 0.02 2 1807 225 225 GLU HG2 H 2.257 0.02 2 1808 225 225 GLU HG3 H 2.259 0.02 2 1809 225 225 GLU CA C 58.087 0.3 1 1810 225 225 GLU CB C 29.372 0.3 1 1811 225 225 GLU CG C 36.432 0.3 1 1812 225 225 GLU N N 119.911 0.3 1 1813 226 226 ALA H H 7.892 0.02 1 1814 226 226 ALA HA H 4.130 0.02 1 1815 226 226 ALA HB H 1.082 0.02 1 1816 226 226 ALA CA C 53.175 0.3 1 1817 226 226 ALA CB C 18.530 0.3 1 1818 226 226 ALA N N 121.882 0.3 1 1819 227 227 PHE H H 7.680 0.02 1 1820 227 227 PHE HA H 4.551 0.02 1 1821 227 227 PHE HB2 H 3.154 0.02 2 1822 227 227 PHE HB3 H 2.851 0.02 2 1823 227 227 PHE HD1 H 7.038 0.02 1 1824 227 227 PHE HD2 H 7.038 0.02 1 1825 227 227 PHE HE1 H 6.806 0.02 1 1826 227 227 PHE HE2 H 6.806 0.02 1 1827 227 227 PHE CA C 57.514 0.3 1 1828 227 227 PHE CB C 39.174 0.3 1 1829 227 227 PHE CE1 C 131.597 0.3 1 1830 227 227 PHE CE2 C 131.597 0.3 1 1831 227 227 PHE N N 116.437 0.3 1 1832 228 228 GLN H H 7.928 0.02 1 1833 228 228 GLN HA H 4.216 0.02 1 1834 228 228 GLN HB2 H 2.071 0.02 2 1835 228 228 GLN HB3 H 2.023 0.02 2 1836 228 228 GLN HG2 H 2.333 0.02 2 1837 228 228 GLN HG3 H 2.331 0.02 2 1838 228 228 GLN HE21 H 7.583 0.02 1 1839 228 228 GLN HE22 H 6.853 0.02 1 1840 228 228 GLN CA C 56.643 0.3 1 1841 228 228 GLN CB C 29.366 0.3 1 1842 228 228 GLN CG C 33.763 0.3 1 1843 228 228 GLN N N 120.173 0.3 1 1844 228 228 GLN NE2 N 112.354 0.3 1 1845 229 229 ASP H H 8.360 0.02 1 1846 229 229 ASP HA H 4.597 0.02 1 1847 229 229 ASP HB2 H 2.614 0.02 2 1848 229 229 ASP HB3 H 2.766 0.02 2 1849 229 229 ASP CA C 54.707 0.3 1 1850 229 229 ASP CB C 40.745 0.3 1 1851 229 229 ASP N N 119.811 0.3 1 1852 230 230 LEU H H 7.981 0.02 1 1853 230 230 LEU HA H 4.386 0.02 1 1854 230 230 LEU HB2 H 1.665 0.02 2 1855 230 230 LEU HB3 H 1.671 0.02 2 1856 230 230 LEU HG H 1.662 0.02 1 1857 230 230 LEU HD1 H 0.888 0.02 2 1858 230 230 LEU HD2 H 0.844 0.02 2 1859 230 230 LEU CA C 55.134 0.3 1 1860 230 230 LEU CB C 42.461 0.3 1 1861 230 230 LEU CG C 26.988 0.3 1 1862 230 230 LEU CD1 C 25.373 0.3 2 1863 230 230 LEU CD2 C 23.328 0.3 2 1864 230 230 LEU N N 121.232 0.3 1 1865 231 231 MET H H 7.774 0.02 1 1866 231 231 MET HA H 4.286 0.02 1 1867 231 231 MET HB2 H 2.108 0.02 2 1868 231 231 MET HB3 H 1.985 0.02 2 1869 231 231 MET HG2 H 2.511 0.02 2 1870 231 231 MET HG3 H 2.568 0.02 2 1871 231 231 MET HE H 2.056 0.02 1 1872 231 231 MET CA C 56.935 0.3 1 1873 231 231 MET CB C 33.920 0.3 1 1874 231 231 MET CG C 32.399 0.3 1 1875 231 231 MET CE C 16.969 0.3 1 1876 231 231 MET N N 125.345 0.3 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details 'Origin cns file D:/sk45m/Chemical_shifts/Combined.ppm' loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label HSQC stop_ loop_ _Sample_label $sample_new_1 stop_ _Sample_conditions_label $KPi _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Sk45 _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 4 4 MET HA H 4.332 0.02 1 2 5 5 GLU H H 8.338 0.02 1 3 5 5 GLU HA H 4.085 0.02 1 4 5 5 GLU HB2 H 2.075 0.02 2 5 5 5 GLU HB3 H 2.074 0.02 2 6 5 5 GLU HG2 H 2.317 0.02 1 7 5 5 GLU HG3 H 2.317 0.02 1 8 5 5 GLU N N 121.364 0.3 1 9 6 6 GLU H H 8.367 0.02 1 10 6 6 GLU HA H 4.065 0.02 1 11 6 6 GLU HB2 H 2.076 0.02 2 12 6 6 GLU HB3 H 2.075 0.02 2 13 6 6 GLU HG2 H 2.289 0.02 2 14 6 6 GLU HG3 H 2.325 0.02 2 15 6 6 GLU CA C 58.766 0.3 1 16 6 6 GLU CB C 29.429 0.3 1 17 6 6 GLU CG C 36.533 0.3 1 18 6 6 GLU N N 120.174 0.3 1 19 7 7 GLU H H 8.267 0.02 1 20 7 7 GLU HA H 4.202 0.02 1 21 7 7 GLU HB2 H 2.059 0.02 2 22 7 7 GLU HB3 H 2.044 0.02 2 23 7 7 GLU HG2 H 2.247 0.02 1 24 7 7 GLU HG3 H 2.247 0.02 1 25 7 7 GLU CA C 58.517 0.3 1 26 7 7 GLU CB C 29.331 0.3 1 27 7 7 GLU N N 120.958 0.3 1 28 8 8 MET H H 8.086 0.02 1 29 8 8 MET HA H 4.249 0.02 1 30 8 8 MET HB2 H 2.134 0.02 1 31 8 8 MET HB3 H 2.134 0.02 1 32 8 8 MET HG2 H 2.679 0.02 2 33 8 8 MET HG3 H 2.605 0.02 2 34 8 8 MET CA C 57.687 0.3 1 35 8 8 MET N N 118.800 0.3 1 36 9 9 LYS H H 7.947 0.02 1 37 9 9 LYS HA H 4.023 0.02 1 38 9 9 LYS HB2 H 1.882 0.02 1 39 9 9 LYS HB3 H 1.882 0.02 1 40 9 9 LYS HG2 H 1.421 0.02 1 41 9 9 LYS HG3 H 1.421 0.02 1 42 9 9 LYS HD2 H 1.589 0.02 2 43 9 9 LYS HD3 H 1.590 0.02 2 44 9 9 LYS HE2 H 2.952 0.02 1 45 9 9 LYS HE3 H 2.952 0.02 1 46 9 9 LYS CA C 59.067 0.3 1 47 9 9 LYS CB C 32.390 0.3 1 48 9 9 LYS N N 119.600 0.3 1 49 10 10 ARG H H 7.917 0.02 1 50 10 10 ARG HA H 4.090 0.02 1 51 10 10 ARG HB2 H 1.894 0.02 2 52 10 10 ARG HB3 H 1.910 0.02 2 53 10 10 ARG HD2 H 3.178 0.02 1 54 10 10 ARG HD3 H 3.178 0.02 1 55 10 10 ARG HH12 H 6.795 0.02 1 56 10 10 ARG CA C 58.791 0.3 1 57 10 10 ARG N N 120.769 0.3 1 58 11 11 LEU H H 8.049 0.02 1 59 11 11 LEU HA H 4.144 0.02 1 60 11 11 LEU HB2 H 1.795 0.02 2 61 11 11 LEU HB3 H 1.824 0.02 2 62 11 11 LEU HG H 1.572 0.02 1 63 11 11 LEU HD1 H 0.888 0.02 2 64 11 11 LEU HD2 H 0.900 0.02 2 65 11 11 LEU CB C 41.885 0.3 1 66 11 11 LEU CD1 C 23.046 0.3 2 67 11 11 LEU CD2 C 25.124 0.3 2 68 11 11 LEU N N 120.127 0.3 1 69 12 12 LEU H H 8.069 0.02 1 70 12 12 LEU HA H 4.197 0.02 1 71 12 12 LEU HB2 H 1.760 0.02 2 72 12 12 LEU HB3 H 1.761 0.02 2 73 12 12 LEU HD1 H 0.872 0.02 2 74 12 12 LEU HD2 H 0.877 0.02 2 75 12 12 LEU CA C 56.878 0.3 1 76 12 12 LEU CB C 41.998 0.3 1 77 12 12 LEU CD1 C 23.684 0.3 2 78 12 12 LEU CD2 C 24.664 0.3 2 79 12 12 LEU N N 120.991 0.3 1 80 13 13 ALA H H 7.793 0.02 1 81 13 13 ALA HA H 4.216 0.02 1 82 13 13 ALA HB H 1.463 0.02 1 83 13 13 ALA CA C 53.679 0.3 1 84 13 13 ALA CB C 18.269 0.3 1 85 13 13 ALA N N 122.118 0.3 1 86 14 14 LEU H H 7.829 0.02 1 87 14 14 LEU HA H 4.258 0.02 1 88 14 14 LEU HB2 H 1.615 0.02 2 89 14 14 LEU HB3 H 1.618 0.02 2 90 14 14 LEU HG H 1.605 0.02 1 91 14 14 LEU HD1 H 0.878 0.02 2 92 14 14 LEU HD2 H 0.901 0.02 2 93 14 14 LEU CA C 56.177 0.3 1 94 14 14 LEU CB C 42.418 0.3 1 95 14 14 LEU CG C 27.168 0.3 1 96 14 14 LEU CD1 C 23.272 0.3 2 97 14 14 LEU CD2 C 25.087 0.3 2 98 14 14 LEU N N 119.099 0.3 1 99 15 15 SER H H 7.983 0.02 1 100 15 15 SER HA H 4.401 0.02 1 101 15 15 SER HB2 H 3.973 0.02 2 102 15 15 SER HB3 H 3.969 0.02 2 103 15 15 SER CA C 59.241 0.3 1 104 15 15 SER CB C 63.594 0.3 1 105 15 15 SER N N 114.878 0.3 1 106 16 16 GLN H H 8.104 0.02 1 107 16 16 GLN HA H 4.294 0.02 1 108 16 16 GLN HB2 H 2.026 0.02 1 109 16 16 GLN HB3 H 2.026 0.02 1 110 16 16 GLN HE21 H 7.482 0.02 1 111 16 16 GLN HE22 H 6.851 0.02 1 112 16 16 GLN CA C 56.074 0.3 1 113 16 16 GLN N N 121.182 0.3 1 114 16 16 GLN NE2 N 112.374 0.3 1 115 17 17 GLU H H 8.126 0.02 1 116 17 17 GLU HA H 4.157 0.02 1 117 17 17 GLU CA C 56.811 0.3 1 118 17 17 GLU N N 120.565 0.3 1 119 18 18 HIS H H 8.162 0.02 1 120 18 18 HIS HD2 H 7.084 0.02 1 121 18 18 HIS CD2 C 120.250 0.3 1 122 18 18 HIS N N 119.794 0.3 1 123 19 19 LYS HA H 4.188 0.02 1 124 19 19 LYS HG2 H 1.576 0.02 1 125 19 19 LYS HG3 H 1.576 0.02 1 126 19 19 LYS HD2 H 1.597 0.02 2 127 19 19 LYS HD3 H 1.595 0.02 2 128 19 19 LYS CA C 56.033 0.3 1 129 19 19 LYS CD C 27.325 0.3 1 130 20 20 PHE H H 8.207 0.02 1 131 20 20 PHE HA H 4.921 0.02 1 132 20 20 PHE HB2 H 2.929 0.02 2 133 20 20 PHE HB3 H 3.276 0.02 2 134 20 20 PHE HD1 H 7.337 0.02 1 135 20 20 PHE HD2 H 7.337 0.02 1 136 20 20 PHE CA C 55.548 0.3 1 137 20 20 PHE CB C 38.876 0.3 1 138 20 20 PHE N N 121.294 0.3 1 139 21 21 PRO HA H 4.607 0.02 1 140 21 21 PRO HB2 H 2.371 0.02 2 141 21 21 PRO HB3 H 1.942 0.02 2 142 21 21 PRO HG2 H 1.967 0.02 2 143 21 21 PRO HG3 H 1.976 0.02 2 144 21 21 PRO HD2 H 3.646 0.02 2 145 21 21 PRO HD3 H 3.823 0.02 2 146 21 21 PRO CA C 63.054 0.3 1 147 21 21 PRO CB C 32.077 0.3 1 148 21 21 PRO CG C 27.331 0.3 1 149 21 21 PRO CD C 50.290 0.3 1 150 22 22 THR H H 8.274 0.02 1 151 22 22 THR HA H 5.215 0.02 1 152 22 22 THR HB H 4.170 0.02 1 153 22 22 THR HG2 H 1.256 0.02 1 154 22 22 THR CA C 60.164 0.3 1 155 22 22 THR CB C 71.419 0.3 1 156 22 22 THR CG2 C 21.541 0.3 1 157 22 22 THR N N 114.370 0.3 1 158 23 23 VAL H H 7.618 0.02 1 159 23 23 VAL HA H 4.625 0.02 1 160 23 23 VAL HB H 1.712 0.02 1 161 23 23 VAL HG1 H 0.899 0.02 2 162 23 23 VAL HG2 H 0.735 0.02 2 163 23 23 VAL CA C 60.065 0.3 1 164 23 23 VAL CB C 33.481 0.3 1 165 23 23 VAL CG1 C 20.524 0.3 2 166 23 23 VAL CG2 C 20.902 0.3 2 167 23 23 VAL N N 125.336 0.3 1 168 24 24 PRO HA H 4.500 0.02 1 169 24 24 PRO HB2 H 1.862 0.02 2 170 24 24 PRO HB3 H 2.291 0.02 2 171 24 24 PRO HG2 H 1.984 0.02 2 172 24 24 PRO HG3 H 1.931 0.02 2 173 24 24 PRO HD2 H 3.103 0.02 2 174 24 24 PRO HD3 H 3.394 0.02 2 175 24 24 PRO CA C 62.567 0.3 1 176 24 24 PRO CB C 31.997 0.3 1 177 24 24 PRO CD C 51.190 0.3 1 178 25 25 THR H H 8.689 0.02 1 179 25 25 THR HA H 4.251 0.02 1 180 25 25 THR HB H 4.002 0.02 1 