data_25432 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR assignment of the 6th TOG domain of minispindles ; _BMRB_accession_number 25432 _BMRB_flat_file_name bmr25432.str _Entry_type original _Submission_date 2015-01-16 _Accession_date 2015-01-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignment for an as yet unidentified TOG domain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Burgess Selena . . 2 Bayliss Richard . . 3 Pfuhl Mark . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1499 "13C chemical shifts" 1120 "15N chemical shifts" 253 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-30 original BMRB . stop_ _Original_release_date 2016-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR assignment of the cryptic sixth TOG domain of mini spindles ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25971232 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Burgess Selena . . 2 Bayliss Richard . . 3 Pfuhl Mark . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 411 _Page_last 413 _Year 2015 _Details . loop_ _Keyword TACC3 XMAP215 mitosis stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TOG _Enzyme_commission_number n.a. loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight 29600 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'TOG domain' save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TOG6 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'cell cycle' 'tubulin polymerase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 261 _Mol_residue_sequence ; ADVLPKHDPQLVKVIKGVSS TDTLKARAAINELAAIIEAP EKQAVLRDYEEIFIQNVLAQ FKNLSQIPSAQSVVVYQPLL SILYTFFHANILGKTLSVAC IKNLMSALLNLMADPKLAVG DDSQYNKVINGICLKVLDKV DFTNLNCALIRLLRETCPEA KLPKFTDLLMKCIWRNVKML PERSNELNYDAVILEVHEFM LALPSTWWQNRPSDTPMRTI KTILHNMAKVKGNAILQHLN QIPTHSELHTYLIRILKNFQ K ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 VAL 4 LEU 5 PRO 6 LYS 7 HIS 8 ASP 9 PRO 10 GLN 11 LEU 12 VAL 13 LYS 14 VAL 15 ILE 16 LYS 17 GLY 18 VAL 19 SER 20 SER 21 THR 22 ASP 23 THR 24 LEU 25 LYS 26 ALA 27 ARG 28 ALA 29 ALA 30 ILE 31 ASN 32 GLU 33 LEU 34 ALA 35 ALA 36 ILE 37 ILE 38 GLU 39 ALA 40 PRO 41 GLU 42 LYS 43 GLN 44 ALA 45 VAL 46 LEU 47 ARG 48 ASP 49 TYR 50 GLU 51 GLU 52 ILE 53 PHE 54 ILE 55 GLN 56 ASN 57 VAL 58 LEU 59 ALA 60 GLN 61 PHE 62 LYS 63 ASN 64 LEU 65 SER 66 GLN 67 ILE 68 PRO 69 SER 70 ALA 71 GLN 72 SER 73 VAL 74 VAL 75 VAL 76 TYR 77 GLN 78 PRO 79 LEU 80 LEU 81 SER 82 ILE 83 LEU 84 TYR 85 THR 86 PHE 87 PHE 88 HIS 89 ALA 90 ASN 91 ILE 92 LEU 93 GLY 94 LYS 95 THR 96 LEU 97 SER 98 VAL 99 ALA 100 CYS 101 ILE 102 LYS 103 ASN 104 LEU 105 MET 106 SER 107 ALA 108 LEU 109 LEU 110 ASN 111 LEU 112 MET 113 ALA 114 ASP 115 PRO 116 LYS 117 LEU 118 ALA 119 VAL 120 GLY 121 ASP 122 ASP 123 SER 124 GLN 125 TYR 126 ASN 127 LYS 128 VAL 129 ILE 130 ASN 131 GLY 132 ILE 133 CYS 134 LEU 135 LYS 136 VAL 137 LEU 138 ASP 139 LYS 140 VAL 141 ASP 142 PHE 143 THR 144 ASN 145 LEU 146 ASN 147 CYS 148 ALA 149 LEU 150 ILE 151 ARG 152 LEU 153 LEU 154 ARG 155 GLU 156 THR 157 CYS 158 PRO 159 GLU 160 ALA 161 LYS 162 LEU 163 PRO 164 LYS 165 PHE 166 THR 167 ASP 168 LEU 169 LEU 170 MET 171 LYS 172 CYS 173 ILE 174 TRP 175 ARG 176 ASN 177 VAL 178 LYS 179 MET 180 LEU 181 PRO 182 GLU 183 ARG 184 SER 185 ASN 186 GLU 187 LEU 188 ASN 189 TYR 190 ASP 191 ALA 192 VAL 193 ILE 194 LEU 195 GLU 196 VAL 197 HIS 198 GLU 199 PHE 200 MET 201 LEU 202 ALA 203 LEU 204 PRO 205 SER 206 THR 207 TRP 208 TRP 209 GLN 210 ASN 211 ARG 212 PRO 213 SER 214 ASP 215 THR 216 PRO 217 MET 218 ARG 219 THR 220 ILE 221 LYS 222 THR 223 ILE 224 LEU 225 HIS 226 ASN 227 MET 228 ALA 229 LYS 230 VAL 231 LYS 232 GLY 233 ASN 234 ALA 235 ILE 236 LEU 237 GLN 238 HIS 239 LEU 240 ASN 241 GLN 242 ILE 243 PRO 244 THR 245 HIS 246 SER 247 GLU 248 LEU 249 HIS 250 THR 251 TYR 252 LEU 253 ILE 254 ARG 255 ILE 256 LEU 257 LYS 258 ASN 259 PHE 260 GLN 261 LYS 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 Q9U5W6 'mini spindles' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 'mini spindles' 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 $entity 'recombinant technology' . Escherichia coli BL21 BL21* pLEICS03 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 250 uM '[U-98% 15N]' DTT 2 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 250 uM '[U-95% 13C; U-95% 15N]' DTT 2 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 5 M pH 7.2 0.1 pH pressure 1 . atm temperature 298 0.5 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 . loop_ _Experiment_label '3D HNCACB' '3D HNCO' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA H H 8.138 0.019 1 2 1 1 ALA HA H 4.300 0.010 1 3 1 1 ALA HB H 1.263 0.003 1 4 1 1 ALA C C 177.275 0.000 1 5 1 1 ALA CA C 52.555 0.194 1 6 1 1 ALA CB C 19.424 0.122 1 7 1 1 ALA N N 124.446 0.067 1 8 2 2 ASP H H 8.109 0.004 1 9 2 2 ASP HA H 4.464 0.005 1 10 2 2 ASP HB2 H 2.613 0.005 1 11 2 2 ASP HB3 H 2.471 0.010 1 12 2 2 ASP C C 175.947 0.000 1 13 2 2 ASP CA C 54.609 0.128 1 14 2 2 ASP CB C 41.266 0.025 1 15 2 2 ASP N N 119.107 0.088 1 16 3 3 VAL H H 7.805 0.010 1 17 3 3 VAL HA H 4.022 0.005 1 18 3 3 VAL HB H 1.957 0.003 1 19 3 3 VAL HG1 H 0.794 0.003 1 20 3 3 VAL HG2 H 0.797 0.003 1 21 3 3 VAL C C 175.849 0.000 1 22 3 3 VAL CA C 61.956 0.093 1 23 3 3 VAL CB C 32.730 0.082 1 24 3 3 VAL CG1 C 20.386 0.021 1 25 3 3 VAL CG2 C 20.386 0.012 1 26 3 3 VAL N N 118.902 0.129 1 27 4 4 LEU H H 8.174 0.005 1 28 4 4 LEU HA H 4.497 0.009 1 29 4 4 LEU HB2 H 1.409 0.006 1 30 4 4 LEU HB3 H 1.410 0.001 1 31 4 4 LEU HG H 1.541 0.005 1 32 4 4 LEU HD1 H 0.778 0.004 1 33 4 4 LEU HD2 H 0.802 0.002 1 34 4 4 LEU CA C 52.886 0.067 1 35 4 4 LEU CB C 41.666 0.064 1 36 4 4 LEU CG C 27.107 0.086 1 37 4 4 LEU CD1 C 23.359 0.031 1 38 4 4 LEU CD2 C 25.184 0.000 1 39 4 4 LEU N N 126.890 0.050 1 40 5 5 PRO HA H 4.250 0.004 1 41 5 5 PRO HB2 H 1.637 0.004 1 42 5 5 PRO HB3 H 2.111 0.003 1 43 5 5 PRO HG2 H 1.875 0.001 1 44 5 5 PRO HG3 H 1.875 0.001 1 45 5 5 PRO HD2 H 3.716 0.005 1 46 5 5 PRO HD3 H 3.510 0.004 1 47 5 5 PRO C C 176.686 0.000 1 48 5 5 PRO CA C 63.088 0.068 1 49 5 5 PRO CB C 32.049 0.036 1 50 5 5 PRO CG C 27.409 0.013 1 51 5 5 PRO CD C 50.581 0.013 1 52 6 6 LYS H H 8.128 0.008 1 53 6 6 LYS HA H 4.138 0.005 1 54 6 6 LYS HB2 H 1.584 0.009 1 55 6 6 LYS HB3 H 1.642 0.003 1 56 6 6 LYS HG2 H 1.232 0.006 1 57 6 6 LYS HG3 H 1.232 0.006 1 58 6 6 LYS HD2 H 1.533 0.000 1 59 6 6 LYS HD3 H 1.533 0.000 1 60 6 6 LYS HE2 H 2.862 0.008 1 61 6 6 LYS HE3 H 2.862 0.008 1 62 6 6 LYS C C 176.163 0.000 