181 25 25 THR HG1 H 5.117 0.02 1 182 25 25 THR HG2 H 0.928 0.02 1 183 25 25 THR CA C 61.535 0.3 1 184 25 25 THR CB C 69.690 0.3 1 185 25 25 THR CG2 C 22.712 0.3 1 186 25 25 THR N N 117.535 0.3 1 187 26 26 LYS H H 8.797 0.02 1 188 26 26 LYS HA H 4.398 0.02 1 189 26 26 LYS HB2 H 1.620 0.02 2 190 26 26 LYS HB3 H 1.371 0.02 2 191 26 26 LYS HG2 H 1.329 0.02 1 192 26 26 LYS HG3 H 1.329 0.02 1 193 26 26 LYS HD2 H 1.562 0.02 1 194 26 26 LYS HD3 H 1.562 0.02 1 195 26 26 LYS HE2 H 2.990 0.02 1 196 26 26 LYS HE3 H 2.990 0.02 1 197 26 26 LYS CA C 57.176 0.3 1 198 26 26 LYS CB C 33.931 0.3 1 199 26 26 LYS CD C 29.088 0.3 1 200 26 26 LYS N N 125.995 0.3 1 201 27 27 SER H H 8.156 0.02 1 202 27 27 SER HA H 4.548 0.02 1 203 27 27 SER HB2 H 3.672 0.02 2 204 27 27 SER HB3 H 3.666 0.02 2 205 27 27 SER CA C 57.838 0.3 1 206 27 27 SER CB C 64.238 0.3 1 207 27 27 SER N N 113.071 0.3 1 208 28 28 GLU H H 8.334 0.02 1 209 28 28 GLU HB2 H 2.144 0.02 2 210 28 28 GLU HB3 H 2.208 0.02 2 211 28 28 GLU N N 122.554 0.3 1 212 29 29 LEU H H 8.670 0.02 1 213 29 29 LEU HA H 3.723 0.02 1 214 29 29 LEU HG H 1.036 0.02 1 215 29 29 LEU HD1 H 0.322 0.02 2 216 29 29 LEU HD2 H -0.117 0.02 2 217 29 29 LEU CG C 26.140 0.3 1 218 29 29 LEU CD1 C 26.025 0.3 2 219 29 29 LEU CD2 C 23.305 0.3 2 220 29 29 LEU N N 122.554 0.3 1 221 30 30 ALA H H 8.619 0.02 1 222 30 30 ALA HA H 4.344 0.02 1 223 30 30 ALA HB H 1.170 0.02 1 224 30 30 ALA CA C 53.073 0.3 1 225 30 30 ALA CB C 19.451 0.3 1 226 30 30 ALA N N 129.047 0.3 1 227 31 31 VAL H H 8.025 0.02 1 228 31 31 VAL HA H 5.497 0.02 1 229 31 31 VAL HB H 1.188 0.02 1 230 31 31 VAL HG1 H -0.032 0.02 2 231 31 31 VAL HG2 H 0.570 0.02 2 232 31 31 VAL CA C 58.102 0.3 1 233 31 31 VAL CB C 35.195 0.3 1 234 31 31 VAL CG1 C 21.443 0.3 2 235 31 31 VAL CG2 C 20.283 0.3 2 236 31 31 VAL N N 115.547 0.3 1 237 32 32 GLU H H 9.003 0.02 1 238 32 32 GLU HA H 4.688 0.02 1 239 32 32 GLU HB2 H 2.076 0.02 2 240 32 32 GLU HB3 H 2.078 0.02 2 241 32 32 GLU N N 125.693 0.3 1 242 33 33 ILE H H 8.532 0.02 1 243 33 33 ILE HA H 4.155 0.02 1 244 33 33 ILE HB H 1.885 0.02 1 245 33 33 ILE HG12 H 1.209 0.02 2 246 33 33 ILE HG13 H 1.333 0.02 2 247 33 33 ILE HG2 H 0.963 0.02 1 248 33 33 ILE HD1 H 0.746 0.02 1 249 33 33 ILE CB C 36.844 0.3 1 250 33 33 ILE CG1 C 27.363 0.3 1 251 33 33 ILE CG2 C 18.309 0.3 1 252 33 33 ILE CD1 C 12.459 0.3 1 253 33 33 ILE N N 121.499 0.3 1 254 34 34 LEU H H 9.096 0.02 1 255 34 34 LEU HA H 4.583 0.02 1 256 34 34 LEU HB2 H 1.715 0.02 2 257 34 34 LEU HB3 H 1.665 0.02 2 258 34 34 LEU HG H 1.574 0.02 1 259 34 34 LEU HD1 H 0.751 0.02 2 260 34 34 LEU HD2 H 0.936 0.02 2 261 34 34 LEU CA C 53.550 0.3 1 262 34 34 LEU CB C 42.459 0.3 1 263 34 34 LEU CG C 27.604 0.3 1 264 34 34 LEU CD1 C 22.282 0.3 2 265 34 34 LEU CD2 C 26.130 0.3 2 266 34 34 LEU N N 129.014 0.3 1 267 35 35 GLU H H 8.085 0.02 1 268 35 35 GLU HA H 4.196 0.02 1 269 35 35 GLU HB2 H 1.885 0.02 2 270 35 35 GLU HB3 H 1.685 0.02 2 271 35 35 GLU HG2 H 2.247 0.02 2 272 35 35 GLU HG3 H 2.252 0.02 2 273 35 35 GLU CA C 58.713 0.3 1 274 35 35 GLU CB C 29.542 0.3 1 275 35 35 GLU CG C 36.167 0.3 1 276 35 35 GLU N N 118.434 0.3 1 277 36 36 LYS HA H 4.818 0.02 1 278 36 36 LYS HB2 H 1.896 0.02 1 279 36 36 LYS HB3 H 1.896 0.02 1 280 36 36 LYS HG2 H -0.308 0.02 2 281 36 36 LYS HG3 H 0.484 0.02 2 282 36 36 LYS HD2 H 0.770 0.02 1 283 36 36 LYS HD3 H 0.770 0.02 1 284 36 36 LYS HE2 H 2.271 0.02 2 285 36 36 LYS HE3 H 2.109 0.02 2 286 36 36 LYS CG C 24.529 0.3 1 287 36 36 LYS CD C 29.242 0.3 1 288 36 36 LYS CE C 41.428 0.3 1 289 37 37 GLY H H 8.323 0.02 1 290 37 37 GLY HA2 H 3.377 0.02 2 291 37 37 GLY HA3 H 4.225 0.02 2 292 37 37 GLY N N 107.019 0.3 1 293 38 38 GLN H H 7.401 0.02 1 294 38 38 GLN HA H 4.226 0.02 1 295 38 38 GLN HB2 H 2.153 0.02 2 296 38 38 GLN HB3 H 2.031 0.02 2 297 38 38 GLN HG2 H 2.331 0.02 1 298 38 38 GLN HG3 H 2.331 0.02 1 299 38 38 GLN HE21 H 7.564 0.02 1 300 38 38 GLN HE22 H 6.481 0.02 1 301 38 38 GLN N N 119.642 0.3 1 302 38 38 GLN NE2 N 112.095 0.3 1 303 39 39 VAL H H 8.748 0.02 1 304 39 39 VAL HA H 4.481 0.02 1 305 39 39 VAL HB H 1.925 0.02 1 306 39 39 VAL HG1 H 0.561 0.02 2 307 39 39 VAL HG2 H 0.766 0.02 2 308 39 39 VAL CA C 61.599 0.3 1 309 39 39 VAL CB C 33.805 0.3 1 310 39 39 VAL CG1 C 22.624 0.3 2 311 39 39 VAL CG2 C 20.601 0.3 2 312 39 39 VAL N N 122.743 0.3 1 313 40 40 ARG H H 8.912 0.02 1 314 40 40 ARG HA H 4.158 0.02 1 315 40 40 ARG HB2 H 1.787 0.02 2 316 40 40 ARG HB3 H 1.916 0.02 2 317 40 40 ARG HG2 H 1.704 0.02 2 318 40 40 ARG HG3 H 1.587 0.02 2 319 40 40 ARG HD2 H 3.068 0.02 2 320 40 40 ARG HD3 H 3.070 0.02 2 321 40 40 ARG HE H 7.424 0.02 1 322 40 40 ARG HH12 H 6.803 0.02 1 323 40 40 ARG CB C 31.279 0.3 1 324 40 40 ARG CG C 27.217 0.3 1 325 40 40 ARG CD C 43.507 0.3 1 326 40 40 ARG N N 126.922 0.3 1 327 41 41 PHE H H 9.710 0.02 1 328 41 41 PHE HA H 5.523 0.02 1 329 41 41 PHE HB2 H 3.153 0.02 2 330 41 41 PHE HB3 H 3.397 0.02 2 331 41 41 PHE HD1 H 6.808 0.02 1 332 41 41 PHE HD2 H 6.808 0.02 1 333 41 41 PHE HE1 H 7.149 0.02 1 334 41 41 PHE HE2 H 7.149 0.02 1 335 41 41 PHE CA C 55.643 0.3 1 336 41 41 PHE CD1 C 132.082 0.3 1 337 41 41 PHE CD2 C 132.082 0.3 1 338 41 41 PHE N N 128.291 0.3 1 339 42 42 TRP H H 9.518 0.02 1 340 42 42 TRP HA H 6.172 0.02 1 341 42 42 TRP HB2 H 3.056 0.02 1 342 42 42 TRP HB3 H 3.056 0.02 1 343 42 42 TRP HD1 H 6.744 0.02 1 344 42 42 TRP HE1 H 10.142 0.02 1 345 42 42 TRP HZ2 H 7.350 0.02 1 346 42 42 TRP HZ3 H 6.840 0.02 1 347 42 42 TRP HH2 H 7.051 0.02 1 348 42 42 TRP CA C 55.876 0.3 1 349 42 42 TRP CD1 C 125.074 0.3 1 350 42 42 TRP CZ2 C 114.690 0.3 1 351 42 42 TRP CH2 C 124.143 0.3 1 352 42 42 TRP N N 120.372 0.3 1 353 42 42 TRP NE1 N 129.862 0.3 1 354 43 43 MET H H 9.137 0.02 1 355 43 43 MET HA H 3.991 0.02 1 356 43 43 MET HB2 H 2.064 0.02 2 357 43 43 MET HB3 H 2.066 0.02 2 358 43 43 MET HG2 H 2.456 0.02 1 359 43 43 MET HG3 H 2.456 0.02 1 360 43 43 MET HE H 1.843 0.02 1 361 43 43 MET CE C 17.647 0.3 1 362 43 43 MET N N 116.443 0.3 1 363 44 44 GLN H H 8.437 0.02 1 364 44 44 GLN HA H 5.382 0.02 1 365 44 44 GLN HG2 H 2.312 0.02 2 366 44 44 GLN HG3 H 2.407 0.02 2 367 44 44 GLN HE21 H 7.904 0.02 1 368 44 44 GLN HE22 H 6.975 0.02 1 369 44 44 GLN CA C 54.807 0.3 1 370 44 44 GLN N N 119.685 0.3 1 371 44 44 GLN NE2 N 110.445 0.3 1 372 45 45 ALA H H 9.523 0.02 1 373 45 45 ALA HA H 4.125 0.02 1 374 45 45 ALA HB H 1.315 0.02 1 375 45 45 ALA CA C 51.017 0.3 1 376 45 45 ALA CB C 20.215 0.3 1 377 45 45 ALA N N 132.822 0.3 1 378 46 46 GLU H H 8.100 0.02 1 379 46 46 GLU HA H 3.957 0.02 1 380 46 46 GLU HB2 H 1.790 0.02 2 381 46 46 GLU HB3 H 1.934 0.02 2 382 46 46 GLU HG2 H 2.117 0.02 2 383 46 46 GLU HG3 H 2.166 0.02 2 384 46 46 GLU CA C 58.645 0.3 1 385 46 46 GLU CB C 30.538 0.3 1 386 46 46 GLU CG C 36.275 0.3 1 387 46 46 GLU N N 119.140 0.3 1 388 47 47 LYS H H 7.619 0.02 1 389 47 47 LYS HA H 4.130 0.02 1 390 47 47 LYS HB2 H 1.750 0.02 2 391 47 47 LYS HB3 H 1.747 0.02 2 392 47 47 LYS HG2 H 1.349 0.02 2 393 47 47 LYS HG3 H 1.327 0.02 2 394 47 47 LYS HD2 H 1.626 0.02 2 395 47 47 LYS HD3 H 1.657 0.02 2 396 47 47 LYS HE2 H 2.960 0.02 2 397 47 47 LYS HE3 H 2.997 0.02 2 398 47 47 LYS CA C 56.242 0.3 1 399 47 47 LYS CB C 34.153 0.3 1 400 47 47 LYS CG C 24.522 0.3 1 401 47 47 LYS CD C 29.028 0.3 1 402 47 47 LYS CE C 41.976 0.3 1 403 47 47 LYS N N 114.492 0.3 1 404 48 48 LEU H H 8.751 0.02 1 405 48 48 LEU HA H 4.582 0.02 1 406 48 48 LEU HB2 H 1.686 0.02 2 407 48 48 LEU HB3 H 1.298 0.02 2 408 48 48 LEU HG H 1.560 0.02 1 409 48 48 LEU HD1 H 0.743 0.02 2 410 48 48 LEU HD2 H 0.680 0.02 2 411 48 48 LEU CA C 53.471 0.3 1 412 48 48 LEU CB C 45.120 0.3 1 413 48 48 LEU CG C 26.411 0.3 1 414 48 48 LEU CD1 C 23.689 0.3 2 415 48 48 LEU CD2 C 26.058 0.3 2 416 48 48 LEU N N 124.308 0.3 1 417 49 49 SER H H 9.515 0.02 1 418 49 49 SER HB2 H 3.858 0.02 1 419 49 49 SER HB3 H 3.858 0.02 1 420 49 49 SER N N 120.366 0.3 1 421 50 50 SER H H 8.659 0.02 1 422 50 50 SER N N 117.376 0.3 1 423 51 51 ASN H H 8.343 0.02 1 424 51 51 ASN HA H 4.833 0.02 1 425 51 51 ASN HB2 H 2.916 0.02 2 426 51 51 ASN HB3 H 2.574 0.02 2 427 51 51 ASN HD21 H 7.613 0.02 1 428 51 51 ASN HD22 H 6.998 0.02 1 429 51 51 ASN N N 117.350 0.3 1 430 51 51 ASN ND2 N 114.225 0.3 1 431 52 52 ALA H H 7.321 0.02 1 432 52 52 ALA HA H 4.565 0.02 1 433 52 52 ALA HB H 1.322 0.02 1 434 52 52 ALA CA C 53.501 0.3 1 435 52 52 ALA CB C 19.543 0.3 1 436 52 52 ALA N N 123.908 0.3 1 437 53 53 LYS H H 9.229 0.02 1 438 53 53 LYS HA H 4.713 0.02 1 439 53 53 LYS HB2 H 1.843 0.02 2 440 53 53 LYS HB3 H 1.825 0.02 2 441 53 53 LYS HG2 H 1.461 0.02 1 442 53 53 LYS HG3 H 1.461 0.02 1 443 53 53 LYS HD2 H 1.664 0.02 2 444 53 53 LYS HD3 H 1.674 0.02 2 445 53 53 LYS CA C 54.552 0.3 1 446 53 53 LYS CB C 35.466 0.3 1 447 53 53 LYS N N 123.453 0.3 1 448 54 54 VAL H H 8.549 0.02 1 449 54 54 VAL HA H 4.903 0.02 1 450 54 54 VAL HB H 1.647 0.02 1 451 54 54 VAL HG1 H 0.693 0.02 2 452 54 54 VAL HG2 H 0.100 0.02 2 453 54 54 VAL CA C 60.343 0.3 1 454 54 54 VAL CB C 34.315 0.3 1 455 54 54 VAL CG1 C 21.599 0.3 2 456 54 54 VAL CG2 C 20.301 0.3 2 457 54 54 VAL N N 124.758 0.3 1 458 55 55 SER H H 9.022 0.02 1 459 55 55 SER HA H 4.886 0.02 1 460 55 55 SER HB2 H 3.528 0.02 2 461 55 55 SER HB3 H 3.532 0.02 2 462 55 55 SER CA C 56.967 0.3 1 463 55 55 SER CB C 64.922 0.3 1 464 55 55 SER N N 122.794 0.3 1 465 56 56 TYR H H 8.989 0.02 1 466 56 56 TYR HA H 4.587 0.02 1 467 56 56 TYR HB2 H 2.574 0.02 2 468 56 56 TYR HB3 H 2.221 0.02 2 469 56 56 TYR HD1 H 6.525 0.02 1 470 56 56 TYR HD2 H 6.525 0.02 1 471 56 56 TYR HE1 H 5.960 0.02 1 472 56 56 TYR HE2 H 5.960 0.02 1 473 56 56 TYR CB C 39.528 0.3 1 474 56 56 TYR CD1 C 133.894 0.3 1 475 56 56 TYR CD2 C 133.894 0.3 1 476 56 56 TYR CE1 C 117.540 0.3 1 477 56 56 TYR CE2 C 117.540 0.3 1 478 56 56 TYR N N 126.747 0.3 1 479 57 57 ILE H H 9.012 0.02 1 480 57 57 ILE HA H 4.497 0.02 1 481 57 57 ILE HB H 1.744 0.02 1 482 57 57 ILE HG12 H 1.135 0.02 2 483 57 57 ILE HG13 H 0.811 0.02 2 484 57 57 ILE HG2 H 0.528 0.02 1 485 57 57 ILE HD1 H 0.488 0.02 1 486 57 57 ILE CA C 59.474 0.3 1 487 57 57 ILE CB C 40.463 0.3 1 488 57 57 ILE CG1 C 27.046 0.3 1 489 57 57 ILE CG2 C 17.398 0.3 1 490 57 57 ILE CD1 C 12.217 0.3 1 491 57 57 ILE N N 123.442 0.3 1 492 58 58 PHE H H 8.797 0.02 1 493 58 58 PHE HA H 5.181 0.02 1 494 58 58 PHE HD1 H 6.064 0.02 1 495 58 58 PHE HD2 H 6.064 0.02 1 496 58 58 PHE HE1 H 6.758 0.02 1 497 58 58 PHE HE2 H 6.758 0.02 1 498 58 58 PHE HZ H 7.104 0.02 1 499 58 58 PHE CA C 54.515 0.3 1 500 58 58 PHE CD1 C 131.128 0.3 1 501 58 58 PHE CD2 C 131.128 0.3 1 502 58 58 PHE CE1 C 131.177 0.3 1 503 58 58 PHE CE2 C 131.177 0.3 1 504 58 58 PHE CZ C 131.121 0.3 1 505 58 58 PHE N N 126.530 0.3 1 506 59 59 ASN H H 8.810 0.02 1 507 59 59 ASN HA H 4.049 0.02 1 508 59 59 ASN HB2 H 2.634 0.02 2 509 59 59 ASN HB3 H 1.742 0.02 2 510 59 59 ASN HD21 H 7.061 0.02 1 511 59 59 ASN HD22 H 6.069 0.02 1 512 59 59 ASN CA C 53.132 0.3 1 513 59 59 ASN N N 129.345 0.3 1 514 59 59 ASN ND2 N 112.384 0.3 1 515 60 60 GLU H H 8.340 0.02 1 516 60 60 GLU HA H 3.381 0.02 1 517 60 60 GLU HB2 H 2.209 0.02 1 518 60 60 GLU HB3 H 2.209 0.02 1 519 60 60 GLU HG2 H 1.982 0.02 2 520 60 60 GLU HG3 H 1.962 0.02 2 521 60 60 GLU CB C 27.949 0.3 1 522 60 60 GLU CG C 36.957 0.3 1 523 60 60 GLU N N 106.718 0.3 1 524 61 61 LYS H H 7.761 0.02 1 525 61 61 LYS HA H 4.594 0.02 1 526 61 61 LYS HB2 H 1.846 0.02 2 527 61 61 LYS HB3 H 1.831 0.02 2 528 61 61 LYS HG2 H 1.457 0.02 2 529 61 61 LYS HG3 H 1.459 0.02 2 530 61 61 LYS HD2 H 1.718 0.02 2 531 61 61 LYS HD3 H 1.704 0.02 2 532 61 61 LYS HE2 H 3.076 0.02 2 533 61 61 LYS HE3 H 3.080 0.02 2 534 61 61 LYS CB C 34.801 0.3 1 535 61 61 LYS CG C 24.701 0.3 1 536 61 61 LYS CD C 29.066 0.3 1 537 61 61 LYS N N 121.993 0.3 1 538 62 62 GLU H H 8.457 0.02 1 539 62 62 GLU HA H 4.460 0.02 1 540 62 62 GLU HB2 H 1.739 0.02 1 541 62 62 GLU HB3 H 1.739 0.02 1 542 62 62 GLU HG2 H 2.321 0.02 2 543 62 62 GLU HG3 H 1.738 0.02 2 544 62 62 GLU CB C 28.772 0.3 1 545 62 62 GLU CG C 36.150 0.3 1 546 62 62 GLU N N 124.967 0.3 1 547 63 63 ILE H H 8.436 0.02 1 548 63 63 ILE HA H 4.432 0.02 1 549 63 63 ILE HB H 1.501 0.02 1 550 63 63 ILE HG12 H 0.439 0.02 2 551 63 63 ILE HG13 H 0.637 0.02 2 552 63 63 ILE HG2 H 0.896 0.02 1 553 63 63 ILE HD1 H -0.356 0.02 1 554 63 63 ILE CA C 59.830 0.3 1 555 63 63 ILE CB C 40.444 0.3 1 556 63 63 ILE CG2 C 18.863 0.3 1 557 63 63 ILE CD1 C 11.864 0.3 1 558 63 63 ILE N N 120.969 0.3 1 559 64 64 PHE H H 8.021 0.02 1 560 64 64 PHE HA H 4.893 0.02 1 561 64 64 PHE HB2 H 3.365 0.02 2 562 64 64 PHE HB3 H 2.638 0.02 2 563 64 64 PHE HD1 H 7.314 0.02 1 564 64 64 PHE HD2 H 7.314 0.02 1 565 64 64 PHE CD1 C 132.214 0.3 1 566 64 64 PHE CD2 C 132.214 0.3 1 567 64 64 PHE N N 114.638 0.3 1 568 65 65 GLU H H 8.600 0.02 1 569 65 65 GLU HA H 4.422 0.02 1 570 65 65 GLU HB2 H 2.030 0.02 1 571 65 65 GLU HB3 H 2.030 0.02 1 572 65 65 GLU HG2 H 2.457 0.02 1 573 65 65 GLU HG3 H 2.457 0.02 1 574 65 65 GLU CG C 36.071 0.3 1 575 65 65 GLU N N 123.079 0.3 1 576 66 66 GLY H H 9.066 0.02 1 577 66 66 GLY HA2 H 4.069 0.02 1 578 66 66 GLY HA3 H 4.069 0.02 1 579 66 66 GLY N N 117.458 0.3 1 580 67 67 PRO HA H 4.371 0.02 1 581 67 67 PRO HB2 H 2.367 0.02 1 582 67 67 PRO HB3 H 2.367 0.02 1 583 67 67 PRO HG2 H 1.983 0.02 1 584 67 67 PRO HG3 H 1.983 0.02 1 585 67 67 PRO HD2 H 3.717 0.02 1 586 67 67 PRO HD3 H 3.717 0.02 1 587 67 67 PRO CA C 64.102 0.3 1 588 68 68 LYS H H 7.684 0.02 1 589 68 68 LYS HA H 4.217 0.02 1 590 68 68 LYS HB2 H 1.068 0.02 1 591 68 68 LYS HB3 H 1.068 0.02 1 592 68 68 LYS HG2 H 0.192 0.02 2 593 68 68 LYS HG3 H 0.953 0.02 2 594 68 68 LYS HD2 H 1.363 0.02 2 595 68 68 LYS HD3 H 1.299 0.02 2 596 68 68 LYS HE2 H 2.831 0.02 2 597 68 68 LYS HE3 H 2.677 0.02 2 598 68 68 LYS HZ H 7.130 0.02 1 599 68 68 LYS CA C 57.790 0.3 1 600 68 68 LYS CD C 29.170 0.3 1 601 68 68 LYS CE C 41.807 0.3 1 602 68 68 LYS N N 117.895 0.3 1 603 69 69 TYR H H 7.831 0.02 1 604 69 69 TYR HA H 5.241 0.02 1 605 69 69 TYR HB2 H 2.926 0.02 2 606 69 69 TYR HB3 H 2.499 0.02 2 607 69 69 TYR HD1 H 7.145 0.02 1 608 69 69 TYR HD2 H 7.145 0.02 1 609 69 69 TYR HE1 H 6.892 0.02 1 610 69 69 TYR HE2 H 6.892 0.02 1 611 69 69 TYR CA C 55.885 0.3 1 612 69 69 TYR CD1 C 135.130 0.3 1 613 69 69 TYR CD2 C 135.130 0.3 1 614 69 69 TYR CE1 C 119.250 0.3 1 615 69 69 TYR CE2 C 119.250 0.3 1 616 69 69 TYR N N 118.256 0.3 1 617 70 70 LYS H H 8.267 0.02 1 618 70 70 LYS HA H 4.836 0.02 1 619 70 70 LYS HB2 H 1.974 0.02 2 620 70 70 LYS HB3 H 1.820 0.02 2 621 70 70 LYS HG2 H 1.499 0.02 1 622 70 70 LYS HG3 H 1.499 0.02 1 623 70 70 LYS HE2 H 2.934 0.02 1 624 70 70 LYS HE3 H 2.934 0.02 1 625 70 70 LYS CB C 35.328 0.3 1 626 70 70 LYS CG C 24.752 0.3 1 627 70 70 LYS N N 119.520 0.3 1 628 71 71 MET H H 8.792 0.02 1 629 71 71 MET HA H 5.120 0.02 1 630 71 71 MET HB2 H 2.225 0.02 2 631 71 71 MET HB3 H 1.510 0.02 2 632 71 71 MET HG2 H 2.635 0.02 2 633 71 71 MET HG3 H 2.632 0.02 2 634 71 71 MET HE H 1.056 0.02 1 635 71 71 MET CA C 56.717 0.3 1 636 71 71 MET CE C 19.607 0.3 1 637 71 71 MET N N 124.862 0.3 1 638 72 72 HIS H H 8.730 0.02 1 639 72 72 HIS HA H 4.875 0.02 1 640 72 72 HIS HB2 H 3.282 0.02 2 641 72 72 HIS HB3 H 3.300 0.02 2 642 72 72 HIS HD2 H 7.160 0.02 1 643 72 72 HIS CD2 C 123.610 0.3 1 644 72 72 HIS N N 119.021 0.3 1 645 73 73 ILE H H 8.050 0.02 1 646 73 73 ILE HA H 4.548 0.02 1 647 73 73 ILE HB H 1.620 0.02 1 648 73 73 ILE HG12 H 1.640 0.02 2 649 73 73 ILE HG13 H 1.649 0.02 2 650 73 73 ILE HG2 H 0.696 0.02 1 651 73 73 ILE HD1 H 0.868 0.02 1 652 73 73 ILE CB C 41.783 0.3 1 653 73 73 ILE CG1 C 28.048 0.3 1 654 73 73 ILE CG2 C 17.221 0.3 1 655 73 73 ILE CD1 C 14.858 0.3 1 656 73 73 ILE N N 125.394 0.3 1 657 74 74 ASP H H 8.619 0.02 1 658 74 74 ASP HB2 H 2.953 0.02 1 659 74 74 ASP HB3 H 2.953 0.02 1 660 74 74 ASP N N 126.231 0.3 1 661 75 75 ARG H H 8.955 0.02 1 662 75 75 ARG HA H 3.874 0.02 1 663 75 75 ARG HG2 H 1.664 0.02 1 664 75 75 ARG HG3 H 1.664 0.02 1 665 75 75 ARG HH21 H 6.750 0.02 1 666 75 75 ARG HH22 H 6.750 0.02 1 667 75 75 ARG CA C 58.681 0.3 1 668 75 75 ARG CG C 27.332 0.3 1 669 75 75 ARG N N 123.248 0.3 1 670 76 76 ASN H H 8.666 0.02 1 671 76 76 ASN HA H 4.650 0.02 1 672 76 76 ASN HB2 H 3.102 0.02 2 673 76 76 ASN HB3 H 2.913 0.02 2 674 76 76 ASN HD21 H 7.927 0.02 1 675 76 76 ASN HD22 H 7.035 0.02 1 676 76 76 ASN CB C 38.828 0.3 1 677 76 76 ASN N N 116.034 0.3 1 678 76 76 ASN ND2 N 114.876 0.3 1 679 77 77 THR H H 7.547 0.02 1 680 77 77 THR HA H 4.431 0.02 1 681 77 77 THR HB H 4.316 0.02 1 682 77 77 THR HG2 H 1.215 0.02 1 683 77 77 THR CA C 61.507 0.3 1 684 77 77 THR CB C 70.463 0.3 1 685 77 77 THR CG2 C 21.492 0.3 1 686 77 77 THR N N 106.734 0.3 1 687 78 78 GLY H H 8.274 0.02 1 688 78 78 GLY HA2 H 3.299 0.02 2 689 78 78 GLY HA3 H 4.641 0.02 2 690 78 78 GLY CA C 45.326 0.3 1 691 78 78 GLY N N 111.847 0.3 1 692 79 79 ILE H H 7.654 0.02 1 693 79 79 ILE HA H 4.652 0.02 1 694 79 79 ILE HB H 1.880 0.02 1 695 79 79 ILE HG12 H 1.160 0.02 2 696 79 79 ILE HG13 H 1.656 0.02 2 697 79 79 ILE HG2 H 0.927 0.02 1 698 79 79 ILE HD1 H 0.825 0.02 1 699 79 79 ILE CB C 37.408 0.3 1 700 79 79 ILE CG1 C 28.357 0.3 1 701 79 79 ILE CG2 C 16.960 0.3 1 702 79 79 ILE CD1 C 