1 63 6 6 LYS CA C 55.980 0.072 1 64 6 6 LYS CB C 32.741 0.063 1 65 6 6 LYS CG C 24.518 0.000 1 66 6 6 LYS CD C 28.849 0.000 1 67 6 6 LYS CE C 41.902 0.000 1 68 6 6 LYS N N 120.359 0.063 1 69 7 7 HIS H H 8.007 0.013 1 70 7 7 HIS HA H 4.581 0.010 1 71 7 7 HIS HB2 H 2.904 0.013 1 72 7 7 HIS HB3 H 2.886 0.011 1 73 7 7 HIS HD2 H 6.552 0.008 1 74 7 7 HIS CA C 55.583 0.071 1 75 7 7 HIS CB C 32.241 0.044 1 76 7 7 HIS CD2 C 118.494 0.000 1 77 7 7 HIS N N 120.275 0.090 1 78 8 8 ASP HA H 4.842 0.012 1 79 8 8 ASP HB2 H 2.481 0.004 1 80 8 8 ASP HB3 H 2.742 0.013 1 81 8 8 ASP CA C 51.223 0.035 1 82 8 8 ASP CB C 41.856 0.021 1 83 9 9 PRO HA H 4.144 0.006 1 84 9 9 PRO HB2 H 2.291 0.008 1 85 9 9 PRO HB3 H 1.874 0.008 1 86 9 9 PRO HG2 H 2.007 0.021 1 87 9 9 PRO HG3 H 1.978 0.007 1 88 9 9 PRO HD2 H 3.804 0.006 1 89 9 9 PRO HD3 H 3.804 0.006 1 90 9 9 PRO C C 179.001 0.000 1 91 9 9 PRO CA C 64.425 0.078 1 92 9 9 PRO CB C 32.264 0.055 1 93 9 9 PRO CG C 27.372 0.028 1 94 9 9 PRO CD C 51.066 0.000 1 95 10 10 GLN H H 8.165 0.006 1 96 10 10 GLN HA H 3.954 0.026 1 97 10 10 GLN HB2 H 1.989 0.011 1 98 10 10 GLN HB3 H 1.998 0.000 1 99 10 10 GLN HG2 H 2.264 0.004 1 100 10 10 GLN HG3 H 2.266 0.002 1 101 10 10 GLN C C 178.013 0.000 1 102 10 10 GLN CA C 58.471 0.064 1 103 10 10 GLN CB C 28.229 0.065 1 104 10 10 GLN CG C 33.929 0.000 1 105 10 10 GLN N N 118.234 0.056 1 106 11 11 LEU H H 7.450 0.010 1 107 11 11 LEU HA H 3.900 0.007 1 108 11 11 LEU HB2 H 1.218 0.011 1 109 11 11 LEU HB3 H 1.340 0.008 1 110 11 11 LEU HG H 1.099 0.015 1 111 11 11 LEU HD1 H 0.594 0.014 1 112 11 11 LEU HD2 H 0.389 0.014 1 113 11 11 LEU C C 178.539 0.000 1 114 11 11 LEU CA C 57.327 0.027 1 115 11 11 LEU CB C 41.515 0.079 1 116 11 11 LEU CG C 27.012 0.000 1 117 11 11 LEU CD1 C 23.469 0.018 1 118 11 11 LEU CD2 C 25.363 0.027 1 119 11 11 LEU N N 120.744 0.055 1 120 12 12 VAL H H 7.516 0.012 1 121 12 12 VAL HA H 3.157 0.006 1 122 12 12 VAL HB H 1.849 0.008 1 123 12 12 VAL HG1 H 0.775 0.005 1 124 12 12 VAL HG2 H 0.775 0.004 1 125 12 12 VAL C C 177.561 0.000 1 126 12 12 VAL CA C 67.253 0.007 1 127 12 12 VAL CB C 31.647 0.000 1 128 12 12 VAL CG1 C 21.400 0.040 1 129 12 12 VAL CG2 C 21.410 0.035 1 130 12 12 VAL N N 116.739 0.060 1 131 13 13 LYS H H 7.311 0.010 1 132 13 13 LYS HA H 3.762 0.004 1 133 13 13 LYS HB2 H 1.785 0.001 1 134 13 13 LYS HB3 H 1.785 0.001 1 135 13 13 LYS HG2 H 1.240 0.006 1 136 13 13 LYS HG3 H 1.402 0.008 1 137 13 13 LYS HD2 H 1.538 0.001 1 138 13 13 LYS HD3 H 1.538 0.001 1 139 13 13 LYS HE2 H 2.822 0.005 1 140 13 13 LYS HE3 H 2.822 0.005 1 141 13 13 LYS C C 179.590 0.000 1 142 13 13 LYS CA C 59.843 0.076 1 143 13 13 LYS CB C 32.329 0.094 1 144 13 13 LYS CG C 25.212 0.034 1 145 13 13 LYS CD C 29.353 0.013 1 146 13 13 LYS CE C 41.875 0.000 1 147 13 13 LYS N N 117.880 0.087 1 148 14 14 VAL H H 7.366 0.010 1 149 14 14 VAL HA H 3.583 0.029 1 150 14 14 VAL HB H 2.014 0.024 1 151 14 14 VAL HG1 H 0.911 0.003 1 152 14 14 VAL HG2 H 0.787 0.003 1 153 14 14 VAL C C 177.398 0.000 1 154 14 14 VAL CA C 66.307 0.098 1 155 14 14 VAL CB C 31.781 0.090 1 156 14 14 VAL CG1 C 22.550 0.024 1 157 14 14 VAL CG2 C 22.555 0.051 1 158 14 14 VAL N N 120.406 0.042 1 159 15 15 ILE H H 7.828 0.010 1 160 15 15 ILE HA H 3.395 0.010 1 161 15 15 ILE HB H 1.709 0.008 1 162 15 15 ILE HG12 H 1.007 0.003 1 163 15 15 ILE HG13 H 1.007 0.003 1 164 15 15 ILE HG2 H 0.826 0.014 1 165 15 15 ILE HD1 H 0.617 0.013 1 166 15 15 ILE C C 178.137 0.000 1 167 15 15 ILE CA C 66.241 0.110 1 168 15 15 ILE CB C 38.101 0.065 1 169 15 15 ILE CG1 C 23.359 0.036 1 170 15 15 ILE CG2 C 18.539 0.021 1 171 15 15 ILE CD1 C 14.516 0.032 1 172 15 15 ILE N N 118.001 0.076 1 173 16 16 LYS H H 8.240 0.007 1 174 16 16 LYS HA H 3.895 0.010 1 175 16 16 LYS HB2 H 1.675 0.006 1 176 16 16 LYS HG2 H 1.475 0.011 1 177 16 16 LYS HG3 H 1.475 0.011 1 178 16 16 LYS HE2 H 2.845 0.000 1 179 16 16 LYS HE3 H 2.845 0.000 1 180 16 16 LYS C C 179.917 0.000 1 181 16 16 LYS CA C 58.712 0.017 1 182 16 16 LYS CB C 32.081 0.081 1 183 16 16 LYS CG C 25.203 0.000 1 184 16 16 LYS CE C 41.917 0.000 1 185 16 16 LYS N N 116.679 0.056 1 186 17 17 GLY H H 7.687 0.009 1 187 17 17 GLY HA2 H 3.591 0.010 1 188 17 17 GLY HA3 H 3.593 0.009 1 189 17 17 GLY C C 175.415 0.000 1 190 17 17 GLY CA C 46.760 0.129 1 191 17 17 GLY N N 107.745 0.050 1 192 18 18 VAL H H 7.471 0.009 1 193 18 18 VAL HA H 3.424 0.005 1 194 18 18 VAL HB H 2.143 0.020 1 195 18 18 VAL HG1 H 0.881 0.010 1 196 18 18 VAL HG2 H 0.530 0.011 1 197 18 18 VAL C C 175.561 0.000 1 198 18 18 VAL CA C 65.439 0.049 1 199 18 18 VAL CB C 31.684 0.059 1 200 18 18 VAL CG1 C 23.926 0.073 1 201 18 18 VAL CG2 C 20.901 0.031 1 202 18 18 VAL N N 119.378 0.057 1 203 19 19 SER H H 7.346 0.005 1 204 19 19 SER HA H 4.150 0.008 1 205 19 19 SER HB2 H 3.988 0.018 1 206 19 19 SER HB3 H 3.988 0.018 1 207 19 19 SER C C 174.074 0.000 1 208 19 19 SER CA C 58.370 0.206 1 209 19 19 SER CB C 64.527 0.085 1 210 19 19 SER N N 108.048 0.056 1 211 20 20 SER H H 7.184 0.006 1 212 20 20 SER HA H 4.028 0.003 1 213 20 20 SER HB2 H 3.573 0.006 1 214 20 20 SER HB3 H 3.573 0.005 1 215 20 20 SER C C 177.524 0.000 1 216 20 20 SER CA C 59.918 0.118 1 217 20 20 SER CB C 63.616 0.120 1 218 20 20 SER N N 116.019 0.059 1 219 21 21 THR H H 8.233 0.017 1 220 21 21 THR HA H 3.758 0.005 1 221 21 21 THR HB H 3.945 0.006 1 222 21 21 THR HG2 H 1.123 0.008 1 223 21 21 THR C C 174.893 0.000 1 224 21 21 THR CA C 65.096 0.040 1 225 21 21 THR CB C 68.469 0.104 1 226 21 21 THR CG2 C 21.950 0.043 1 227 21 21 THR N N 116.549 0.061 1 228 22 22 ASP H H 8.117 0.004 1 229 22 22 ASP HA H 4.639 0.010 1 230 22 22 ASP HB2 H 2.865 0.007 1 231 22 22 ASP HB3 H 2.412 0.005 1 232 22 22 ASP C C 176.980 0.000 1 233 22 22 ASP CA C 53.166 0.002 1 234 22 22 ASP CB C 41.318 0.053 1 235 22 22 ASP N N 122.896 0.095 1 236 23 23 THR H H 8.452 0.007 1 237 23 23 THR HA H 4.590 0.000 1 238 23 23 THR HB H 3.896 0.028 1 239 23 23 THR HG2 H 1.160 0.022 1 240 23 23 THR C C 177.317 0.000 1 241 23 23 THR CA C 64.142 0.000 1 242 23 23 THR CB C 68.852 0.000 1 243 23 23 THR CG2 C 22.655 0.000 1 244 23 23 THR N N 117.997 0.045 1 245 24 24 LEU H H 8.001 0.006 1 246 24 24 LEU HA H 4.034 0.009 1 247 24 24 LEU HB2 H 1.443 0.003 1 248 24 24 LEU HB3 H 1.837 0.005 1 249 24 24 LEU HG H 1.565 0.006 1 250 24 24 LEU HD1 H 0.742 0.016 1 251 24 24 LEU HD2 H 0.831 0.008 1 252 24 24 LEU C C 180.546 0.000 1 253 24 24 LEU CA C 58.393 0.051 1 254 24 24 LEU CB C 40.881 0.098 1 255 24 24 LEU CG C 27.292 0.014 1 256 24 24 LEU