11.451 0.3 1 703 79 79 ILE N N 121.837 0.3 1 704 80 80 ILE H H 8.576 0.02 1 705 80 80 ILE HA H 4.559 0.02 1 706 80 80 ILE HB H 1.680 0.02 1 707 80 80 ILE HG12 H 1.517 0.02 1 708 80 80 ILE HG13 H 1.517 0.02 1 709 80 80 ILE HG2 H 0.872 0.02 1 710 80 80 ILE HD1 H 0.844 0.02 1 711 80 80 ILE CG1 C 27.173 0.3 1 712 80 80 ILE CG2 C 20.625 0.3 1 713 80 80 ILE CD1 C 15.287 0.3 1 714 80 80 ILE N N 130.393 0.3 1 715 81 81 GLU H H 9.311 0.02 1 716 81 81 GLU HA H 6.095 0.02 1 717 81 81 GLU HG2 H 2.404 0.02 2 718 81 81 GLU HG3 H 2.401 0.02 2 719 81 81 GLU CA C 54.306 0.3 1 720 81 81 GLU N N 122.888 0.3 1 721 82 82 MET H H 9.570 0.02 1 722 82 82 MET HA H 5.393 0.02 1 723 82 82 MET HB2 H 1.902 0.02 2 724 82 82 MET HB3 H 2.112 0.02 2 725 82 82 MET HG2 H 2.336 0.02 2 726 82 82 MET HG3 H 2.302 0.02 2 727 82 82 MET HE H 1.450 0.02 1 728 82 82 MET CE C 17.711 0.3 1 729 82 82 MET N N 122.545 0.3 1 730 83 83 PHE H H 9.969 0.02 1 731 83 83 PHE HA H 6.123 0.02 1 732 83 83 PHE HB2 H 2.851 0.02 2 733 83 83 PHE HB3 H 3.100 0.02 2 734 83 83 PHE HD1 H 7.033 0.02 1 735 83 83 PHE HD2 H 7.033 0.02 1 736 83 83 PHE HE1 H 6.832 0.02 1 737 83 83 PHE HE2 H 6.832 0.02 1 738 83 83 PHE CA C 56.062 0.3 1 739 83 83 PHE CD1 C 131.716 0.3 1 740 83 83 PHE CD2 C 131.716 0.3 1 741 83 83 PHE CE1 C 130.852 0.3 1 742 83 83 PHE CE2 C 130.852 0.3 1 743 83 83 PHE N N 123.583 0.3 1 744 84 84 MET H H 9.175 0.02 1 745 84 84 MET HA H 4.987 0.02 1 746 84 84 MET HB2 H 2.501 0.02 2 747 84 84 MET HB3 H 2.496 0.02 2 748 84 84 MET HG2 H 2.753 0.02 2 749 84 84 MET HG3 H 2.837 0.02 2 750 84 84 MET HE H 2.156 0.02 1 751 84 84 MET CA C 55.165 0.3 1 752 84 84 MET CE C 17.603 0.3 1 753 84 84 MET N N 118.861 0.3 1 754 85 85 GLU H H 9.132 0.02 1 755 85 85 GLU HA H 4.117 0.02 1 756 85 85 GLU HB2 H 2.051 0.02 2 757 85 85 GLU HB3 H 2.055 0.02 2 758 85 85 GLU HG2 H 2.222 0.02 2 759 85 85 GLU HG3 H 2.380 0.02 2 760 85 85 GLU CA C 57.929 0.3 1 761 85 85 GLU CB C 31.245 0.3 1 762 85 85 GLU CG C 36.454 0.3 1 763 85 85 GLU N N 121.114 0.3 1 764 86 86 LYS H H 7.411 0.02 1 765 86 86 LYS HA H 4.567 0.02 1 766 86 86 LYS HB2 H 1.784 0.02 2 767 86 86 LYS HB3 H 1.780 0.02 2 768 86 86 LYS HG2 H 1.245 0.02 2 769 86 86 LYS HG3 H 1.247 0.02 2 770 86 86 LYS HD2 H 1.591 0.02 2 771 86 86 LYS HD3 H 1.502 0.02 2 772 86 86 LYS HE2 H 2.851 0.02 2 773 86 86 LYS HE3 H 2.847 0.02 2 774 86 86 LYS CB C 35.457 0.3 1 775 86 86 LYS CG C 23.895 0.3 1 776 86 86 LYS CD C 29.762 0.3 1 777 86 86 LYS CE C 41.823 0.3 1 778 86 86 LYS N N 112.731 0.3 1 779 87 87 LEU H H 8.755 0.02 1 780 87 87 LEU HA H 4.914 0.02 1 781 87 87 LEU HB2 H 1.697 0.02 1 782 87 87 LEU HB3 H 1.697 0.02 1 783 87 87 LEU HD1 H 0.754 0.02 2 784 87 87 LEU HD2 H 0.737 0.02 2 785 87 87 LEU CD1 C 23.586 0.3 2 786 87 87 LEU CD2 C 25.946 0.3 2 787 87 87 LEU N N 122.593 0.3 1 788 88 88 GLN H H 10.044 0.02 1 789 88 88 GLN HA H 4.748 0.02 1 790 88 88 GLN HB2 H 1.904 0.02 1 791 88 88 GLN HB3 H 1.904 0.02 1 792 88 88 GLN HG2 H 2.361 0.02 2 793 88 88 GLN HG3 H 2.199 0.02 2 794 88 88 GLN HE21 H 7.836 0.02 1 795 88 88 GLN HE22 H 6.889 0.02 1 796 88 88 GLN N N 124.282 0.3 1 797 88 88 GLN NE2 N 112.290 0.3 1 798 89 89 ASP H H 9.626 0.02 1 799 89 89 ASP HB2 H 2.780 0.02 1 800 89 89 ASP HB3 H 2.780 0.02 1 801 89 89 ASP N N 128.099 0.3 1 802 90 90 GLU H H 9.118 0.02 1 803 90 90 GLU HA H 4.386 0.02 1 804 90 90 GLU HB2 H 2.168 0.02 2 805 90 90 GLU HB3 H 2.171 0.02 2 806 90 90 GLU HG2 H 2.168 0.02 1 807 90 90 GLU HG3 H 2.168 0.02 1 808 90 90 GLU CA C 57.569 0.3 1 809 90 90 GLU CG C 35.436 0.3 1 810 90 90 GLU N N 115.396 0.3 1 811 91 91 ASP H H 7.744 0.02 1 812 91 91 ASP HA H 4.770 0.02 1 813 91 91 ASP HB2 H 2.794 0.02 1 814 91 91 ASP HB3 H 2.794 0.02 1 815 91 91 ASP N N 119.472 0.3 1 816 92 92 GLU H H 6.711 0.02 1 817 92 92 GLU HA H 3.160 0.02 1 818 92 92 GLU HB2 H 1.394 0.02 2 819 92 92 GLU HB3 H 1.684 0.02 2 820 92 92 GLU HG2 H 2.116 0.02 2 821 92 92 GLU HG3 H 2.455 0.02 2 822 92 92 GLU CA C 56.819 0.3 1 823 92 92 GLU CG C 36.966 0.3 1 824 92 92 GLU N N 122.134 0.3 1 825 93 93 GLY H H 8.347 0.02 1 826 93 93 GLY HA2 H 3.628 0.02 2 827 93 93 GLY HA3 H 4.769 0.02 2 828 93 93 GLY N N 114.123 0.3 1 829 94 94 THR H H 8.075 0.02 1 830 94 94 THR HA H 4.870 0.02 1 831 94 94 THR HB H 3.853 0.02 1 832 94 94 THR HG2 H 1.042 0.02 1 833 94 94 THR CB C 69.932 0.3 1 834 94 94 THR CG2 C 22.165 0.3 1 835 94 94 THR N N 117.465 0.3 1 836 95 95 TYR H H 9.302 0.02 1 837 95 95 TYR HA H 5.227 0.02 1 838 95 95 TYR HB2 H 2.979 0.02 2 839 95 95 TYR HB3 H 2.523 0.02 2 840 95 95 TYR HD1 H 6.794 0.02 1 841 95 95 TYR HD2 H 6.794 0.02 1 842 95 95 TYR HE1 H 6.522 0.02 1 843 95 95 TYR HE2 H 6.522 0.02 1 844 95 95 TYR HH H 8.789 0.02 1 845 95 95 TYR CA C 57.520 0.3 1 846 95 95 TYR CD1 C 133.320 0.3 1 847 95 95 TYR CD2 C 133.320 0.3 1 848 95 95 TYR CE1 C 118.470 0.3 1 849 95 95 TYR CE2 C 118.470 0.3 1 850 95 95 TYR N N 130.202 0.3 1 851 96 96 THR H H 9.388 0.02 1 852 96 96 THR HA H 5.337 0.02 1 853 96 96 THR HB H 3.589 0.02 1 854 96 96 THR HG2 H 1.047 0.02 1 855 96 96 THR CA C 61.145 0.3 1 856 96 96 THR CB C 73.167 0.3 1 857 96 96 THR CG2 C 22.168 0.3 1 858 96 96 THR N N 119.019 0.3 1 859 97 97 PHE H H 8.800 0.02 1 860 97 97 PHE HA H 5.348 0.02 1 861 97 97 PHE HB2 H 2.549 0.02 2 862 97 97 PHE HB3 H 3.368 0.02 2 863 97 97 PHE HD1 H 7.058 0.02 1 864 97 97 PHE HD2 H 7.058 0.02 1 865 97 97 PHE HE1 H 7.174 0.02 1 866 97 97 PHE HE2 H 7.174 0.02 1 867 97 97 PHE CA C 53.171 0.3 1 868 97 97 PHE N N 126.217 0.3 1 869 98 98 GLN H H 9.034 0.02 1 870 98 98 GLN HA H 4.909 0.02 1 871 98 98 GLN HB2 H 2.069 0.02 2 872 98 98 GLN HB3 H 2.081 0.02 2 873 98 98 GLN HG2 H 2.099 0.02 1 874 98 98 GLN HG3 H 2.099 0.02 1 875 98 98 GLN HE21 H 7.098 0.02 1 876 98 98 GLN HE22 H 6.658 0.02 1 877 98 98 GLN CA C 54.235 0.3 1 878 98 98 GLN CB C 33.937 0.3 1 879 98 98 GLN CG C 33.896 0.3 1 880 98 98 GLN N N 122.743 0.3 1 881 98 98 GLN NE2 N 110.174 0.3 1 882 99 99 ILE H H 9.157 0.02 1 883 99 99 ILE HA H 4.677 0.02 1 884 99 99 ILE HB H 1.332 0.02 1 885 99 99 ILE HG12 H 1.358 0.02 2 886 99 99 ILE HG13 H 0.808 0.02 2 887 99 99 ILE HG2 H 0.722 0.02 1 888 99 99 ILE HD1 H 0.734 0.02 1 889 99 99 ILE CA C 60.588 0.3 1 890 99 99 ILE CB C 41.763 0.3 1 891 99 99 ILE CG1 C 28.394 0.3 1 892 99 99 ILE CG2 C 19.186 0.3 1 893 99 99 ILE CD1 C 14.942 0.3 1 894 99 99 ILE N N 125.063 0.3 1 895 100 100 GLN H H 8.978 0.02 1 896 100 100 GLN HA H 4.949 0.02 1 897 100 100 GLN HB2 H 1.913 0.02 2 898 100 100 GLN HB3 H 1.916 0.02 2 899 100 100 GLN HG2 H 2.322 0.02 2 900 100 100 GLN HG3 H 2.309 0.02 2 901 100 100 GLN HE21 H 7.502 0.02 1 902 100 100 GLN HE22 H 6.680 0.02 1 903 100 100 GLN CA C 54.578 0.3 1 904 100 100 GLN CB C 31.607 0.3 1 905 100 100 GLN CG C 33.497 0.3 1 906 100 100 GLN N N 127.709 0.3 1 907 100 100 GLN NE2 N 112.035 0.3 1 908 101 101 ASP H H 8.898 0.02 1 909 101 101 ASP HA H 4.838 0.02 1 910 101 101 ASP HB2 H 2.887 0.02 1 911 101 101 ASP HB3 H 2.887 0.02 1 912 101 101 ASP N N 126.545 0.3 1 913 102 102 GLY H H 9.038 0.02 1 914 102 102 GLY HA2 H 3.584 0.02 2 915 102 102 GLY HA3 H 4.064 0.02 2 916 102 102 GLY CA C 46.943 0.3 1 917 102 102 GLY N N 116.117 0.3 1 918 103 103 LYS H H 9.045 0.02 1 919 103 103 LYS HA H 4.194 0.02 1 920 103 103 LYS HB2 H 1.602 0.02 1 921 103 103 LYS HB3 H 1.602 0.02 1 922 103 103 LYS HG2 H 1.444 0.02 2 923 103 103 LYS HG3 H 1.220 0.02 2 924 103 103 LYS HE2 H 2.935 0.02 1 925 103 103 LYS HE3 H 2.935 0.02 1 926 103 103 LYS CA C 56.274 0.3 1 927 103 103 LYS CB C 33.171 0.3 1 928 103 103 LYS CG C 24.746 0.3 1 929 104 104 ALA H H 7.728 0.02 1 930 104 104 ALA HA H 4.588 0.02 1 931 104 104 ALA HB H 1.307 0.02 1 932 104 104 ALA CA C 51.499 0.3 1 933 104 104 ALA CB C 20.772 0.3 1 934 104 104 ALA N N 121.984 0.3 1 935 105 105 THR H H 7.932 0.02 1 936 105 105 THR HA H 5.342 0.02 1 937 105 105 THR HB H 4.143 0.02 1 938 105 105 THR HG2 H 1.147 0.02 1 939 105 105 THR CA C 59.649 0.3 1 940 105 105 THR CB C 72.246 0.3 1 941 105 105 THR CG2 C 21.691 0.3 1 942 105 105 THR N N 112.265 0.3 1 943 106 106 GLY H H 8.847 0.02 1 944 106 106 GLY HA2 H 4.646 0.02 2 945 106 106 GLY HA3 H 3.935 0.02 2 946 106 106 GLY N N 110.626 0.3 1 947 107 107 HIS H H 8.425 0.02 1 948 107 107 HIS HA H 5.603 0.02 1 949 107 107 HIS HB2 H 2.905 0.02 2 950 107 107 HIS HB3 H 3.246 0.02 2 951 107 107 HIS HD2 H 7.365 0.02 1 952 107 107 HIS CA C 55.637 0.3 1 953 107 107 HIS CB C 32.716 0.3 1 954 107 107 HIS N N 116.464 0.3 1 955 108 108 SER H H 8.362 0.02 1 956 108 108 SER HA H 4.570 0.02 1 957 108 108 SER HB2 H 3.716 0.02 1 958 108 108 SER HB3 H 3.716 0.02 1 959 108 108 SER CB C 64.835 0.3 1 960 108 108 SER N N 113.851 0.3 1 961 109 109 THR H H 8.440 0.02 1 962 109 109 THR HA H 5.492 0.02 1 963 109 109 THR HB H 3.742 0.02 1 964 109 109 THR HG2 H 1.084 0.02 1 965 109 109 THR CA C 61.786 0.3 1 966 109 109 THR CB C 72.683 0.3 1 967 109 109 THR CG2 C 22.569 0.3 1 968 109 109 THR N N 124.395 0.3 1 969 110 110 LEU H H 9.961 0.02 1 970 110 110 LEU HA H 4.755 0.02 1 971 110 110 LEU HB2 H 1.783 0.02 1 972 110 110 LEU HB3 H 1.783 0.02 1 973 110 110 LEU HG H 1.431 0.02 1 974 110 110 LEU HD1 H 0.989 0.02 2 975 110 110 LEU HD2 H 0.796 0.02 2 976 110 110 LEU CA C 54.112 0.3 1 977 110 110 LEU CG C 27.234 0.3 1 978 110 110 LEU CD1 C 23.176 0.3 2 979 110 110 LEU CD2 C 26.775 0.3 2 980 110 110 LEU N N 131.502 0.3 1 981 111 111 VAL H H 8.941 0.02 1 982 111 111 VAL HA H 4.225 0.02 1 983 111 111 VAL HB H 2.145 0.02 1 984 111 111 VAL HG1 H 0.962 0.02 2 985 111 111 VAL HG2 H 0.974 0.02 2 986 111 111 VAL CA C 62.985 0.3 1 987 111 111 VAL CB C 31.777 0.3 1 988 111 111 VAL CG1 C 21.520 0.3 2 989 111 111 VAL CG2 C 21.095 0.3 2 990 111 111 VAL N N 128.873 0.3 1 991 112 112 LEU H H 8.964 0.02 1 992 112 112 LEU HA H 4.831 0.02 1 993 112 112 LEU HB2 H 2.415 0.02 1 994 112 112 LEU HB3 H 2.415 0.02 1 995 112 112 LEU HG H 1.782 0.02 1 996 112 112 LEU HD1 H 1.032 0.02 2 997 112 112 LEU HD2 H 0.991 0.02 2 998 112 112 LEU CD1 C 26.163 0.3 2 999 112 112 LEU CD2 C 24.332 0.3 2 1000 112 112 LEU N N 132.877 0.3 1 1001 113 113 ILE H H 7.555 0.02 1 1002 113 113 ILE HA H 4.932 0.02 1 1003 113 113 ILE HB H 1.748 0.02 1 1004 113 113 ILE HG12 H 0.954 0.02 2 1005 113 113 ILE HG13 H 1.366 0.02 2 1006 113 113 ILE HG2 H 0.828 0.02 1 1007 113 113 ILE HD1 H 0.781 0.02 1 1008 113 113 ILE CA C 59.292 0.3 1 1009 113 113 ILE CB C 43.014 0.3 1 1010 113 113 ILE CG1 C 26.361 0.3 1 1011 113 113 ILE CG2 C 17.200 0.3 1 1012 113 113 ILE CD1 C 13.540 0.3 1 1013 113 113 ILE N N 116.442 0.3 1 1014 114 114 GLY H H 9.512 0.02 1 1015 114 114 GLY HA2 H 4.126 0.02 2 1016 114 114 GLY HA3 H 3.927 0.02 2 1017 114 114 GLY N N 113.856 0.3 1 1018 115 115 ASP HA H 4.381 0.02 1 1019 115 115 ASP HB2 H 2.716 0.02 2 1020 115 115 ASP HB3 H 2.731 0.02 2 1021 115 115 ASP CA C 57.911 0.3 1 1022 115 115 ASP CB C 40.370 0.3 1 1023 116 116 VAL H H 8.110 0.02 1 1024 116 116 VAL HA H 3.793 0.02 1 1025 116 116 VAL HB H 2.375 0.02 1 1026 116 116 VAL HG1 H 1.117 0.02 2 1027 116 116 VAL HG2 H 1.182 0.02 2 1028 116 116 VAL CA C 65.665 0.3 1 1029 116 116 VAL CB C 31.901 0.3 1 1030 116 116 VAL CG1 C 20.797 0.3 2 1031 116 116 VAL CG2 C 22.228 0.3 2 1032 116 116 VAL N N 118.659 0.3 1 1033 117 117 TYR H H 6.966 0.02 1 1034 117 117 TYR HA H 4.029 0.02 1 1035 117 117 TYR HB2 H 2.798 0.02 2 1036 117 117 TYR HB3 H 3.029 0.02 2 1037 117 117 TYR HD1 H 7.020 0.02 1 1038 117 117 TYR HD2 H 7.020 0.02 1 1039 117 117 TYR HE1 H 6.653 0.02 1 1040 117 117 TYR HE2 H 6.653 0.02 1 1041 117 117 TYR CA C 61.808 0.3 1 1042 117 117 TYR CD1 C 132.578 0.3 1 1043 117 117 TYR CD2 C 132.578 0.3 1 1044 117 117 TYR CE1 C 117.974 0.3 1 1045 117 117 TYR CE2 C 117.974 0.3 1 1046 117 117 TYR N N 120.670 0.3 1 1047 118 118 LYS H H 8.224 0.02 1 1048 118 118 LYS HA H 3.982 0.02 1 1049 118 118 LYS HG2 H 1.612 0.02 1 1050 118 118 LYS HG3 H 1.612 0.02 1 1051 118 118 LYS HD2 H 1.735 0.02 2 1052 118 118 LYS HD3 H 1.862 0.02 2 1053 118 118 LYS HE2 H 3.072 0.02 2 1054 118 118 LYS HE3 H 3.021 0.02 2 1055 118 118 LYS CA C 58.433 0.3 1 1056 118 118 LYS CG C 24.701 0.3 1 1057 118 118 LYS CD C 28.006 0.3 1 1058 118 118 LYS N N 117.699 0.3 1 1059 119 119 LYS H H 8.042 0.02 1 1060 119 119 LYS HA H 3.978 0.02 1 1061 119 119 LYS HB2 H 1.877 0.02 2 1062 119 119 LYS HB3 H 1.872 0.02 2 1063 119 119 LYS HG2 H 1.407 0.02 2 1064 119 119 LYS HG3 H 1.588 0.02 2 1065 119 119 LYS HD2 H 1.671 0.02 2 1066 119 119 LYS HD3 H 1.673 0.02 2 1067 119 119 LYS HE2 H 2.967 0.02 1 1068 119 119 LYS HE3 H 2.967 0.02 1 1069 119 119 LYS CA C 59.693 0.3 1 1070 119 119 LYS CB C 32.343 0.3 1 1071 119 119 LYS CG C 25.114 0.3 1 1072 119 119 LYS CD C 29.212 0.3 1 1073 119 119 LYS N N 118.740 0.3 1 1074 120 120 LEU H H 7.197 0.02 1 1075 120 120 LEU HA H 4.099 0.02 1 1076 120 120 LEU HB2 H 1.610 0.02 2 1077 120 120 LEU HB3 H 1.606 0.02 2 1078 120 120 LEU HG H 1.458 0.02 1 1079 120 120 LEU HD1 H 0.800 0.02 2 1080 120 120 LEU HD2 H 0.785 0.02 2 1081 120 120 LEU CA C 57.800 0.3 1 1082 120 120 LEU CB C 42.235 0.3 1 1083 120 120 LEU CG C 26.544 0.3 1 1084 120 120 LEU CD1 C 24.451 0.3 2 1085 120 120 LEU CD2 C 26.632 0.3 2 1086 120 120 LEU N N 122.477 0.3 1 1087 121 121 GLN H H 8.493 0.02 1 1088 121 121 GLN HA H 3.715 0.02 1 1089 121 121 GLN HB2 H 1.973 0.02 2 1090 121 121 GLN HB3 H 1.936 0.02 2 1091 121 121 GLN HG2 H 2.377 0.02 2 1092 121 121 GLN HG3 H 2.375 0.02 2 1093 121 121 GLN HE21 H 7.343 0.02 1 1094 121 121 GLN HE22 H 6.958 0.02 1 1095 121 121 GLN CA C 59.578 0.3 1 1096 121 121 GLN N N 117.820 0.3 1 1097 121 121 GLN NE2 N 109.823 0.3 1 1098 122 122 LYS H H 7.936 0.02 1 1099 122 122 LYS HA H 4.077 0.02 1 1100 122 122 LYS HB2 H 1.940 0.02 2 1101 122 122 LYS HB3 H 1.944 0.02 2 1102 122 122 LYS HD2 H 1.650 0.02 2 1103 122 122 LYS HD3 H 1.514 0.02 2 1104 122 122 LYS HE2 H 2.980 0.02 2 1105 122 122 LYS HE3 H 2.982 0.02 2 1106 122 122 LYS HZ H 7.078 0.02 1 1107 122 122 LYS CA C 59.409 0.3 1 1108 122 122 LYS CB C 32.238 0.3 1 1109 122 122 LYS N N 118.608 0.3 1 1110 123 123 GLU H H 8.081 0.02 1 1111 123 123 GLU HA H 4.294 0.02 1 1112 123 123 GLU HB2 H 2.058 0.02 2 1113 123 123 GLU HB3 H 1.929 0.02 2 1114 123 123 GLU HG2 H 2.208 0.02 2 1115 123 123 GLU HG3 H 2.461 0.02 2 1116 123 123 GLU N N 121.962 0.3 1 1117 124 124 ALA H H 8.793 0.02 1 1118 124 124 ALA HA H 4.064 0.02 1 1119 124 124 ALA HB H 1.525 0.02 1 1120 124 124 ALA CA C 55.915 0.3 1 1121 124 124 ALA CB C 17.493 0.3 1 1122 124 124 ALA N N 123.724 0.3 1 1123 125 125 GLU H H 8.185 0.02 1 1124 125 125 GLU HA H 4.228 0.02 1 1125 125 125 GLU HB2 H 2.120 0.02 2 1126 125 125 GLU HB3 H 2.085 0.02 2 1127 125 125 GLU HG2 H 2.454 0.02 1 1128 125 125 GLU HG3 H 2.454 0.02 1 1129 125 125 GLU CA C 58.578 0.3 1 1130 125 125 GLU CB C 29.280 0.3 1 1131 125 125 GLU CG C 35.915 0.3 1 1132 125 125 GLU N N 118.294 0.3 1 1133 126 126 PHE H H 8.394 0.02 1 1134 126 126 PHE HA H 4.401 0.02 1 1135 126 126 PHE HB2 H 3.234 0.02 2 1136 126 126 PHE HB3 H 3.385 0.02 2 1137 126 126 PHE HD1 H 7.343 0.02 1 1138 126 126 PHE HD2 H 7.343 0.02 1 1139 126 126 PHE HE1 H 7.356 0.02 1 1140 126 126 PHE HE2 H 7.356 0.02 1 1141 126 126 PHE CA C 61.340 0.3 1 1142 126 126 PHE CB C 38.743 0.3 1 1143 126 126 PHE CD1 C 131.810 0.3 1 1144 126 126 PHE CD2 C 131.810 0.3 1 1145 126 126 PHE N N 120.651 0.3 1 1146 127 127 GLN H H 8.499 0.02 1 1147 127 127 GLN HA H 4.063 0.02 1 1148 127 127 GLN HB2 H 2.095 0.02 2 1149 127 127 GLN HB3 H 1.887 0.02 2 1150 127 127 GLN HG2 H 2.716 0.02 2 1151 127 127 GLN HG3 H 2.499 0.02 2 1152 127 127 GLN HE21 H 6.939 0.02 1 1153 127 127 GLN HE22 H 7.928 0.02 1 1154 127 127 GLN CA C 58.539 0.3 1 1155 127 127 GLN CB C 27.577 0.3 1 1156 127 127 GLN CG C 31.982 0.3 1 1157 127 127 GLN N N 117.342 0.3 1 1158 127 127 GLN NE2 N 112.689 0.3 1 1159 128 128 ARG H H 8.404 0.02 1 1160 128 128 ARG HB2 H 1.863 0.02 1 1161 128 128 ARG HB3 H 1.863 0.02 1 1162 128 128 ARG HE H 7.170 0.02 1 1163 128 128 ARG CB C 29.327 0.3 1 1164 128 128 ARG N N 121.729 0.3 1 1165 129 129 GLN H H 8.252 0.02 1 1166 129 129 GLN HA H 4.024 0.02 1 1167 129 129 GLN HB2 H 2.204 0.02 2 1168 129 129 GLN HB3 H 2.263 0.02 2 1169 129 129 GLN HG2 H 2.526 0.02 2 1170 129 129 GLN HG3 H 2.653 0.02 2 1171 129 129 GLN HE21 H 6.871 0.02 1 1172 129 129 GLN HE22 H 7.656 0.02 1 1173 129 129 GLN CA C 58.484 0.3 1 1174 129 129 GLN CB C 27.967 0.3 1 1175 129 129 GLN CG C 33.998 0.3 1 1176 129 129 GLN N N 117.589 0.3 1 1177 129 129 GLN NE2 N 112.059 0.3 1 1178 130 130 GLU H H 8.583 0.02 1 1179 130 130 GLU HB2 H 1.686 0.02 1 1180 130 130 GLU HB3 H 1.686 0.02 1 1181 130 130 GLU HG2 H 2.219 0.02 1 1182 130 130 GLU HG3 H 2.219 0.02 1 1183 130 130 GLU N N 121.980 0.3 1 1184 131 131 TRP H H 8.219 0.02 1 1185 131 131 TRP HB2 H 3.410 0.02 1 1186 131 131 TRP HB3 H 3.410 0.02 1 1187 131 131 TRP HD1 H 7.159 0.02 1 1188 131 131 TRP HE1 H 10.147 0.02 1 1189 131 131 TRP HE3 H 7.568 0.02 1 1190 131 131 TRP HZ2 H 7.338 0.02 1 1191 131 131 TRP HZ3 H 7.145 0.02 1 1192 131 131 TRP HH2 H 7.326 0.02 1 1193 131 131 TRP CD1 C 127.011 0.3 1 1194 131 131 TRP CZ3 C 124.692 0.3 1 1195 131 131 TRP N N 117.578 0.3 1 1196 131 131 TRP NE1 N 129.870 0.3 1 1197 132 132 ILE H H 7.838 0.02 1 1198 132 132 ILE HA H 4.049 0.02 1 1199 132 132 ILE HB H 1.964 