CD1 C 23.362 0.028 1 257 24 24 LEU CD2 C 24.839 0.037 1 258 24 24 LEU N N 123.620 0.086 1 259 25 25 LYS H H 7.524 0.004 1 260 25 25 LYS HA H 3.922 0.009 1 261 25 25 LYS HB2 H 1.837 0.028 1 262 25 25 LYS HB3 H 1.901 0.001 1 263 25 25 LYS HG2 H 1.408 0.014 1 264 25 25 LYS HG3 H 1.265 0.008 1 265 25 25 LYS HE2 H 2.852 0.004 1 266 25 25 LYS HE3 H 2.850 0.003 1 267 25 25 LYS C C 180.048 0.000 1 268 25 25 LYS CA C 59.406 0.099 1 269 25 25 LYS CB C 32.107 0.009 1 270 25 25 LYS CG C 25.195 0.000 1 271 25 25 LYS CE C 42.012 0.000 1 272 25 25 LYS N N 122.315 0.044 1 273 26 26 ALA H H 8.454 0.009 1 274 26 26 ALA HA H 4.307 0.006 1 275 26 26 ALA HB H 1.288 0.013 1 276 26 26 ALA C C 179.970 0.000 1 277 26 26 ALA CA C 54.872 0.105 1 278 26 26 ALA CB C 18.172 0.091 1 279 26 26 ALA N N 122.199 0.045 1 280 27 27 ARG H H 7.850 0.010 1 281 27 27 ARG HA H 3.736 0.016 1 282 27 27 ARG HB2 H 1.839 0.006 1 283 27 27 ARG HB3 H 1.836 0.003 1 284 27 27 ARG HG2 H 1.677 0.010 1 285 27 27 ARG HG3 H 1.681 0.013 1 286 27 27 ARG HD2 H 3.101 0.009 1 287 27 27 ARG HD3 H 3.103 0.009 1 288 27 27 ARG C C 178.125 0.000 1 289 27 27 ARG CA C 60.077 0.055 1 290 27 27 ARG CB C 30.663 0.032 1 291 27 27 ARG CG C 28.489 0.000 1 292 27 27 ARG CD C 43.792 0.000 1 293 27 27 ARG N N 114.949 0.053 1 294 28 28 ALA H H 7.671 0.006 1 295 28 28 ALA HA H 4.050 0.011 1 296 28 28 ALA HB H 1.424 0.005 1 297 28 28 ALA C C 180.378 0.000 1 298 28 28 ALA CA C 55.427 0.055 1 299 28 28 ALA CB C 17.900 0.052 1 300 28 28 ALA N N 121.170 0.042 1 301 29 29 ALA H H 7.832 0.007 1 302 29 29 ALA HA H 4.052 0.013 1 303 29 29 ALA HB H 1.427 0.011 1 304 29 29 ALA C C 179.258 0.000 1 305 29 29 ALA CA C 55.287 0.125 1 306 29 29 ALA CB C 18.168 0.005 1 307 29 29 ALA N N 122.769 0.070 1 308 30 30 ILE H H 8.326 0.005 1 309 30 30 ILE HA H 3.277 0.008 1 310 30 30 ILE HB H 1.789 0.008 1 311 30 30 ILE HG12 H 1.555 0.012 1 312 30 30 ILE HG13 H 1.546 0.018 1 313 30 30 ILE HG2 H 0.597 0.018 1 314 30 30 ILE HD1 H 0.891 0.009 1 315 30 30 ILE C C 177.206 0.000 1 316 30 30 ILE CA C 65.960 0.088 1 317 30 30 ILE CB C 38.404 0.136 1 318 30 30 ILE CG1 C 28.617 0.000 1 319 30 30 ILE CG2 C 18.868 0.038 1 320 30 30 ILE CD1 C 15.148 0.022 1 321 30 30 ILE N N 117.373 0.053 1 322 31 31 ASN H H 8.036 0.006 1 323 31 31 ASN HA H 4.365 0.004 1 324 31 31 ASN HB2 H 2.783 0.004 1 325 31 31 ASN HB3 H 2.688 0.010 1 326 31 31 ASN HD21 H 7.456 0.002 1 327 31 31 ASN HD22 H 6.612 0.006 1 328 31 31 ASN C C 178.371 0.000 1 329 31 31 ASN CA C 55.992 0.073 1 330 31 31 ASN CB C 38.140 0.121 1 331 31 31 ASN CG C 175.872 0.000 1 332 31 31 ASN N N 116.554 0.062 1 333 31 31 ASN ND2 N 110.813 0.055 1 334 32 32 GLU H H 7.875 0.007 1 335 32 32 GLU HA H 3.939 0.020 1 336 32 32 GLU HB2 H 2.053 0.011 1 337 32 32 GLU HB3 H 1.924 0.009 1 338 32 32 GLU HG2 H 2.255 0.005 1 339 32 32 GLU HG3 H 2.053 0.002 1 340 32 32 GLU C C 179.382 0.000 1 341 32 32 GLU CA C 59.521 0.040 1 342 32 32 GLU CB C 29.432 0.051 1 343 32 32 GLU CG C 36.272 0.019 1 344 32 32 GLU N N 121.333 0.042 1 345 33 33 LEU H H 8.242 0.005 1 346 33 33 LEU HA H 3.899 0.011 1 347 33 33 LEU HB2 H 1.380 0.027 1 348 33 33 LEU HB3 H 1.565 0.010 1 349 33 33 LEU HD1 H 0.647 0.015 1 350 33 33 LEU HD2 H 0.782 0.020 1 351 33 33 LEU C C 178.617 0.000 1 352 33 33 LEU CA C 57.221 0.001 1 353 33 33 LEU CB C 41.481 0.040 1 354 33 33 LEU CD1 C 23.137 0.032 1 355 33 33 LEU N N 119.896 0.042 1 356 34 34 ALA H H 8.779 0.004 1 357 34 34 ALA HA H 3.746 0.018 1 358 34 34 ALA HB H 1.402 0.015 1 359 34 34 ALA C C 179.086 0.000 1 360 34 34 ALA CA C 55.511 0.079 1 361 34 34 ALA CB C 17.832 0.092 1 362 34 34 ALA N N 122.299 0.057 1 363 35 35 ALA H H 6.981 0.006 1 364 35 35 ALA HA H 4.044 0.003 1 365 35 35 ALA HB H 1.388 0.009 1 366 35 35 ALA C C 180.302 0.000 1 367 35 35 ALA CA C 54.222 0.046 1 368 35 35 ALA CB C 18.322 0.009 1 369 35 35 ALA N N 116.708 0.055 1 370 36 36 ILE H H 7.300 0.010 1 371 36 36 ILE HA H 3.623 0.011 1 372 36 36 ILE HB H 1.910 0.010 1 373 36 36 ILE HG12 H 1.718 0.016 1 374 36 36 ILE HG13 H 1.754 0.026 1 375 36 36 ILE HG2 H 0.634 0.015 1 376 36 36 ILE HD1 H 0.689 0.009 1 377 36 36 ILE C C 176.818 0.000 1 378 36 36 ILE CA C 64.728 0.103 1 379 36 36 ILE CB C 38.552 0.042 1 380 36 36 ILE CG1 C 28.860 0.056 1 381 36 36 ILE CG2 C 17.514 0.025 1 382 36 36 ILE CD1 C 13.632 0.018 1 383 36 36 ILE N N 118.283 0.078 1 384 37 37 ILE H H 7.847 0.005 1 385 37 37 ILE HA H 3.373 0.004 1 386 37 37 ILE HB H 1.573 0.017 1 387 37 37 ILE HG12 H 1.425 0.040 1 388 37 37 ILE HG13 H 1.318 0.025 1 389 37 37 ILE HG2 H 0.700 0.013 1 390 37 37 ILE HD1 H 0.556 0.011 1 391 37 37 ILE C C 176.372 0.000 1 392 37 37 ILE CA C 64.589 0.051 1 393 37 37 ILE CB C 38.382 0.020 1 394 37 37 ILE CG1 C 25.193 0.017 1 395 37 37 ILE CG2 C 18.103 0.036 1 396 37 37 ILE CD1 C 14.478 0.019 1 397 37 37 ILE N N 114.617 0.040 1 398 38 38 GLU H H 7.529 0.002 1 399 38 38 GLU HA H 3.919 0.003 1 400 38 38 GLU HB2 H 1.986 0.010 1 401 38 38 GLU HB3 H 1.876 0.006 1 402 38 38 GLU HG2 H 2.320 0.009 1 403 38 38 GLU HG3 H 2.164 0.005 1 404 38 38 GLU CA C 57.436 0.047 1 405 38 38 GLU CB C 30.213 0.049 1 406 38 38 GLU CG C 36.900 0.015 1 407 38 38 GLU N N 115.144 0.050 1 408 39 39 ALA H H 7.155 0.006 1 409 39 39 ALA HA H 4.759 0.004 1 410 39 39 ALA HB H 1.384 0.005 1 411 39 39 ALA CA C 49.134 0.086 1 412 39 39 ALA CB C 18.740 0.061 1 413 39 39 ALA N N 123.682 0.047 1 414 40 40 PRO HA H 3.951 0.011 1 415 40 40 PRO HB2 H 2.274 0.008 1 416 40 40 PRO HB3 H 1.899 0.009 1 417 40 40 PRO HG2 H 1.907 0.010 1 418 40 40 PRO HG3 H 2.088 0.008 1 419 40 40 PRO HD2 H 4.202 0.005 1 420 40 40 PRO HD3 H 3.835 0.009 1 421 40 40 PRO C C 178.700 0.000 1 422 40 40 PRO CA C 65.506 0.050 1 423 40 40 PRO CB C 32.116 0.028 1 424 40 40 PRO CG C 27.818 0.044 1 425 40 40 PRO CD C 51.115 0.017 1 426 41 41 GLU H H 9.533 0.006 1 427 41 41 GLU HA H 4.176 0.007 1 428 41 41 GLU HB2 H 1.961 0.009 1 429 41 41 GLU HB3 H 1.960 0.012 1 430 41 41 GLU HG2 H 2.288 0.004 1 431 41 41 GLU HG3 H 2.121 0.005 1 432 41 41 GLU C C 177.298 0.000 1 433 41 41 GLU CA C 58.306 0.112 1 434 41 41 GLU CB C 28.688 0.052 1 435 41 41 GLU CG C 36.310 0.032 1 436 41 41 GLU N N 115.609 0.048 1 437 42 42 LYS H H 7.535 0.011 1 438 42 42 LYS HA H 4.415 0.006 1 439 42 42 LYS HB2 H 2.151 0.004 1 440 42 42 LYS HB3 H 2.278 0.001 1 441 42 42 LYS HG2 H 1.371 0.011 1 442 42 42 LYS HG3 H 1.255 0.003 1 443 42 42 LYS HD2 H 1.746 0.006 1 444 42 42 LYS HD3 H 1.748 0.003 1 445 42 42 LYS HE2 H 2.837 0.010 1 446 42 42 LYS HE3 H 2.837 0.010 1 447 42 42 LYS CA C 56.265 0.059 1 448 42 42 LYS CB C 33.871 0.023 1 449 42 42 LYS CG C 25.467 0.000 1 450 42 42 LYS CD C 30.172 0.004 1 451 42 42 LYS CE C 41.994 0.000 1 452 42 42 LYS N N 117.682 0.045 1 453 43 43 GLN H H 7.701 0.003 1 454 43 43 GLN HA H 3.662 0.004 1 455 43 43 GLN HB2 H 1.973 0.020 1 456 43 43 GLN HB3 H 2.138 0.002 1 457 43 43 GLN HG2 H 2.290 0.010 1 458 43 43 GLN HG3 H 2.295 0.006 1 459 43 43 GLN HE21 H 7.424 0.003 1 460 43 43 GLN HE22 H 6.731 0.001 1 461 43 43 GLN C C 176.446 0.000 1 462 43 43 GLN CA C 59.497 0.080 1 463 43 43 GLN CB C 28.581 0.010 1 464 43 43 GLN CG C 33.929 0.000 1 465 43 43 GLN CD C 180.417 0.000 1 466 43 43 GLN N N 117.761 0.042 1 467 43 43 GLN NE2 N 111.125 0.056 1 468 44 44 ALA H H 8.031 0.007 1 469 44 44 ALA HA H 3.833 0.007 1 470 44 44 ALA HB H 1.295 0.020 1 471 44 44 ALA C C 179.941 0.000 1 472 44 44 ALA CA C 54.558 0.100 1 473 44 44 ALA CB C 18.333 0.055 1 474 44 44 ALA N N 117.665 0.070 1 475 45 45 VAL H H 7.497 0.004 1 476 45 45 VAL HA H 3.898 0.026 1 477 45 45 VAL HB H 2.151 0.005 1 478 45 45 VAL HG1 H 1.026 0.019 1 479 45 45 VAL HG2 H 0.920 0.002 1 480 45 45 VAL C C 177.767 0.000 1 481 45 45 VAL CA C 64.507 0.087 1 482 45 45 VAL CB C 31.682 0.036 1 483 45 45 VAL CG1 C 21.648 0.027 1 484 45 45 VAL CG2 C 21.153 0.023 1 485 45 45 VAL N N 117.039 0.117 1 486 46 46 LEU H H 7.508 0.008 1 487 46 46 LEU HA H 4.020 0.012 1 488 46 46 LEU HB2 H 1.544 0.026 1 489 46 46 LEU HB3 H 1.681 0.017 1 490 46 46 LEU HG H 1.528 0.006 1 491 46 46 LEU HD1 H 0.516 0.017 1 492 46 46 LEU HD2 H 0.597 0.008 1 493 46 46 LEU C C 177.946 0.000 1 494 46 46 LEU CA C 56.135 0.098 1 495 46 46 LEU CB C 42.085 0.000 1 496 46 46 LEU CG C 27.834 0.000 1 497 46 46 LEU CD1 C 24.086 0.024 1 498 46 46 LEU CD2 C 25.448 0.051 1 499 46 46 LEU N N 117.895 0.040 1 500 47 47 ARG H H 7.538 0.005 1 501 47 47 ARG HA H 4.176 0.013 1 502 47 47 ARG HB2 H 1.721 0.006 1 503 47 47 ARG HB3 H 1.730 0.007 1 504 47 47 ARG HG2 H 1.629 0.002 1 505 47 47 ARG HG3 H 1.629 0.002 1 506 47 47 ARG HD2 H 3.104 0.027 1 507 47 47 ARG HD3 H 3.069 0.039 1 508 47 47 ARG C C 177.781 0.000 1 509 47 47 ARG CA C 58.962 0.062 1 510 47 47 ARG CB C 30.265 0.000 1 511 47 47 ARG CG C 27.127 0.009 1 512 47 47 ARG CD C 43.722 0.018 1 513 47 47 ARG N N 119.272 0.046 1 514 48 48 ASP H H 7.253 0.013 1 515 48 48 ASP HA H 4.498 0.006 1 516 48 48 ASP HB2 H 2.297 0.007 1 517 48 48 ASP HB3 H 2.296 0.007 1 518 48 48 ASP C C 178.482 0.000 1 519 48 48 ASP CA C 55.726 0.000 1 520 48 48 ASP CB C 40.952 0.096 1 521 48 48 ASP N N 115.299 0.060 1 522 49 49 TYR H H 7.889 0.003 1 523 49 49 TYR HA H 4.806 0.005 1 524 49 49 TYR HB2 H 3.259 0.013 1 525 49 49 TYR HB3 H 2.319 0.020 1 526 49 49 TYR HD1 H 6.916 0.035 3 527 49 49 TYR HD2 H 6.916 0.035 3 528 49 49 TYR HE1 H 6.630 0.043 3 529 49 49 TYR HE2 H 6.630 0.043 3 530 49 49 TYR CA C 57.049 0.075 1 531 49 49 TYR CB C 39.913 0.019 1 532 49 49 TYR CD1 C 133.135 0.037 3 533 49 49 TYR CD2 C 133.135 0.037 3 534 49 49 TYR CE1 C 118.186 0.042 3 535 49 49 TYR CE2 C 118.186 0.042 3 536 49 49 TYR N N 116.902 0.047 1 537 50 50 GLU HA H 3.831 0.000 1 538 50 50 GLU C C 174.867 0.000 1 539 51 51 GLU H H 9.356 0.012 1 540 51 51 GLU HA H 3.978 0.032 1 541 51 51 GLU HB2 H 2.075 0.010 1 542 51 51 GLU HB3 H 2.075 0.010 1 543 51 51 GLU HG2 H 2.478 0.001 1 544 51 51 GLU HG3 H 2.479 0.002 1 545 51 51 GLU C C 179.186 0.000 1 546 51 51 GLU CA C 60.595 0.007 1 547 51 51 GLU CB C 29.900 0.069 1 548 51 51 GLU N N 124.110 0.027 1 549 52 52 ILE H H 7.833 0.002 1 550 52 52 ILE HA H 3.960 0.012 1 551 52 52 ILE HB H 1.798 0.004 1 552 52 52 ILE HG12 H 1.171 0.010 1 553 52 52 ILE HG13 H 1.588 0.008 1 554 52 52 ILE HG2 H 0.994 0.005 1 555 52 52 ILE HD1 H 0.835 0.017 1 556 52 52 ILE C C 179.380 0.000 1 557 52 52 ILE CA C 64.655 0.097 1 558 52 52 ILE CB C 38.310 0.018 1 559 52 52 ILE CG1 C 28.580 0.056 1 560 52 52 ILE CG2 C 17.609 0.012 1 561 52 52 ILE CD1 C 14.298 0.028 1 562 52 52 ILE N N 116.715 0.040 1 563 53 53 PHE H H 8.470 0.007 1 564 53 53 PHE HA H 4.137 0.020 1 565 53 53 PHE HB2 H 2.824 0.034 1 566 53 53 PHE HB3 H 3.144 0.039 1 567 53 53 PHE HD1 H 6.432 0.030 3 568 53 53 PHE HD2 H 6.432 0.030 3 569 53 53 PHE HE1 H 6.488 0.055 3 570 53 53 PHE HE2 H 6.488 0.055 3 571 53 53 PHE C C 177.394 0.000 1 572 53 53 PHE CA C 61.480 0.111 1 573 53 53 PHE CB C 38.291 0.000 1 574 53 53 PHE CD1 C 131.280 0.033 3 575 53 53 PHE CD2 C 131.280 0.033 3 576 53 53 PHE CE1 C 129.852 0.000 3 577 53 53 PHE CE2 C 129.852 0.000 3 578 53 53 PHE N N 123.587 0.077 1 579 54 54 ILE H H 8.074 0.011 1 580 54 54 ILE HA H 3.113 0.012 1 581 54 54 ILE HB H 1.802 0.017 1 582 54 54 ILE HG2 H 0.737 0.011 1 583 54 54 ILE HD1 H 0.347 0.007 1 584 54 54 ILE C C 178.036 0.000 1 585 54 54 ILE CA C 61.457 0.000 1 586 54 54 ILE CB C 36.315 0.000 1 587 54 54 ILE CG2 C 19.097 0.020 1 588 54 54 ILE CD1 C 8.483 0.025 1 589 54 54 ILE N N 118.464 0.061 1 590 55 55 GLN H H 8.788 0.007 1 591 55 55 GLN HA H 3.794 0.017 1 592 55 55 GLN HB2 H 1.907 0.006 1 593 55 55 GLN HB3 H 2.148 0.014 1 594 55 55 GLN HG2 H 2.499 0.004 1 595 55 55 GLN HG3 H 2.278 0.010 1 596 55 55 GLN HE21 H 7.317 0.002 1 597 55 55 GLN HE22 H 6.558 0.003 1 598 55 55 GLN C C 179.610 0.000 1 599 55 55 GLN CA C 59.680 0.133 1 600 55 55 GLN CB C 28.221 0.071 1 601 55 55 GLN CG C 33.798 0.017 1 602 55 55 GLN N N 117.919 0.062 1 603 55 55 GLN NE2 N 109.884 0.048 1 604 56 56 ASN H H 7.628 0.007 1 605 56 56 ASN HA H 4.212 0.003 1 606 56 56 ASN HB2 H 2.519 0.006 1 607 56 56 ASN HB3 H 2.510 0.013 1 608 56 56 ASN HD21 H 7.017 0.015 1 609 56 56 ASN HD22 H 7.594 0.000 1 610 56 56 ASN C C 176.697 0.000 1 611 56 56 ASN CA C 58.019 0.079 1 612 56 56 ASN CB C 40.959 0.129 1 613 56 56 ASN N N 118.434 0.101 1 614 56 56 ASN ND2 N 113.308 0.037 1 615 57 57 VAL H H 7.757 0.008 1 616 57 57 VAL HA H 3.146 0.025 1 617 57 57 VAL HB H 1.814 0.010 1 618 57 57 VAL HG1 H -0.029 0.008 1 619 57 57 VAL HG2 H 0.337 0.006 1 620 57 57 VAL C C 177.606 0.000 1 621 57 57 VAL CA C 67.132 0.040 1 622 57 57 VAL CB C 31.468 0.044 1 623 57 57 VAL CG1 C 22.252 0.021 1 624 57 57 VAL CG2 C 21.457 0.013 1 625 57 57 VAL N N 121.755 0.033 1 626 58 58 LEU H H 8.465 0.008 1 627 58 58 LEU HA H 3.909 0.009 1 628 58 58 LEU HB2 H 1.326 0.022 1 629 58 58 LEU HB3 H 1.317 0.031 1 630 58 58 LEU HD1 H 0.717 0.005 1 631 58 58 LEU HD2 H 0.938 0.025 1 632 58 58 LEU C C 180.234 0.000 1 633 58 58 LEU CA C 58.098 0.092 1 634 58 58 LEU CB C 41.783 0.076 1 635 58 58 LEU CD1 C 26.529 0.055 1 636 58 58 LEU