0.02 1 1200 132 132 ILE HG12 H 1.280 0.02 1 1201 132 132 ILE HG13 H 1.280 0.02 1 1202 132 132 ILE HG2 H 0.928 0.02 1 1203 132 132 ILE HD1 H 0.946 0.02 1 1204 132 132 ILE CA C 65.061 0.3 1 1205 132 132 ILE CB C 38.402 0.3 1 1206 132 132 ILE CG1 C 29.154 0.3 1 1207 132 132 ILE CG2 C 16.891 0.3 1 1208 132 132 ILE CD1 C 13.240 0.3 1 1209 132 132 ILE N N 118.107 0.3 1 1210 133 133 ARG H H 8.274 0.02 1 1211 133 133 ARG HG2 H 1.627 0.02 1 1212 133 133 ARG HG3 H 1.627 0.02 1 1213 133 133 ARG N N 122.512 0.3 1 1214 134 134 LYS H H 7.528 0.02 1 1215 134 134 LYS N N 115.659 0.3 1 1216 135 135 GLN H H 7.189 0.02 1 1217 135 135 GLN HA H 3.833 0.02 1 1218 135 135 GLN HB2 H 1.582 0.02 2 1219 135 135 GLN HB3 H 2.015 0.02 2 1220 135 135 GLN HG2 H 1.812 0.02 2 1221 135 135 GLN HG3 H 1.831 0.02 2 1222 135 135 GLN HE21 H 6.162 0.02 1 1223 135 135 GLN HE22 H 5.985 0.02 1 1224 135 135 GLN CA C 55.259 0.3 1 1225 135 135 GLN CB C 27.559 0.3 1 1226 135 135 GLN N N 116.063 0.3 1 1227 135 135 GLN NE2 N 114.075 0.3 1 1228 136 136 GLY H H 7.033 0.02 1 1229 136 136 GLY HA2 H 4.163 0.02 1 1230 136 136 GLY HA3 H 4.163 0.02 1 1231 136 136 GLY CA C 43.494 0.3 1 1232 136 136 GLY N N 106.953 0.3 1 1233 137 137 PRO HD2 H 3.510 0.02 2 1234 137 137 PRO HD3 H 3.592 0.02 2 1235 140 140 ALA HA H 4.397 0.02 1 1236 140 140 ALA HB H 1.386 0.02 1 1237 140 140 ALA CA C 52.204 0.3 1 1238 140 140 ALA CB C 19.107 0.3 1 1239 141 141 GLU HA H 4.496 0.02 1 1240 141 141 GLU HB2 H 1.841 0.02 2 1241 141 141 GLU HB3 H 2.005 0.02 2 1242 141 141 GLU HG2 H 2.522 0.02 1 1243 141 141 GLU HG3 H 2.522 0.02 1 1244 141 141 GLU CA C 56.540 0.3 1 1245 141 141 GLU CB C 31.906 0.3 1 1246 142 142 TYR H H 8.542 0.02 1 1247 142 142 TYR HA H 3.954 0.02 1 1248 142 142 TYR HB2 H 2.765 0.02 2 1249 142 142 TYR HB3 H 3.218 0.02 2 1250 142 142 TYR HD1 H 7.045 0.02 1 1251 142 142 TYR HD2 H 7.045 0.02 1 1252 142 142 TYR HE1 H 6.864 0.02 1 1253 142 142 TYR HE2 H 6.864 0.02 1 1254 142 142 TYR CA C 58.474 0.3 1 1255 142 142 TYR CB C 38.818 0.3 1 1256 142 142 TYR CD1 C 132.175 0.3 1 1257 142 142 TYR CD2 C 132.175 0.3 1 1258 142 142 TYR N N 123.270 0.3 1 1259 143 143 LEU H H 7.955 0.02 1 1260 143 143 LEU HA H 4.234 0.02 1 1261 143 143 LEU HD1 H 0.822 0.02 2 1262 143 143 LEU HD2 H 0.982 0.02 2 1263 143 143 LEU CA C 56.017 0.3 1 1264 143 143 LEU CD1 C 25.805 0.3 2 1265 143 143 LEU CD2 C 24.630 0.3 2 1266 143 143 LEU N N 117.450 0.3 1 1267 144 144 SER H H 9.269 0.02 1 1268 144 144 SER HA H 4.675 0.02 1 1269 144 144 SER HB2 H 3.826 0.02 2 1270 144 144 SER HB3 H 3.983 0.02 2 1271 144 144 SER HG H 5.593 0.02 1 1272 144 144 SER N N 116.844 0.3 1 1273 145 145 TRP H H 7.957 0.02 1 1274 145 145 TRP HA H 6.130 0.02 1 1275 145 145 TRP HB2 H 2.872 0.02 2 1276 145 145 TRP HB3 H 2.853 0.02 2 1277 145 145 TRP HD1 H 7.002 0.02 1 1278 145 145 TRP HE1 H 10.194 0.02 1 1279 145 145 TRP HE3 H 7.638 0.02 1 1280 145 145 TRP HZ2 H 7.369 0.02 1 1281 145 145 TRP HZ3 H 6.796 0.02 1 1282 145 145 TRP HH2 H 7.079 0.02 1 1283 145 145 TRP CA C 54.435 0.3 1 1284 145 145 TRP CD1 C 126.565 0.3 1 1285 145 145 TRP CZ2 C 114.376 0.3 1 1286 145 145 TRP CH2 C 124.212 0.3 1 1287 145 145 TRP N N 114.527 0.3 1 1288 145 145 TRP NE1 N 129.337 0.3 1 1289 146 146 GLU H H 8.833 0.02 1 1290 146 146 GLU HA H 4.404 0.02 1 1291 146 146 GLU HB2 H 1.928 0.02 1 1292 146 146 GLU HB3 H 1.928 0.02 1 1293 146 146 GLU CA C 55.026 0.3 1 1294 146 146 GLU CB C 33.749 0.3 1 1295 146 146 GLU N N 118.104 0.3 1 1296 147 147 VAL H H 8.747 0.02 1 1297 147 147 VAL HA H 4.803 0.02 1 1298 147 147 VAL HB H 2.015 0.02 1 1299 147 147 VAL HG1 H 1.040 0.02 2 1300 147 147 VAL HG2 H 0.982 0.02 2 1301 147 147 VAL CA C 62.127 0.3 1 1302 147 147 VAL CB C 32.399 0.3 1 1303 147 147 VAL CG1 C 22.183 0.3 2 1304 147 147 VAL CG2 C 21.213 0.3 2 1305 147 147 VAL N N 123.850 0.3 1 1306 148 148 THR H H 8.549 0.02 1 1307 148 148 THR HA H 4.692 0.02 1 1308 148 148 THR HB H 4.171 0.02 1 1309 148 148 THR HG2 H 1.056 0.02 1 1310 148 148 THR CA C 60.059 0.3 1 1311 148 148 THR CB C 70.143 0.3 1 1312 148 148 THR CG2 C 21.582 0.3 1 1313 148 148 THR N N 120.728 0.3 1 1314 149 149 GLY H H 8.494 0.02 1 1315 149 149 GLY HA2 H 3.917 0.02 2 1316 149 149 GLY HA3 H 3.892 0.02 2 1317 149 149 GLY CA C 46.076 0.3 1 1318 149 149 GLY N N 111.803 0.3 1 1319 150 150 GLU H H 8.392 0.02 1 1320 150 150 GLU HA H 4.140 0.02 1 1321 150 150 GLU HB2 H 2.102 0.02 1 1322 150 150 GLU HB3 H 2.102 0.02 1 1323 150 150 GLU HG2 H 2.264 0.02 2 1324 150 150 GLU HG3 H 2.260 0.02 2 1325 150 150 GLU CA C 58.536 0.3 1 1326 150 150 GLU CB C 29.338 0.3 1 1327 150 150 GLU CG C 36.456 0.3 1 1328 150 150 GLU N N 118.829 0.3 1 1329 151 151 SER H H 8.269 0.02 1 1330 151 151 SER HA H 4.441 0.02 1 1331 151 151 SER HB2 H 4.118 0.02 2 1332 151 151 SER HB3 H 3.955 0.02 2 1333 151 151 SER CA C 58.075 0.3 1 1334 151 151 SER CB C 63.485 0.3 1 1335 151 151 SER N N 111.197 0.3 1 1336 152 152 ASN H H 7.786 0.02 1 1337 152 152 ASN HA H 5.462 0.02 1 1338 152 152 ASN HB2 H 3.018 0.02 2 1339 152 152 ASN HB3 H 2.605 0.02 2 1340 152 152 ASN HD21 H 7.399 0.02 1 1341 152 152 ASN HD22 H 7.142 0.02 1 1342 152 152 ASN CA C 51.483 0.3 1 1343 152 152 ASN CB C 40.107 0.3 1 1344 152 152 ASN N N 117.939 0.3 1 1345 152 152 ASN ND2 N 113.816 0.3 1 1346 153 153 VAL H H 8.790 0.02 1 1347 153 153 VAL HA H 4.616 0.02 1 1348 153 153 VAL HB H 1.585 0.02 1 1349 153 153 VAL HG1 H 0.180 0.02 2 1350 153 153 VAL HG2 H 0.610 0.02 2 1351 153 153 VAL CA C 61.680 0.3 1 1352 153 153 VAL CB C 35.641 0.3 1 1353 153 153 VAL CG1 C 21.923 0.3 2 1354 153 153 VAL CG2 C 21.454 0.3 2 1355 153 153 VAL N N 121.056 0.3 1 1356 154 154 LEU H H 9.182 0.02 1 1357 154 154 LEU HA H 5.282 0.02 1 1358 154 154 LEU HD1 H 0.834 0.02 2 1359 154 154 LEU HD2 H 0.786 0.02 2 1360 154 154 LEU CD1 C 24.212 0.3 2 1361 154 154 LEU CD2 C 26.278 0.3 2 1362 154 154 LEU N N 129.974 0.3 1 1363 155 155 LEU H H 9.124 0.02 1 1364 155 155 LEU HA H 5.262 0.02 1 1365 155 155 LEU HG H 1.531 0.02 1 1366 155 155 LEU HD1 H 0.674 0.02 2 1367 155 155 LEU HD2 H 0.523 0.02 2 1368 155 155 LEU CA C 54.008 0.3 1 1369 155 155 LEU CG C 27.764 0.3 1 1370 155 155 LEU CD1 C 24.968 0.3 2 1371 155 155 LEU CD2 C 26.015 0.3 2 1372 155 155 LEU N N 127.524 0.3 1 1373 156 156 LYS H H 8.743 0.02 1 1374 156 156 LYS HA H 5.508 0.02 1 1375 156 156 LYS HB2 H 1.578 0.02 2 1376 156 156 LYS HB3 H 1.573 0.02 2 1377 156 156 LYS HG2 H 1.491 0.02 1 1378 156 156 LYS HG3 H 1.491 0.02 1 1379 156 156 LYS CA C 54.586 0.3 1 1380 156 156 LYS CB C 36.997 0.3 1 1381 156 156 LYS CG C 24.816 0.3 1 1382 156 156 LYS N N 118.804 0.3 1 1383 157 157 CYS H H 8.674 0.02 1 1384 157 157 CYS HA H 4.687 0.02 1 1385 157 157 CYS HB2 H 2.983 0.02 2 1386 157 157 CYS HB3 H 2.984 0.02 2 1387 157 157 CYS HG H 2.366 0.02 1 1388 157 157 CYS N N 114.855 0.3 1 1389 158 158 LYS H H 8.731 0.02 1 1390 158 158 LYS HA H 4.638 0.02 1 1391 158 158 LYS N N 119.836 0.3 1 1392 159 159 VAL H H 9.323 0.02 1 1393 159 159 VAL HA H 4.610 0.02 1 1394 159 159 VAL HB H 1.658 0.02 1 1395 159 159 VAL HG1 H 0.668 0.02 2 1396 159 159 VAL HG2 H 0.573 0.02 2 1397 159 159 VAL CA C 59.438 0.3 1 1398 159 159 VAL CB C 33.811 0.3 1 1399 159 159 VAL CG1 C 19.012 0.3 2 1400 159 159 VAL CG2 C 23.089 0.3 2 1401 159 159 VAL N N 121.598 0.3 1 1402 160 160 ALA H H 8.695 0.02 1 1403 160 160 ALA HA H 4.676 0.02 1 1404 160 160 ALA HB H 0.662 0.02 1 1405 160 160 ALA CA C 50.652 0.3 1 1406 160 160 ALA CB C 22.712 0.3 1 1407 160 160 ALA N N 124.151 0.3 1 1408 161 161 ASN H H 8.442 0.02 1 1409 161 161 ASN HB2 H 2.919 0.02 1 1410 161 161 ASN HB3 H 2.919 0.02 1 1411 161 161 ASN HD21 H 6.584 0.02 1 1412 161 161 ASN HD22 H 6.292 0.02 1 1413 161 161 ASN N N 116.685 0.3 1 1414 161 161 ASN ND2 N 109.898 0.3 1 1415 162 162 ILE HA H 4.193 0.02 1 1416 162 162 ILE HB H 1.884 0.02 1 1417 162 162 ILE HG2 H 0.614 0.02 1 1418 162 162 ILE HD1 H 0.465 0.02 1 1419 162 162 ILE CG2 C 18.661 0.3 1 1420 162 162 ILE CD1 C 13.194 0.3 1 1421 165 165 GLU H H 8.734 0.02 1 1422 165 165 GLU HA H 4.204 0.02 1 1423 165 165 GLU HB2 H 1.979 0.02 2 1424 165 165 GLU HB3 H 1.975 0.02 2 1425 165 165 GLU HG2 H 2.187 0.02 1 1426 165 165 GLU HG3 H 2.187 0.02 1 1427 165 165 GLU N N 112.980 0.3 1 1428 166 166 THR H H 8.004 0.02 1 1429 166 166 THR HA H 3.958 0.02 1 1430 166 166 THR HG2 H 1.088 0.02 1 1431 166 166 THR CG2 C 22.608 0.3 1 1432 166 166 THR N N 119.757 0.3 1 1433 167 167 HIS H H 9.286 0.02 1 1434 167 167 HIS HA H 4.951 0.02 1 1435 167 167 HIS HB2 H 3.054 0.02 2 1436 167 167 HIS HB3 H 3.079 0.02 2 1437 167 167 HIS CA C 55.370 0.3 1 1438 167 167 HIS N N 128.701 0.3 1 1439 168 