N N 117.542 0.065 1 637 59 59 ALA H H 7.745 0.003 1 638 59 59 ALA HA H 4.038 0.015 1 639 59 59 ALA HB H 1.405 0.004 1 640 59 59 ALA C C 180.329 0.000 1 641 59 59 ALA CA C 54.901 0.001 1 642 59 59 ALA CB C 18.360 0.008 1 643 59 59 ALA N N 122.392 0.041 1 644 60 60 GLN H H 7.584 0.006 1 645 60 60 GLN HA H 3.950 0.012 1 646 60 60 GLN HB2 H 1.685 0.010 1 647 60 60 GLN HB3 H 1.833 0.013 1 648 60 60 GLN HG2 H 2.115 0.019 1 649 60 60 GLN HG3 H 2.103 0.015 1 650 60 60 GLN HE21 H 7.248 0.000 1 651 60 60 GLN HE22 H 6.653 0.026 1 652 60 60 GLN C C 177.579 0.000 1 653 60 60 GLN CA C 57.710 0.032 1 654 60 60 GLN CB C 28.496 0.079 1 655 60 60 GLN CG C 31.875 0.000 1 656 60 60 GLN N N 119.962 0.066 1 657 60 60 GLN NE2 N 111.206 0.000 1 658 61 61 PHE H H 8.369 0.009 1 659 61 61 PHE HA H 4.201 0.007 1 660 61 61 PHE HB2 H 3.241 0.034 1 661 61 61 PHE HB3 H 3.227 0.009 1 662 61 61 PHE HD1 H 7.139 0.042 3 663 61 61 PHE HD2 H 7.139 0.042 3 664 61 61 PHE HE1 H 6.846 0.050 3 665 61 61 PHE HE2 H 6.846 0.050 3 666 61 61 PHE HZ H 6.748 0.048 1 667 61 61 PHE C C 179.425 0.000 1 668 61 61 PHE CA C 60.891 0.000 1 669 61 61 PHE CB C 37.573 0.057 1 670 61 61 PHE CD1 C 130.635 0.018 3 671 61 61 PHE CD2 C 130.635 0.018 3 672 61 61 PHE CE1 C 130.397 0.043 3 673 61 61 PHE CE2 C 130.397 0.043 3 674 61 61 PHE CZ C 132.054 0.000 1 675 61 61 PHE N N 117.682 0.110 1 676 62 62 LYS H H 7.731 0.010 1 677 62 62 LYS HA H 4.027 0.015 1 678 62 62 LYS HB2 H 1.886 0.007 1 679 62 62 LYS HB3 H 1.827 0.015 1 680 62 62 LYS HG2 H 1.403 0.003 1 681 62 62 LYS HG3 H 1.345 0.054 1 682 62 62 LYS HD2 H 1.562 0.011 1 683 62 62 LYS HD3 H 1.562 0.011 1 684 62 62 LYS HE2 H 2.836 0.005 1 685 62 62 LYS HE3 H 2.836 0.005 1 686 62 62 LYS C C 179.618 0.000 1 687 62 62 LYS CA C 59.625 0.049 1 688 62 62 LYS CB C 31.806 0.039 1 689 62 62 LYS CG C 24.821 0.000 1 690 62 62 LYS CD C 29.173 0.000 1 691 62 62 LYS CE C 41.917 0.000 1 692 62 62 LYS N N 119.258 0.058 1 693 63 63 ASN H H 7.736 0.010 1 694 63 63 ASN HA H 4.222 0.014 1 695 63 63 ASN HB2 H 2.823 0.003 1 696 63 63 ASN HB3 H 2.823 0.003 1 697 63 63 ASN HD21 H 7.169 0.007 1 698 63 63 ASN HD22 H 6.578 0.003 1 699 63 63 ASN C C 177.684 0.000 1 700 63 63 ASN CA C 56.803 0.081 1 701 63 63 ASN CB C 38.687 0.123 1 702 63 63 ASN CG C 179.822 0.000 1 703 63 63 ASN N N 119.978 0.040 1 704 63 63 ASN ND2 N 111.958 0.060 1 705 64 64 LEU H H 8.481 0.004 1 706 64 64 LEU HA H 3.818 0.008 1 707 64 64 LEU HB2 H 1.507 0.013 1 708 64 64 LEU HB3 H 1.507 0.013 1 709 64 64 LEU HG H 2.119 0.008 1 710 64 64 LEU HD1 H -0.074 0.007 1 711 64 64 LEU HD2 H 0.453 0.010 1 712 64 64 LEU C C 178.663 0.000 1 713 64 64 LEU CA C 57.096 0.004 1 714 64 64 LEU CB C 41.697 0.072 1 715 64 64 LEU CG C 24.897 0.003 1 716 64 64 LEU CD1 C 24.918 0.027 1 717 64 64 LEU CD2 C 21.623 0.026 1 718 64 64 LEU N N 116.237 0.043 1 719 65 65 SER H H 7.557 0.009 1 720 65 65 SER HA H 4.274 0.006 1 721 65 65 SER HB2 H 3.994 0.025 1 722 65 65 SER HB3 H 4.003 0.000 1 723 65 65 SER C C 175.154 0.000 1 724 65 65 SER CA C 60.711 0.061 1 725 65 65 SER CB C 63.590 0.129 1 726 65 65 SER N N 111.821 0.075 1 727 66 66 GLN H H 7.430 0.007 1 728 66 66 GLN HA H 4.439 0.010 1 729 66 66 GLN HB2 H 1.996 0.007 1 730 66 66 GLN HB3 H 2.267 0.010 1 731 66 66 GLN HG2 H 2.274 0.011 1 732 66 66 GLN HG3 H 2.385 0.005 1 733 66 66 GLN HE21 H 7.240 0.003 1 734 66 66 GLN HE22 H 6.715 0.004 1 735 66 66 GLN C C 175.560 0.000 1 736 66 66 GLN CA C 55.360 0.139 1 737 66 66 GLN CB C 30.080 0.052 1 738 66 66 GLN CG C 33.882 0.012 1 739 66 66 GLN CD C 180.727 0.000 1 740 66 66 GLN N N 117.397 0.066 1 741 66 66 GLN NE2 N 111.746 0.061 1 742 67 67 ILE H H 7.176 0.007 1 743 67 67 ILE HA H 4.771 0.012 1 744 67 67 ILE HB H 2.006 0.017 1 745 67 67 ILE HG12 H 1.382 0.006 1 746 67 67 ILE HG13 H 1.238 0.002 1 747 67 67 ILE HG2 H 0.879 0.004 1 748 67 67 ILE HD1 H 0.620 0.008 1 749 67 67 ILE CA C 58.954 0.052 1 750 67 67 ILE CB C 38.567 0.025 1 751 67 67 ILE CG1 C 25.452 0.052 1 752 67 67 ILE CG2 C 16.875 0.020 1 753 67 67 ILE CD1 C 13.622 0.017 1 754 67 67 ILE N N 116.614 0.053 1 755 68 68 PRO HA H 4.420 0.007 1 756 68 68 PRO HB2 H 2.411 0.038 1 757 68 68 PRO HB3 H 2.450 0.000 1 758 68 68 PRO HD2 H 3.586 0.144 1 759 68 68 PRO HD3 H 3.721 0.169 1 760 68 68 PRO CA C 63.361 0.031 1 761 68 68 PRO CD C 51.337 0.115 1 762 69 69 SER HA H 4.200 0.000 1 763 69 69 SER HB2 H 3.966 0.001 1 764 69 69 SER HB3 H 3.966 0.001 1 765 69 69 SER C C 175.762 0.000 1 766 69 69 SER CA C 62.249 0.088 1 767 69 69 SER CB C 63.636 0.000 1 768 70 70 ALA H H 8.474 0.005 1 769 70 70 ALA HA H 4.080 0.006 1 770 70 70 ALA HB H 1.355 0.023 1 771 70 70 ALA C C 179.349 0.000 1 772 70 70 ALA CA C 55.030 0.607 1 773 70 70 ALA CB C 18.485 0.140 1 774 70 70 ALA N N 120.867 0.064 1 775 71 71 GLN H H 7.586 0.007 1 776 71 71 GLN HA H 4.318 0.007 1 777 71 71 GLN HB2 H 2.027 0.028 1 778 71 71 GLN HB3 H 1.978 0.002 1 779 71 71 GLN HG2 H 2.298 0.016 1 780 71 71 GLN HG3 H 2.274 0.004 1 781 71 71 GLN HE21 H 7.434 0.003 1 782 71 71 GLN HE22 H 6.679 0.008 1 783 71 71 GLN C C 177.660 0.000 1 784 71 71 GLN CA C 56.906 0.090 1 785 71 71 GLN CB C 30.237 0.051 1 786 71 71 GLN CG C 34.494 0.035 1 787 71 71 GLN CD C 180.016 0.000 1 788 71 71 GLN N N 112.316 0.052 1 789 71 71 GLN NE2 N 111.577 0.068 1 790 72 72 SER H H 8.515 0.004 1 791 72 72 SER HA H 4.455 0.005 1 792 72 72 SER HB2 H 3.858 0.006 1 793 72 72 SER HB3 H 3.859 0.007 1 794 72 72 SER C C 178.269 0.000 1 795 72 72 SER CA C 60.765 0.245 1 796 72 72 SER CB C 62.807 0.118 1 797 72 72 SER N N 114.614 0.058 1 798 73 73 VAL H H 8.227 0.003 1 799 73 73 VAL HA H 4.122 0.024 1 800 73 73 VAL HB H 2.312 0.009 1 801 73 73 VAL HG1 H 1.002 0.004 1 802 73 73 VAL HG2 H 1.006 0.003 1 803 73 73 VAL C C 180.130 0.000 1 804 73 73 VAL CA C 66.048 0.137 1 805 73 73 VAL CB C 31.594 0.028 1 806 73 73 VAL CG1 C 20.994 0.028 1 807 73 73 VAL CG2 C 20.999 0.004 1 808 73 73 VAL N N 122.816 0.076 1 809 74 74 VAL H H 6.671 0.008 1 810 74 74 VAL HA H 3.939 0.018 1 811 74 74 VAL HB H 2.135 0.003 1 812 74 74 VAL HG1 H 0.901 0.004 1 813 74 74 VAL HG2 H 0.901 0.003 1 814 74 74 VAL C C 176.565 0.000 1 815 74 74 VAL CA C 63.467 0.097 1 816 74 74 VAL CB C 31.700 0.016 1 817 74 74 VAL CG1 C 20.423 0.031 1 818 74 74 VAL CG2 C 20.410 0.020 1 819 74 74 VAL N N 113.467 0.057 1 820 75 75 VAL H H 7.359 0.010 1 821 75 75 VAL HA H 3.897 0.018 1 822 75 75 VAL HB H 2.144 0.012 1 823 75 75 VAL HG1 H 0.715 0.046 1 824 75 75 VAL HG2 H 0.901 0.007 1 825 75 75 VAL C C 178.434 0.000 1 826 75 75 VAL CA C 63.296 0.101 1 827 75 75 VAL CB C 28.482 0.069 1 828 75 75 VAL CG1 C 22.695 0.031 1 829 75 75 VAL CG2 C 21.455 0.026 1 830 75 75 VAL N N 116.475 0.066 1 831 76 76 TYR H H 8.358 0.009 1 832 76 76 TYR HA H 3.905 0.008 1 833 76 76 TYR HB2 H 2.835 0.033 1 834 76 76 TYR HB3 H 2.667 0.008 1 835 76 76 TYR HD1 H 6.737 0.036 3 836 76 76 TYR HD2 H 6.737 0.036 3 837 76 76 TYR HE1 H 6.605 0.027 3 838 76 76 TYR HE2 H 6.605 0.027 3 839 76 76 TYR C C 177.536 0.000 1 840 76 76 TYR CA C 63.502 0.077 1 841 76 76 TYR CB C 39.213 0.068 1 842 76 76 TYR CD1 C 131.769 0.000 3 843 76 76 TYR CD2 C 131.769 0.000 3 844 76 76 TYR CE1 C 118.290 0.067 3 845 76 76 TYR CE2 C 118.290 0.067 3 846 76 76 TYR N N 118.045 0.080 1 847 77 77 GLN H H 7.827 0.007 1 848 77 77 GLN HA H 4.038 0.030 1 849 77 77 GLN HB2 H 2.191 0.010 1 850 77 77 GLN HB3 H 2.164 0.014 1 851 77 77 GLN HG2 H 2.482 0.005 1 852 77 77 GLN HG3 H 2.481 0.006 1 853 77 77 GLN HE21 H 7.194 0.001 1 854 77 77 GLN HE22 H 6.626 0.002 1 855 77 77 GLN CA C 61.948 0.102 1 856 77 77 GLN CB C 25.451 0.084 1 857 77 77 GLN CG C 33.792 0.000 1 858 77 77 GLN N N 113.408 0.089 1 859 77 77 GLN NE2 N 110.565 0.046 1 860 78 78 PRO HA H 4.371 0.009 1 861 78 78 PRO HB2 H 2.206 0.019 1 862 78 78 PRO HB3 H 1.841 0.028 1 863 78 78 PRO HG2 H 1.808 0.000 1 864 78 78 PRO HG3 H 1.986 0.042 1 865 78 78 PRO HD2 H 3.559 0.028 1 866 78 78 PRO HD3 H 3.448 0.017 1 867 78 78 PRO C C 176.221 0.000 1 868 78 78 PRO CA C 65.692 0.028 1 869 78 78 PRO CB C 30.428 0.045 1 870 78 78 PRO CG C 27.721 0.042 1 871 78 78 PRO CD C 50.328 0.000 1 872 79 79 LEU H H 7.905 0.007 1 873 79 79 LEU HA H 4.007 0.017 1 874 79 79 LEU HB2 H 1.796 0.053 1 875 79 79 LEU HB3 H 1.709 0.033 1 876 79 79 LEU HG H 1.225 0.020 1 877 79 79 LEU HD1 H 0.215 0.008 1 878 79 79 LEU HD2 H 0.562 0.025 1 879 79 79 LEU C C 177.805 0.000 1 880 79 79 LEU CA C 57.714 0.057 1 881 79 79 LEU CB C 41.901 0.000 1 882 79 79 LEU CG C 26.331 0.006 1 883 79 79 LEU CD1 C 26.230 0.028 1 884 79 79 LEU CD2 C 23.608 0.024 1 885 79 79 LEU N N 120.310 0.056 1 886 80 80 LEU H H 8.745 0.016 1 887 80 80 LEU HA H 4.022 0.020 1 888 80 80 LEU HB2 H 1.849 0.043 1 889 80 80 LEU HB3 H 1.849 0.043 1 890 80 80 LEU HG H 1.269 0.009 1 891 80 80 LEU HD1 H 0.752 0.013 1 892 80 80 LEU HD2 H 0.641 0.026 1 893 80 80 LEU C C 179.153 0.000 1 894 80 80 LEU CA C 57.871 0.000 1 895 80 80 LEU CB C 41.226 0.064 1 896 80 80 LEU CG C 27.223 0.000 1 897 80 80 LEU CD1 C 22.801 0.028 1 898 80 80 LEU CD2 C 25.572 0.000 1 899 80 80 LEU N N 117.542 0.038 1 900 81 81 SER H H 7.891 0.009 1 901 81 81 SER HA H 4.354 0.035 1 902 81 81 SER HB2 H 3.945 0.009 1 903 81 81 SER HB3 H 4.155 0.128 1 904 81 81 SER CA C 62.789 0.011 1 905 81 81 SER CB C 63.514 0.130 1 906 81 81 SER N N 112.479 0.060 1 907 82 82 ILE H H 8.155 0.004 1 908 82 82 ILE HA H 3.969 0.022 1 909 82 82 ILE HB H 1.937 0.013 1 910 82 82 ILE HG2 H 0.725 0.022 1 911 82 82 ILE HD1 H 0.657 0.036 1 912 82 82 ILE C C 177.326 0.000 1 913 82 82 ILE CA C 64.388 0.069 1 914 82 82 ILE CB C 37.481 0.054 1 915 82 82 ILE CG2 C 17.973 0.023 1 916 82 82 ILE CD1 C 14.881 0.024 1 917 82 82 ILE N N 118.660 0.056 1 918 83 83 LEU H H 7.857 0.011 1 919 83 83 LEU HA H 4.002 0.023 1 920 83 83 LEU HB2 H 1.932 0.029 1 921 83 83 LEU HB3 H 1.921 0.018 1 922 83 83 LEU HG H 1.906 0.018 1 923 83 83 LEU HD1 H 1.014 0.023 1 924 83 83 LEU HD2 H 0.942 0.023 1 925 83 83 LEU C C 178.160 0.000 1 926 83 83 LEU CA C 58.356 0.000 1 927 83 83 LEU CB C 43.299 0.068 1 928 83 83 LEU CG C 27.012 0.000 1 929 83 83 LEU CD1 C 25.439 0.022 1 930 83 83 LEU CD2 C 25.426 0.026 1 931 83 83 LEU N N 124.090 0.027 1 932 84 84 TYR H H 8.379 0.006 1 933 84 84 TYR HA H 4.205 0.030 1 934 84 84 TYR HB2 H 3.493 0.041 1 935 84 84 TYR HB3 H 2.885 0.009 1 936 84 84 TYR HD1 H 6.944 0.032 3 937 84 84 TYR HD2 H 6.944 0.032 3 938 84 84 TYR HE1 H 6.448 0.026 3 939 84 84 TYR HE2 H 6.448 0.026 3 940 84 84 TYR C C 178.158 0.000 1 941 84 84 TYR CA C 62.201 0.082 1 942 84 84 TYR CB C 38.018 0.000 1 943 84 84 TYR CD1 C 132.939 0.037 3 944 84 84 TYR CD2 C 132.939 0.037 3 945 84 84 TYR CE1 C 118.066 0.057 3 946 84 84 TYR CE2 C 118.066 0.057 3 947 84 84 TYR N N 119.216 0.075 1 948 85 85 THR H H 8.804 0.010 1 949 85 85 THR HA H 3.769 0.024 1 950 85 85 THR HB H 4.184 0.012 1 951 85 85 THR HG2 H 1.197 0.006 1 952 85 85 THR C C 176.508 0.000 1 953 85 85 THR CA C 67.022 0.058 1 954 85 85 THR CB C 68.391 0.015 1 955 85 85 THR CG2 C 22.663 0.044 1 956 85 85 THR N N 116.692 0.080 1 957 86 86 PHE H H 8.628 0.007 1 958 86 86 PHE HA H 3.698 0.029 1 959 86 86 PHE HB2 H 2.852 0.020 1 960 86 86 PHE HB3 H 3.129 0.030 1 961 86 86 PHE HD1 H 5.955 0.033 3 962 86 86 PHE HD2 H 5.955 0.033 3 963 86 86 PHE HE1 H 6.385 0.050 3 964 86 86 PHE HE2 H 6.385 0.050 3 965 86 86 PHE HZ H 6.692 0.050 1 966 86 86 PHE C C 179.418 0.000 1 967 86 86 PHE CA C 61.992 0.119 1 968 86 86 PHE CB C 40.000 0.021 1 969 86 86 PHE CD1 C 132.400 0.008 3 970 86 86 PHE CD2 C 132.400 0.008 3 971 86 86 PHE CE1 C 130.428 0.017 3 972 86 86 PHE CE2 C 130.428 0.017 3 973 86 86 PHE CZ C 128.057 0.000 1 974 86 86 PHE N N 121.533 0.052 1 975 87 87 PHE H H 7.673 0.018 1 976 87 87 PHE HA H 3.940 0.033 1 977 87 87 PHE HB2 H 3.130 0.014 1 978 87 87 PHE HB3 H 2.585 0.029 1 979 87 87 PHE HD1 H 7.215 0.042 3 980 87 87 PHE HD2 H 7.215 0.042 3 981 87 87 PHE HE1 H 6.857 0.044 3 982 87 87 PHE HE2 H 6.857 0.044 3 983 87 87 PHE C C 178.837 0.000 1 984 87 87 PHE CA C 62.847 0.099 1 985 87 87 PHE CB C 43.505 0.037 1 986 87 87 PHE CD1 C 131.174 0.000 3 987 87 87 PHE CD2 C 131.174 0.000 3 988 87 87 PHE CE1 C 130.168 0.000 3 989 87 87 PHE CE2 C 130.168 0.000 3 990 87 87 PHE N N 110.415 0.069 1 991 88 88 HIS H H 7.458 0.005 1 992 88 88 HIS HA H 3.952 0.016 1 993 88 88 HIS HB2 H 2.248 0.008 1 994 88 88 HIS HB3 H 2.514 0.016 1 995 88 88 HIS CA C 57.762 0.058 1 996 88 88 HIS CB C 33.023 0.045 1 997 88 88 HIS N N 114.604 0.111 1 998 89 89 ALA H H 7.755 0.004 1 999 89 89 ALA HA H 4.065 0.005 1 1000 89 89 ALA HB H 1.395 0.010 1 1001 89 89 ALA C C 176.347 0.000 1 1002 89 89 ALA CA C 52.598 0.068 1 1003 89 89 ALA CB C 20.181 0.057 1 1004 89 89 ALA N N 118.511 0.027 1 1005 90 90 ASN H H 7.477 0.009 1 1006 90 90 ASN HA H 4.730 0.006 1 1007 90 90 ASN HB2 H 2.899 0.013 1 1008 90 90 ASN HB3 H 2.557 0.016 1 1009 90 90 ASN HD21 H 7.195 0.009 1 1010 90 90 ASN HD22 H 6.496 0.004 1 1011 90 90 ASN CA C 51.883 0.060 1 1012 90 90 ASN CB C 41.962 0.067 1 1013 90 90 ASN CG C 180.392 0.000 1 1014 90 90 ASN N N 118.237 0.052 1 