168 ILE H H 8.641 0.02 1 1440 168 168 ILE HA H 4.901 0.02 1 1441 168 168 ILE HB H 1.893 0.02 1 1442 168 168 ILE HG2 H 0.599 0.02 1 1443 168 168 ILE HD1 H 0.470 0.02 1 1444 168 168 ILE CB C 38.702 0.3 1 1445 168 168 ILE CG2 C 15.470 0.3 1 1446 168 168 ILE CD1 C 13.528 0.3 1 1447 168 168 ILE N N 126.198 0.3 1 1448 169 169 VAL H H 8.399 0.02 1 1449 169 169 VAL HA H 4.758 0.02 1 1450 169 169 VAL HG1 H 0.699 0.02 2 1451 169 169 VAL HG2 H 0.919 0.02 2 1452 169 169 VAL CG1 C 21.810 0.3 2 1453 169 169 VAL CG2 C 21.453 0.3 2 1454 169 169 VAL N N 126.616 0.3 1 1455 170 170 TRP H H 8.971 0.02 1 1456 170 170 TRP HB2 H 3.083 0.02 2 1457 170 170 TRP HB3 H 3.031 0.02 2 1458 170 170 TRP HD1 H 7.033 0.02 1 1459 170 170 TRP HE1 H 10.203 0.02 1 1460 170 170 TRP HE3 H 7.650 0.02 1 1461 170 170 TRP HZ2 H 7.394 0.02 1 1462 170 170 TRP HZ3 H 6.986 0.02 1 1463 170 170 TRP HH2 H 7.129 0.02 1 1464 170 170 TRP CD1 C 126.627 0.3 1 1465 170 170 TRP CZ2 C 114.297 0.3 1 1466 170 170 TRP CH2 C 124.211 0.3 1 1467 170 170 TRP N N 125.608 0.3 1 1468 170 170 TRP NE1 N 129.393 0.3 1 1469 171 171 TYR H H 10.041 0.02 1 1470 171 171 TYR HA H 5.333 0.02 1 1471 171 171 TYR HB2 H 2.937 0.02 2 1472 171 171 TYR HB3 H 2.557 0.02 2 1473 171 171 TYR HD1 H 6.747 0.02 1 1474 171 171 TYR HD2 H 6.747 0.02 1 1475 171 171 TYR HE1 H 6.678 0.02 1 1476 171 171 TYR HE2 H 6.678 0.02 1 1477 171 171 TYR CB C 43.620 0.3 1 1478 171 171 TYR CD1 C 132.595 0.3 1 1479 171 171 TYR CD2 C 132.595 0.3 1 1480 171 171 TYR CE1 C 118.935 0.3 1 1481 171 171 TYR CE2 C 118.935 0.3 1 1482 171 171 TYR N N 120.515 0.3 1 1483 172 172 LYS H H 8.890 0.02 1 1484 172 172 LYS HA H 4.682 0.02 1 1485 172 172 LYS HB2 H 1.934 0.02 1 1486 172 172 LYS HB3 H 1.934 0.02 1 1487 172 172 LYS HG2 H 1.368 0.02 1 1488 172 172 LYS HG3 H 1.368 0.02 1 1489 172 172 LYS HD2 H 1.550 0.02 1 1490 172 172 LYS HD3 H 1.550 0.02 1 1491 172 172 LYS HZ H 7.522 0.02 1 1492 172 172 LYS CG C 24.739 0.3 1 1493 172 172 LYS N N 119.934 0.3 1 1494 173 173 ASP H H 9.880 0.02 1 1495 173 173 ASP HA H 4.359 0.02 1 1496 173 173 ASP HB2 H 2.851 0.02 2 1497 173 173 ASP HB3 H 2.677 0.02 2 1498 173 173 ASP N N 130.568 0.3 1 1499 174 174 GLU H H 9.102 0.02 1 1500 174 174 GLU HA H 3.684 0.02 1 1501 174 174 GLU HB2 H 2.164 0.02 1 1502 174 174 GLU HB3 H 2.164 0.02 1 1503 174 174 GLU CA C 58.145 0.3 1 1504 174 174 GLU N N 107.818 0.3 1 1505 175 175 ARG H H 8.191 0.02 1 1506 175 175 ARG HA H 4.792 0.02 1 1507 175 175 ARG HB2 H 1.912 0.02 2 1508 175 175 ARG HB3 H 1.750 0.02 2 1509 175 175 ARG HG2 H 1.681 0.02 1 1510 175 175 ARG HG3 H 1.681 0.02 1 1511 175 175 ARG HE H 7.183 0.02 1 1512 175 175 ARG HH21 H 6.807 0.02 1 1513 175 175 ARG CG C 27.293 0.3 1 1514 175 175 ARG N N 121.618 0.3 1 1515 176 176 GLU H H 8.995 0.02 1 1516 176 176 GLU HA H 3.790 0.02 1 1517 176 176 GLU N N 126.922 0.3 1 1518 177 177 ILE H H 9.169 0.02 1 1519 177 177 ILE HA H 4.648 0.02 1 1520 177 177 ILE HB H 1.953 0.02 1 1521 177 177 ILE HG12 H 1.550 0.02 1 1522 177 177 ILE HG13 H 1.550 0.02 1 1523 177 177 ILE HG2 H 0.973 0.02 1 1524 177 177 ILE HD1 H 0.989 0.02 1 1525 177 177 ILE CB C 40.747 0.3 1 1526 177 177 ILE CG2 C 18.106 0.3 1 1527 177 177 ILE CD1 C 14.395 0.3 1 1528 177 177 ILE N N 121.221 0.3 1 1529 179 179 VAL H H 8.359 0.02 1 1530 179 179 VAL HB H 2.077 0.02 1 1531 179 179 VAL HG1 H 0.957 0.02 2 1532 179 179 VAL HG2 H 0.963 0.02 2 1533 179 179 VAL CB C 34.048 0.3 1 1534 179 179 VAL CG1 C 21.247 0.3 2 1535 179 179 VAL CG2 C 21.208 0.3 2 1536 179 179 VAL N N 125.684 0.3 1 1537 180 180 ASP H H 8.719 0.02 1 1538 180 180 ASP N N 127.013 0.3 1 1539 181 181 GLU H H 8.711 0.02 1 1540 181 181 GLU N N 124.210 0.3 1 1541 182 182 LYS H H 8.311 0.02 1 1542 182 182 LYS HB2 H 1.784 0.02 1 1543 182 182 LYS HB3 H 1.784 0.02 1 1544 182 182 LYS HG2 H 1.457 0.02 1 1545 182 182 LYS HG3 H 1.457 0.02 1 1546 182 182 LYS CG C 24.675 0.3 1 1547 182 182 LYS N N 120.606 0.3 1 1548 188 188 GLY H H 8.155 0.02 1 1549 188 188 GLY N N 105.718 0.3 1 1550 189 189 ILE H H 7.874 0.02 1 1551 189 189 ILE HB H 1.948 0.02 1 1552 189 189 ILE HG12 H 1.541 0.02 2 1553 189 189 ILE HG13 H 1.160 0.02 2 1554 189 189 ILE HG2 H 0.883 0.02 1 1555 189 189 ILE HD1 H 0.791 0.02 1 1556 189 189 ILE CB C 37.649 0.3 1 1557 189 189 ILE CG1 C 27.599 0.3 1 1558 189 189 ILE CG2 C 17.483 0.3 1 1559 189 189 ILE CD1 C 12.057 0.3 1 1560 189 189 ILE N N 120.757 0.3 1 1561 190 190 CYS HA H 4.576 0.02 1 1562 191 191 THR H H 8.526 0.02 1 1563 191 191 THR HA H 5.831 0.02 1 1564 191 191 THR HB H 4.210 0.02 1 1565 191 191 THR HG2 H 1.178 0.02 1 1566 191 191 THR CA C 59.048 0.3 1 1567 191 191 THR CB C 73.745 0.3 1 1568 191 191 THR CG2 C 21.924 0.3 1 1569 191 191 THR N N 114.468 0.3 1 1570 192 192 LEU H H 8.301 0.02 1 1571 192 192 LEU HA H 3.913 0.02 1 1572 192 192 LEU HB2 H 1.710 0.02 1 1573 192 192 LEU HB3 H 1.710 0.02 1 1574 192 192 LEU HG H 0.876 0.02 1 1575 192 192 LEU HD1 H 0.404 0.02 2 1576 192 192 LEU HD2 H 0.275 0.02 2 1577 192 192 LEU CA C 54.966 0.3 1 1578 192 192 LEU CG C 27.047 0.3 1 1579 192 192 LEU CD1 C 25.694 0.3 2 1580 192 192 LEU CD2 C 23.448 0.3 2 1581 192 192 LEU N N 121.940 0.3 1 1582 193 193 LEU H H 8.258 0.02 1 1583 193 193 LEU HA H 4.901 0.02 1 1584 193 193 LEU HG H 1.214 0.02 1 1585 193 193 LEU HD1 H 0.753 0.02 2 1586 193 193 LEU HD2 H 0.779 0.02 2 1587 193 193 LEU CG C 27.024 0.3 1 1588 193 193 LEU CD1 C 23.522 0.3 2 1589 193 193 LEU CD2 C 25.968 0.3 2 1590 193 193 LEU N N 128.631 0.3 1 1591 194 194 ILE H H 9.627 0.02 1 1592 194 194 ILE HA H 4.230 0.02 1 1593 194 194 ILE HB H 2.017 0.02 1 1594 194 194 ILE HG12 H 0.945 0.02 2 1595 194 194 ILE HG13 H 1.319 0.02 2 1596 194 194 ILE HG2 H 0.864 0.02 1 1597 194 194 ILE HD1 H 0.629 0.02 1 1598 194 194 ILE CA C 60.378 0.3 1 1599 194 194 ILE CB C 38.421 0.3 1 1600 194 194 ILE CG1 C 26.418 0.3 1 1601 194 194 ILE CG2 C 18.480 0.3 1 1602 194 194 ILE CD1 C 13.266 0.3 1 1603 194 194 ILE N N 130.643 0.3 1 1604 195 195 THR H H 8.240 0.02 1 1605 195 195 THR HA H 4.425 0.02 1 1606 195 195 THR HB H 4.091 0.02 1 1607 195 195 THR HG2 H 1.118 0.02 1 1608 195 195 THR CA C 61.020 0.3 1 1609 195 195 THR CB C 69.602 0.3 1 1610 195 195 THR CG2 C 21.867 0.3 1 1611 195 195 THR N N 120.194 0.3 1 1612 196 196 GLU H H 8.680 0.02 1 1613 196 196 GLU HA H 3.843 0.02 1 1614 196 196 GLU HB2 H 2.025 0.02 2 1615 196 196 GLU HB3 H 2.219 0.02 2 1616 196 196 GLU CA C 56.612 0.3 1 1617 196 196 GLU CB C 27.293 0.3 1 1618 196 196 GLU N N 121.173 0.3 1 1619 197 197 PHE H H 7.890 0.02 1 1620 197 197 PHE HA H 4.059 0.02 1 1621 197 197 PHE HB2 H 3.031 0.02 2 1622 197 197 PHE HB3 H 2.825 0.02 2 1623 197 197 PHE HD1 H 6.744 0.02 1 1624 197 197 PHE HD2 H 6.744 0.02 1 1625 197 197 PHE HE1 H 7.353 0.02 1 1626 197 197 PHE HE2 H 7.353 0.02 1 1627 197 197 PHE HZ H 7.355 0.02 1 1628 197 197 PHE CA C 59.518 0.3 1 1629 197 197 PHE CE1 C 131.679 0.3 1 1630 197 197 PHE CE2 C 131.679 0.3 1 1631 197 197 PHE N N 120.287 0.3 1 1632 198 198 SER H H 9.024 0.02 1 1633 198 198 SER HA H 4.755 0.02 1 1634 198 198 SER HB2 H 3.856 0.02 1 1635 198 198 SER HB3 H 3.856 0.02 1 1636 198 198 SER CB C 66.004 0.3 1 1637 198 198 SER N N 125.795 0.3 1 1638 199 199 LYS H H 8.452 0.02 1 1639 199 199 LYS HA H 3.854 0.02 1 1640 199 199 LYS HB2 H 1.825 0.02 2 1641 199 199 LYS HB3 H 1.836 0.02 2 1642 199 199 LYS HG2 H 1.484 0.02 1 1643 199 199 LYS HG3 H 1.484 0.02 1 1644 199 199 LYS CA C 59.996 0.3 1 1645 199 199 LYS N N 120.331 0.3 1 1646 200 200 LYS H H 7.781 0.02 1 1647 200 200 LYS HA H 4.102 0.02 1 1648 200 200 LYS CA C 58.241 0.3 1 1649 200 200 LYS N N 116.789 0.3 1 1650 201 201 ASP H H 7.845 0.02 1 1651 201 201 ASP HA H 4.412 0.02 1 1652 201 201 ASP HB2 H 2.968 0.02 1 1653 201 201 ASP HB3 H 2.968 0.02 1 1654 201 201 ASP N N 117.208 0.3 1 1655 202 202 ALA H H 7.321 0.02 1 1656 202 202 ALA HA H 4.414 0.02 1 1657 202 202 ALA HB H 1.564 0.02 1 1658 202 202 ALA CA C 52.838 0.3 1 1659 202 202 ALA CB C 19.196 0.3 1 1660 202 202 ALA N N 124.100 0.3 1 1661 203 203 GLY H H 8.523 0.02 1 1662 203 203 GLY HA2 H 3.826 0.02 1 1663 203 203 GLY HA3 H 3.826 0.02 1 1664 203 203 GLY CA C 45.149 0.3 1 1665 203 203 GLY N N 108.953 0.3 1 1666 204 204 PHE H H 9.047 0.02 1 1667 204 204 PHE HA H 5.122 0.02 1 1668 204 204 PHE HB2 H 2.865 0.02 2 1669 204 204 PHE HB3 H 3.026 0.02 2 1670 204 204 PHE HD1 H 7.176 0.02 1 1671 204 204 PHE HD2 H 7.176 0.02 1 1672 204 204 PHE HE1 H 7.357 0.02 1 1673 204 204 PHE HE2 H 7.357 0.02 1 1674 204 204 PHE CA C 57.619 0.3 1 1675 204 204 PHE CB C 39.445 0.3 1 1676 204 204 PHE CD1 C 131.449 0.3 1 1677 204 204 PHE CD2 C 131.449 0.3 1 1678 204 204 PHE CE1 