1015 90 90 ASN ND2 N 113.499 0.079 1 1016 92 92 LEU HA H 4.108 0.003 1 1017 92 92 LEU HB2 H 1.302 0.002 1 1018 92 92 LEU HB3 H 1.302 0.002 1 1019 92 92 LEU HG H 1.149 0.015 1 1020 92 92 LEU HD1 H 0.560 0.002 1 1021 92 92 LEU HD2 H 0.415 0.002 1 1022 92 92 LEU C C 176.772 0.000 1 1023 92 92 LEU CD1 C 22.548 0.011 1 1024 92 92 LEU CD2 C 25.298 0.013 1 1025 93 93 GLY H H 9.375 0.007 1 1026 93 93 GLY HA2 H 3.160 0.010 1 1027 93 93 GLY HA3 H 4.020 0.026 1 1028 93 93 GLY C C 174.068 0.000 1 1029 93 93 GLY CA C 45.810 0.000 1 1030 93 93 GLY N N 108.127 0.097 1 1031 94 94 LYS H H 8.072 0.008 1 1032 94 94 LYS HA H 4.227 0.005 1 1033 94 94 LYS HB2 H 1.859 0.030 1 1034 94 94 LYS HB3 H 1.859 0.030 1 1035 94 94 LYS HG2 H 1.393 0.009 1 1036 94 94 LYS HG3 H 1.396 0.005 1 1037 94 94 LYS HD2 H 1.620 0.000 1 1038 94 94 LYS HD3 H 1.620 0.000 1 1039 94 94 LYS HE2 H 2.846 0.007 1 1040 94 94 LYS HE3 H 2.846 0.007 1 1041 94 94 LYS C C 179.485 0.000 1 1042 94 94 LYS CA C 58.056 0.043 1 1043 94 94 LYS CB C 32.107 0.000 1 1044 94 94 LYS CG C 25.454 0.045 1 1045 94 94 LYS CD C 28.715 0.000 1 1046 94 94 LYS CE C 41.780 0.000 1 1047 94 94 LYS N N 116.208 0.076 1 1048 95 95 THR H H 8.654 0.003 1 1049 95 95 THR HA H 4.420 0.008 1 1050 95 95 THR HB H 4.419 0.018 1 1051 95 95 THR HG2 H 1.152 0.018 1 1052 95 95 THR C C 175.211 0.000 1 1053 95 95 THR CA C 62.637 0.048 1 1054 95 95 THR CB C 69.623 0.095 1 1055 95 95 THR CG2 C 21.022 0.016 1 1056 95 95 THR N N 108.836 0.068 1 1057 96 96 LEU H H 6.661 0.006 1 1058 96 96 LEU HA H 4.209 0.034 1 1059 96 96 LEU HB2 H 1.897 0.017 1 1060 96 96 LEU HB3 H 1.910 0.016 1 1061 96 96 LEU HG H 1.926 0.004 1 1062 96 96 LEU HD1 H 0.952 0.007 1 1063 96 96 LEU HD2 H 1.093 0.015 1 1064 96 96 LEU C C 177.087 0.000 1 1065 96 96 LEU CA C 55.692 0.055 1 1066 96 96 LEU CB C 43.187 0.084 1 1067 96 96 LEU CG C 27.369 0.000 1 1068 96 96 LEU CD1 C 23.281 0.023 1 1069 96 96 LEU CD2 C 25.862 0.034 1 1070 96 96 LEU N N 118.840 0.036 1 1071 97 97 SER H H 9.075 0.006 1 1072 97 97 SER HA H 4.208 0.028 1 1073 97 97 SER HB2 H 3.943 0.000 1 1074 97 97 SER HB3 H 3.943 0.000 1 1075 97 97 SER C C 174.566 0.000 1 1076 97 97 SER CA C 58.161 0.000 1 1077 97 97 SER CB C 65.279 0.027 1 1078 97 97 SER N N 118.217 0.080 1 1079 98 98 VAL H H 8.530 0.008 1 1080 98 98 VAL HA H 3.234 0.025 1 1081 98 98 VAL HB H 1.866 0.007 1 1082 98 98 VAL HG1 H 0.998 0.026 1 1083 98 98 VAL HG2 H 0.607 0.004 1 1084 98 98 VAL C C 177.447 0.000 1 1085 98 98 VAL CA C 67.623 0.055 1 1086 98 98 VAL CB C 31.830 0.027 1 1087 98 98 VAL CG1 C 22.929 0.021 1 1088 98 98 VAL CG2 C 19.714 0.022 1 1089 98 98 VAL N N 118.431 0.068 1 1090 99 99 ALA H H 8.279 0.003 1 1091 99 99 ALA HA H 3.739 0.011 1 1092 99 99 ALA HB H 1.268 0.007 1 1093 99 99 ALA C C 179.007 0.000 1 1094 99 99 ALA CA C 55.498 0.071 1 1095 99 99 ALA CB C 18.391 0.065 1 1096 99 99 ALA N N 119.161 0.063 1 1097 100 100 CYS H H 7.814 0.002 1 1098 100 100 CYS HA H 3.990 0.015 1 1099 100 100 CYS HB2 H 3.110 0.005 1 1100 100 100 CYS HB3 H 2.715 0.006 1 1101 100 100 CYS C C 176.587 0.000 1 1102 100 100 CYS CA C 62.830 0.091 1 1103 100 100 CYS CB C 26.957 0.074 1 1104 100 100 CYS N N 116.951 0.048 1 1105 101 101 ILE H H 8.450 0.024 1 1106 101 101 ILE HA H 3.272 0.015 1 1107 101 101 ILE HB H 1.569 0.020 1 1108 101 101 ILE HG2 H 0.684 0.020 1 1109 101 101 ILE HD1 H 0.580 0.020 1 1110 101 101 ILE C C 177.232 0.000 1 1111 101 101 ILE CA C 66.266 0.000 1 1112 101 101 ILE CB C 38.568 0.055 1 1113 101 101 ILE CG2 C 15.245 0.024 1 1114 101 101 ILE CD1 C 14.345 0.023 1 1115 101 101 ILE N N 118.004 0.033 1 1116 102 102 LYS H H 8.066 0.009 1 1117 102 102 LYS HA H 3.843 0.022 1 1118 102 102 LYS HB2 H 2.030 0.006 1 1119 102 102 LYS HB3 H 2.030 0.006 1 1120 102 102 LYS C C 177.340 0.000 1 1121 102 102 LYS CA C 59.694 0.068 1 1122 102 102 LYS CB C 33.168 0.000 1 1123 102 102 LYS N N 120.286 0.131 1 1124 103 103 ASN H H 8.322 0.009 1 1125 103 103 ASN HA H 4.128 0.013 1 1126 103 103 ASN HB2 H 2.597 0.020 1 1127 103 103 ASN HB3 H 2.721 0.013 1 1128 103 103 ASN HD21 H 6.598 0.002 1 1129 103 103 ASN HD22 H 7.396 0.003 1 1130 103 103 ASN CA C 57.330 0.095 1 1131 103 103 ASN CB C 41.410 0.064 1 1132 103 103 ASN N N 118.071 0.113 1 1133 103 103 ASN ND2 N 113.097 0.067 1 1134 104 104 LEU HA H 4.063 0.032 1 1135 104 104 LEU HB2 H 1.449 0.009 1 1136 104 104 LEU HB3 H 1.449 0.010 1 1137 104 104 LEU HD1 H 0.859 0.021 1 1138 104 104 LEU HD2 H 0.716 0.017 1 1139 104 104 LEU C C 177.417 0.000 1 1140 104 104 LEU CA C 58.310 0.066 1 1141 104 104 LEU CB C 41.024 0.000 1 1142 104 104 LEU CD1 C 27.208 0.020 1 1143 104 104 LEU CD2 C 26.483 0.053 1 1144 105 105 MET H H 8.742 0.007 1 1145 105 105 MET HA H 4.020 0.030 1 1146 105 105 MET HB2 H 1.930 0.030 1 1147 105 105 MET HB3 H 1.933 0.036 1 1148 105 105 MET HG2 H 2.488 0.009 1 1149 105 105 MET HG3 H 2.191 0.032 1 1150 105 105 MET HE H 1.758 0.017 1 1151 105 105 MET C C 178.403 0.000 1 1152 105 105 MET CA C 56.371 0.000 1 1153 105 105 MET CB C 29.191 0.144 1 1154 105 105 MET CG C 34.009 0.011 1 1155 105 105 MET CE C 16.194 0.021 1 1156 105 105 MET N N 115.511 0.045 1 1157 106 106 SER H H 8.306 0.006 1 1158 106 106 SER HA H 4.309 0.021 1 1159 106 106 SER HB2 H 3.998 0.021 1 1160 106 106 SER HB3 H 3.998 0.021 1 1161 106 106 SER C C 179.971 0.000 1 1162 106 106 SER CA C 61.915 0.080 1 1163 106 106 SER CB C 63.377 0.064 1 1164 106 106 SER N N 112.106 0.081 1 1165 107 107 ALA H H 7.633 0.005 1 1166 107 107 ALA HA H 4.015 0.010 1 1167 107 107 ALA HB H 1.272 0.018 1 1168 107 107 ALA C C 179.648 0.000 1 1169 107 107 ALA CA C 55.290 0.094 1 1170 107 107 ALA CB C 18.588 0.026 1 1171 107 107 ALA N N 120.441 0.059 1 1172 108 108 LEU H H 8.151 0.004 1 1173 108 108 LEU HA H 3.969 0.012 1 1174 108 108 LEU HB2 H 1.935 0.012 1 1175 108 108 LEU HB3 H 1.928 0.012 1 1176 108 108 LEU HG H 1.090 0.026 1 1177 108 108 LEU HD1 H 0.685 0.035 1 1178 108 108 LEU HD2 H 0.776 0.021 1 1179 108 108 LEU C C 180.054 0.000 1 1180 108 108 LEU CA C 57.568 0.000 1 1181 108 108 LEU CB C 39.110 0.055 1 1182 108 108 LEU CG C 26.054 0.000 1 1183 108 108 LEU CD1 C 24.493 0.020 1 1184 108 108 LEU CD2 C 26.266 0.040 1 1185 108 108 LEU N N 116.423 0.030 1 1186 109 109 LEU H H 8.329 0.010 1 1187 109 109 LEU HA H 4.022 0.023 1 1188 109 109 LEU HB2 H 1.613 0.033 1 1189 109 109 LEU HB3 H 1.502 0.013 1 1190 109 109 LEU HD1 H 0.727 0.033 1 1191 109 109 LEU HD2 H 0.427 0.040 1 1192 109 109 LEU C C 180.037 0.000 1 1193 109 109 LEU CA C 58.302 0.132 1 1194 109 109 LEU