C 131.484 0.3 1 1679 204 204 PHE CE2 C 131.484 0.3 1 1680 204 204 PHE N N 120.235 0.3 1 1681 205 205 TYR H H 9.468 0.02 1 1682 205 205 TYR HA H 5.559 0.02 1 1683 205 205 TYR HD1 H 7.129 0.02 1 1684 205 205 TYR HD2 H 7.129 0.02 1 1685 205 205 TYR HE1 H 6.819 0.02 1 1686 205 205 TYR HE2 H 6.819 0.02 1 1687 205 205 TYR HH H -0.764 0.02 1 1688 205 205 TYR CA C 57.200 0.3 1 1689 205 205 TYR N N 126.229 0.3 1 1690 206 206 GLU H H 9.194 0.02 1 1691 206 206 GLU HA H 5.589 0.02 1 1692 206 206 GLU HB2 H 2.183 0.02 2 1693 206 206 GLU HB3 H 2.025 0.02 2 1694 206 206 GLU HG2 H 2.515 0.02 1 1695 206 206 GLU HG3 H 2.515 0.02 1 1696 206 206 GLU CA C 54.140 0.3 1 1697 206 206 GLU N N 121.116 0.3 1 1698 207 207 VAL H H 8.549 0.02 1 1699 207 207 VAL HA H 5.260 0.02 1 1700 207 207 VAL HG1 H 0.435 0.02 2 1701 207 207 VAL HG2 H -0.265 0.02 2 1702 207 207 VAL CA C 59.428 0.3 1 1703 207 207 VAL CG1 C 20.044 0.3 2 1704 207 207 VAL CG2 C 20.584 0.3 2 1705 207 207 VAL N N 122.879 0.3 1 1706 208 208 ILE H H 8.873 0.02 1 1707 208 208 ILE HA H 5.071 0.02 1 1708 208 208 ILE HB H 1.919 0.02 1 1709 208 208 ILE HG12 H 1.657 0.02 2 1710 208 208 ILE HG13 H 1.175 0.02 2 1711 208 208 ILE HG2 H 0.964 0.02 1 1712 208 208 ILE HD1 H 0.767 0.02 1 1713 208 208 ILE CG1 C 28.300 0.3 1 1714 208 208 ILE CG2 C 17.917 0.3 1 1715 208 208 ILE CD1 C 13.483 0.3 1 1716 208 208 ILE N N 125.286 0.3 1 1717 209 209 LEU H H 8.445 0.02 1 1718 209 209 LEU HA H 5.330 0.02 1 1719 209 209 LEU HB2 H 1.707 0.02 1 1720 209 209 LEU HB3 H 1.707 0.02 1 1721 209 209 LEU HG H 1.162 0.02 1 1722 209 209 LEU HD1 H -0.452 0.02 2 1723 209 209 LEU HD2 H 0.392 0.02 2 1724 209 209 LEU CD1 C 24.357 0.3 2 1725 209 209 LEU CD2 C 24.373 0.3 2 1726 209 209 LEU N N 124.152 0.3 1 1727 210 210 LYS H H 8.698 0.02 1 1728 210 210 LYS HA H 5.366 0.02 1 1729 210 210 LYS HB2 H 1.850 0.02 1 1730 210 210 LYS HB3 H 1.850 0.02 1 1731 210 210 LYS CA C 56.373 0.3 1 1732 210 210 LYS N N 118.581 0.3 1 1733 211 211 ASP H H 8.903 0.02 1 1734 211 211 ASP HA H 4.762 0.02 1 1735 211 211 ASP N N 121.506 0.3 1 1736 212 212 ASP H H 8.933 0.02 1 1737 212 212 ASP HA H 4.350 0.02 1 1738 212 212 ASP HB2 H 2.976 0.02 1 1739 212 212 ASP HB3 H 2.976 0.02 1 1740 212 212 ASP CB C 40.257 0.3 1 1741 212 212 ASP N N 117.127 0.3 1 1742 213 213 ARG H H 9.436 0.02 1 1743 213 213 ARG HA H 4.300 0.02 1 1744 213 213 ARG HB2 H 1.930 0.02 2 1745 213 213 ARG HB3 H 1.846 0.02 2 1746 213 213 ARG HG2 H 1.649 0.02 1 1747 213 213 ARG HG3 H 1.649 0.02 1 1748 213 213 ARG HD2 H 3.189 0.02 1 1749 213 213 ARG HD3 H 3.189 0.02 1 1750 213 213 ARG CA C 56.408 0.3 1 1751 213 213 ARG N N 118.296 0.3 1 1752 214 214 GLY H H 7.504 0.02 1 1753 214 214 GLY HA2 H 3.856 0.02 2 1754 214 214 GLY HA3 H 4.470 0.02 2 1755 214 214 GLY CA C 45.076 0.3 1 1756 214 214 GLY N N 104.730 0.3 1 1757 215 215 LYS H H 7.864 0.02 1 1758 215 215 LYS HA H 5.644 0.02 1 1759 215 215 LYS HB2 H 1.841 0.02 2 1760 215 215 LYS HB3 H 1.850 0.02 2 1761 215 215 LYS CA C 54.270 0.3 1 1762 215 215 LYS CB C 36.653 0.3 1 1763 215 215 LYS N N 116.846 0.3 1 1764 216 216 ASP H H 9.054 0.02 1 1765 216 216 ASP HA H 5.335 0.02 1 1766 216 216 ASP HB2 H 3.134 0.02 2 1767 216 216 ASP HB3 H 3.173 0.02 2 1768 216 216 ASP CA C 52.741 0.3 1 1769 216 216 ASP CB C 45.571 0.3 1 1770 216 216 ASP N N 121.740 0.3 1 1771 217 217 LYS H H 8.623 0.02 1 1772 217 217 LYS HA H 5.711 0.02 1 1773 217 217 LYS HB2 H 1.349 0.02 2 1774 217 217 LYS HB3 H 1.802 0.02 2 1775 217 217 LYS CA C 55.549 0.3 1 1776 217 217 LYS CB C 36.702 0.3 1 1777 217 217 LYS N N 120.101 0.3 1 1778 218 218 SER H H 8.390 0.02 1 1779 218 218 SER HA H 4.541 0.02 1 1780 218 218 SER HB2 H 3.901 0.02 2 1781 218 218 SER HB3 H 3.910 0.02 2 1782 218 218 SER HG H 5.538 0.02 1 1783 218 218 SER CA C 55.722 0.3 1 1784 218 218 SER CB C 64.137 0.3 1 1785 218 218 SER N N 116.293 0.3 1 1786 219 219 ARG H H 8.335 0.02 1 1787 219 219 ARG HA H 5.556 0.02 1 1788 219 219 ARG HB2 H 1.794 0.02 1 1789 219 219 ARG HB3 H 1.794 0.02 1 1790 219 219 ARG HG2 H 1.612 0.02 2 1791 219 219 ARG HG3 H 1.670 0.02 2 1792 219 219 ARG CA C 54.695 0.3 1 1793 219 219 ARG CG C 27.429 0.3 1 1794 219 219 ARG N N 126.684 0.3 1 1795 220 220 LEU H H 9.551 0.02 1 1796 220 220 LEU HA H 4.699 0.02 1 1797 220 220 LEU HB2 H 1.789 0.02 2 1798 220 220 LEU HB3 H 1.515 0.02 2 1799 220 220 LEU HG H 1.532 0.02 1 1800 220 220 LEU HD1 H 0.891 0.02 2 1801 220 220 LEU HD2 H 1.081 0.02 2 1802 220 220 LEU CA C 54.920 0.3 1 1803 220 220 LEU CB C 47.370 0.3 1 1804 220 220 LEU CG C 27.160 0.3 1 1805 220 220 LEU CD1 C 27.154 0.3 2 1806 220 220 LEU CD2 C 23.874 0.3 2 1807 220 220 LEU N N 126.128 0.3 1 1808 221 221 LYS H H 8.825 0.02 1 1809 221 221 LYS HB2 H 1.788 0.02 1 1810 221 221 LYS HB3 H 1.788 0.02 1 1811 221 221 LYS HE2 H 2.869 0.02 1 1812 221 221 LYS HE3 H 2.869 0.02 1 1813 221 221 LYS N N 128.011 0.3 1 1814 222 222 LEU H H 8.907 0.02 1 1815 222 222 LEU HA H 4.532 0.02 1 1816 222 222 LEU HB2 H 1.559 0.02 2 1817 222 222 LEU HB3 H 1.631 0.02 2 1818 222 222 LEU HG H 1.234 0.02 1 1819 222 222 LEU HD1 H 0.136 0.02 2 1820 222 222 LEU HD2 H 0.137 0.02 2 1821 222 222 LEU CA C 53.646 0.3 1 1822 222 222 LEU CB C 43.015 0.3 1 1823 222 222 LEU CG C 27.004 0.3 1 1824 222 222 LEU CD1 C 23.923 0.3 2 1825 222 222 LEU CD2 C 24.262 0.3 2 1826 222 222 LEU N N 130.665 0.3 1 1827 223 223 VAL H H 7.878 0.02 1 1828 223 223 VAL HA H 4.437 0.02 1 1829 223 223 VAL HB H 2.199 0.02 1 1830 223 223 VAL HG1 H 0.871 0.02 2 1831 223 223 VAL HG2 H 0.846 0.02 2 1832 223 223 VAL CA C 60.432 0.3 1 1833 223 223 VAL CB C 33.909 0.3 1 1834 223 223 VAL CG1 C 21.581 0.3 2 1835 223 223 VAL CG2 C 19.613 0.3 2 1836 223 223 VAL N N 119.199 0.3 1 1837 224 224 ASP H H 8.557 0.02 1 1838 224 224 ASP HA H 4.363 0.02 1 1839 224 224 ASP HB2 H 2.593 0.02 1 1840 224 224 ASP HB3 H 2.593 0.02 1 1841 224 224 ASP CA C 55.998 0.3 1 1842 224 224 ASP CB C 40.879 0.3 1 1843 224 224 ASP N N 121.790 0.3 1 1844 225 225 GLU H H 8.635 0.02 1 1845 225 225 GLU HA H 4.091 0.02 1 1846 225 225 GLU HB2 H 2.007 0.02 2 1847 225 225 GLU HB3 H 1.872 0.02 2 1848 225 225 GLU HG2 H 2.244 0.02 2 1849 225 225 GLU HG3 H 2.254 0.02 2 1850 225 225 GLU CA C 58.138 0.3 1 1851 225 225 GLU CB C 29.309 0.3 1 1852 225 225 GLU CG C 36.339 0.3 1 1853 225 225 GLU N N 119.636 0.3 1 1854 226 226 ALA H H 7.787 0.02 1 1855 226 226 ALA HA H 4.117 0.02 1 1856 226 226 ALA HB H 1.063 0.02 1 1857 226 226 ALA CA C 53.310 0.3 1 1858 226 226 ALA CB C 18.451 0.3 1 1859 226 226 ALA N N 121.609 0.3 1 1860 227 227 PHE H H 7.601 0.02 1 1861 227 227 PHE HA H 4.534 0.02 1 1862 227 227 PHE HB2 H 3.145 0.02 2 1863 227 227 PHE HB3 H 2.810 0.02 2 1864 227 227 PHE HD1 H 6.968 0.02 1 1865 227 227 PHE HD2 H 6.968 0.02 1 1866 227 227 PHE HE1 H 6.753 0.02 1 1867 227 227 PHE HE2 H 6.753 0.02 1 1868 227 227 PHE CA C 57.583 0.3 1 1869 227 227 PHE CB C 39.157 0.3 1 1870 227 227 PHE CE1 C 131.597 0.3 1 1871 227 227 PHE CE2 C 131.597 0.3 1 1872 227 227 PHE N N 116.127 0.3 1 1873 228 228 GLN H H 7.876 0.02 1 1874 228 228 GLN HA H 4.198 0.02 1 1875 228 228 GLN HB2 H 2.084 0.02 2 1876 228 228 GLN HB3 H 2.031 0.02 2 1877 228 228 GLN HG2 H 2.352 0.02 2 1878 228 228 GLN HG3 H 2.343 0.02 2 1879 228 228 GLN HE21 H 7.573 0.02 1 1880 228 228 GLN HE22 H 6.846 0.02 1 1881 228 228 GLN CA C 56.908 0.3 1 1882 228 228 GLN CB C 29.213 0.3 1 1883 228 228 GLN CG C 33.752 0.3 1 1884 228 228 GLN N N 119.932 0.3 1 1885 228 228 GLN NE2 N 112.316 0.3 1 1886 229 229 ASP H H 8.350 0.02 1 1887 229 229 ASP HA H 4.624 0.02 1 1888 229 229 ASP HB2 H 2.621 0.02 2 1889 229 229 ASP HB3 H 2.775 0.02 2 1890 229 229 ASP CA C 54.896 0.3 1 1891 229 229 ASP CB C 40.781 0.3 1 1892 229 229 ASP N N 119.391 0.3 1 1893 230 230 LEU H H 7.927 0.02 1 1894 230 230 LEU HA H 4.393 0.02 1 1895 230 230 LEU HB2 H 1.690 0.02 2 1896 230 230 LEU HB3 H 1.693 0.02 2 1897 230 230 LEU HG H 1.673 0.02 1 1898 230 230 LEU HD1 H 0.882 0.02 2 1899 230 230 LEU HD2 H 0.852 0.02 2 1900 230 230 LEU CA C 55.153 0.3 1 1901 230 230 LEU CB C 42.572 0.3 1 1902 230 230 LEU CG C 26.967 0.3 1 1903 230 230 LEU CD1 C 25.440 0.3 2 1904 230 230 LEU CD2 C 23.289 0.3 2 1905 230 230 LEU N N 120.931 0.3 1 1906 231 231 MET H H 7.710 0.02 1 1907 231 231 MET HA H 4.284 0.02 1 1908 231 231 MET HB2 H 2.101 0.02 2 1909 231 231 MET HB3 H 1.986 0.02 2 1910 231 231 MET HG2 H 2.511 0.02 2 1911 231 231 MET HG3 H 2.569 0.02 2 1912 231 231 MET HE H 2.038 0.02 1 1913 231 231 MET CA C 56.975 0.3 1 1914 231 231 MET CB C 34.009 0.3 1 1915 231 231 MET CG C 32.486 0.3 1 1916 231 231 MET CE C 17.166 0.3 1 1917 231 231 MET N N 125.061 0.3 1 stop_ save_