CB C 41.765 0.025 1 1195 109 109 LEU CD1 C 26.572 0.000 1 1196 109 109 LEU CD2 C 23.076 0.021 1 1197 109 109 LEU N N 122.831 0.068 1 1198 110 110 ASN H H 8.173 0.005 1 1199 110 110 ASN HA H 4.472 0.008 1 1200 110 110 ASN HB2 H 2.567 0.011 1 1201 110 110 ASN HB3 H 2.887 0.006 1 1202 110 110 ASN HD21 H 6.496 0.000 1 1203 110 110 ASN HD22 H 7.194 0.000 1 1204 110 110 ASN C C 177.721 0.000 1 1205 110 110 ASN CA C 57.290 0.043 1 1206 110 110 ASN CB C 38.818 0.067 1 1207 110 110 ASN N N 116.434 0.054 1 1208 110 110 ASN ND2 N 113.685 0.000 1 1209 111 111 LEU H H 7.454 0.008 1 1210 111 111 LEU HA H 3.951 0.010 1 1211 111 111 LEU HB2 H 1.752 0.027 1 1212 111 111 LEU HB3 H 1.701 0.022 1 1213 111 111 LEU HG H 1.483 0.014 1 1214 111 111 LEU HD1 H 0.306 0.003 1 1215 111 111 LEU HD2 H 0.486 0.011 1 1216 111 111 LEU CA C 57.756 0.024 1 1217 111 111 LEU CB C 42.084 0.007 1 1218 111 111 LEU CG C 26.835 0.021 1 1219 111 111 LEU CD1 C 25.131 0.020 1 1220 111 111 LEU CD2 C 24.106 0.033 1 1221 111 111 LEU N N 118.762 0.035 1 1222 112 112 MET HA H 3.938 0.005 1 1223 112 112 MET HB2 H 2.504 0.003 1 1224 112 112 MET HB3 H 2.253 0.005 1 1225 112 112 MET HG2 H 2.496 0.003 1 1226 112 112 MET HG3 H 2.266 0.001 1 1227 112 112 MET HE H 1.913 0.003 1 1228 112 112 MET CA C 57.572 0.000 1 1229 112 112 MET CB C 32.804 0.000 1 1230 112 112 MET CG C 33.971 0.000 1 1231 112 112 MET CE C 17.522 0.016 1 1232 113 113 ALA HA H 4.021 0.029 1 1233 113 113 ALA HB H 1.396 0.006 1 1234 113 113 ALA CA C 53.012 0.000 1 1235 113 113 ALA CB C 20.137 0.020 1 1236 114 114 ASP HA H 4.745 0.006 1 1237 114 114 ASP HB2 H 2.913 0.007 1 1238 114 114 ASP HB3 H 2.898 0.011 1 1239 114 114 ASP CA C 51.905 0.023 1 1240 114 114 ASP CB C 41.846 0.000 1 1241 115 115 PRO HA H 4.297 0.017 1 1242 115 115 PRO HB2 H 2.261 0.012 1 1243 115 115 PRO HB3 H 1.920 0.004 1 1244 115 115 PRO HG2 H 1.992 0.009 1 1245 115 115 PRO HG3 H 1.932 0.004 1 1246 115 115 PRO HD2 H 3.859 0.031 1 1247 115 115 PRO HD3 H 4.006 0.021 1 1248 115 115 PRO C C 176.216 0.000 1 1249 115 115 PRO CA C 64.277 0.041 1 1250 115 115 PRO CB C 32.258 0.030 1 1251 115 115 PRO CG C 27.101 0.061 1 1252 115 115 PRO CD C 51.128 0.000 1 1253 116 116 LYS H H 8.354 0.005 1 1254 116 116 LYS HA H 4.085 0.032 1 1255 116 116 LYS HB2 H 1.764 0.026 1 1256 116 116 LYS HB3 H 1.771 0.030 1 1257 116 116 LYS HG2 H 1.377 0.005 1 1258 116 116 LYS HG3 H 1.377 0.005 1 1259 116 116 LYS HD2 H 1.626 0.003 1 1260 116 116 LYS HD3 H 1.626 0.003 1 1261 116 116 LYS HE2 H 2.924 0.007 1 1262 116 116 LYS HE3 H 2.924 0.007 1 1263 116 116 LYS C C 177.537 0.000 1 1264 116 116 LYS CA C 57.691 0.029 1 1265 116 116 LYS CB C 31.946 0.020 1 1266 116 116 LYS CG C 25.202 0.098 1 1267 116 116 LYS CD C 28.784 0.023 1 1268 116 116 LYS CE C 41.621 0.026 1 1269 116 116 LYS N N 118.003 0.066 1 1270 117 117 LEU H H 7.365 0.006 1 1271 117 117 LEU HA H 4.226 0.014 1 1272 117 117 LEU HB2 H 1.611 0.025 1 1273 117 117 LEU HB3 H 1.423 0.008 1 1274 117 117 LEU HG H 1.371 0.032 1 1275 117 117 LEU HD1 H 0.650 0.011 1 1276 117 117 LEU HD2 H 0.687 0.011 1 1277 117 117 LEU C C 176.663 0.000 1 1278 117 117 LEU CA C 54.648 0.136 1 1279 117 117 LEU CB C 42.099 0.062 1 1280 117 117 LEU CG C 27.266 0.042 1 1281 117 117 LEU CD1 C 23.124 0.018 1 1282 117 117 LEU CD2 C 25.525 0.029 1 1283 117 117 LEU N N 118.183 0.085 1 1284 118 118 ALA H H 7.467 0.005 1 1285 118 118 ALA HA H 4.157 0.017 1 1286 118 118 ALA HB H 1.203 0.006 1 1287 118 118 ALA C C 177.717 0.000 1 1288 118 118 ALA CA C 52.972 0.073 1 1289 118 118 ALA CB C 19.293 0.062 1 1290 118 118 ALA N N 121.148 0.077 1 1291 119 119 VAL H H 7.718 0.007 1 1292 119 119 VAL HA H 3.909 0.009 1 1293 119 119 VAL HB H 1.796 0.006 1 1294 119 119 VAL HG1 H 0.546 0.004 1 1295 119 119 VAL HG2 H 0.549 0.002 1 1296 119 119 VAL C C 175.056 0.000 1 1297 119 119 VAL CA C 62.219 0.086 1 1298 119 119 VAL CB C 32.513 0.069 1 1299 119 119 VAL CG1 C 20.263 0.041 1 1300 119 119 VAL CG2 C 20.259 0.039 1 1301 119 119 VAL N N 117.064 0.050 1 1302 120 120 GLY H H 8.143 0.011 1 1303 120 120 GLY HA2 H 3.901 0.011 1 1304 120 120 GLY HA3 H 3.697 0.006 1 1305 120 120 GLY C C 177.784 0.000 1 1306 120 120 GLY CA C 45.643 0.101 1 1307 120 120 GLY N N 110.627 0.107 1 1308 121 121 ASP H H 8.169 0.012 1 1309 121 121 ASP HA H 4.474 0.003 1 1310 121 121 ASP HB2 H 2.770 0.000 1 1311 121 121 ASP HB3 H 2.682 0.015 1 1312 121 121 ASP C C 177.590 0.000 1 1313 121 121 ASP CA C 55.032 0.079 1 1314 121 121 ASP CB C 41.329 0.040 1 1315 121 121 ASP N N 120.503 0.095 1 1316 122 122 ASP H H 8.019 0.004 1 1317 122 122 ASP HA H 4.543 0.025 1 1318 122 122 ASP HB2 H 2.660 0.003 1 1319 122 122 ASP HB3 H 2.528 0.006 1 1320 122 122 ASP CA C 54.161 0.091 1 1321 122 122 ASP CB C 41.978 0.041 1 1322 122 122 ASP N N 119.757 0.065 1 1323 123 123 SER HA H 4.019 0.004 1 1324 123 123 SER HB2 H 3.895 0.049 1 1325 123 123 SER HB3 H 3.895 0.049 1 1326 123 123 SER C C 177.928 0.000 1 1327 123 123 SER CA C 59.740 0.000 1 1328 123 123 SER CB C 65.048 0.274 1 1329 124 124 GLN H H 7.416 0.005 1 1330 124 124 GLN HA H 4.036 0.014 1 1331 124 124 GLN HB2 H 2.041 0.020 1 1332 124 124 GLN HB3 H 1.957 0.012 1 1333 124 124 GLN HG2 H 2.373 0.005 1 1334 124 124 GLN HG3 H 2.371 0.008 1 1335 124 124 GLN HE21 H 7.359 0.001 1 1336 124 124 GLN HE22 H 6.727 0.009 1 1337 124 124 GLN C C 177.368 0.000 1 1338 124 124 GLN CA C 58.288 0.059 1 1339 124 124 GLN CB C 28.762 0.056 1 1340 124 124 GLN CG C 33.709 0.071 1 1341 124 124 GLN N N 116.387 0.051 1 1342 124 124 GLN NE2 N 111.059 0.085 1 1343 125 125 TYR H H 7.332 0.014 1 1344 125 125 TYR HA H 4.707 0.002 1 1345 125 125 TYR HB2 H 2.731 0.004 1 1346 125 125 TYR HB3 H 2.495 0.019 1 1347 125 125 TYR HD1 H 6.624 0.018 3 1348 125 125 TYR HD2 H 6.624 0.018 3 1349 125 125 TYR HE1 H 6.670 0.027 3 1350 125 125 TYR HE2 H 6.670 0.027 3 1351 125 125 TYR C C 174.530 0.000 1 1352 125 125 TYR CA C 52.754 0.049 1 1353 125 125 TYR CB C 38.733 0.068 1 1354 125 125 TYR CD1 C 128.050 0.011 3 1355 125 125 TYR CD2 C 128.050 0.011 3 1356 125 125 TYR CE1 C 121.874 0.012 3 1357 125 125 TYR CE2 C 121.874 0.012 3 1358 125 125 TYR N N 113.605 0.061 1 1359 126 126 ASN H H 7.267 0.007 1 1360 126 126 ASN HA H 4.431 0.000 1 1361 126 126 ASN HB2 H 3.042 0.000 1 1362 126 126 ASN HB3 H 2.746 0.000 1 1363 126 126 ASN CA C 52.781 0.000 1 1364 126 126 ASN CB C 39.076 0.000 1 1365 126 126 ASN N N 118.704 0.072 1 1366 127 127 LYS HA H 4.318 0.013 1 1367 127 127 LYS HB2 H 2.058 0.000 1 1368 127 127 LYS HB3 H 2.058 0.000 1 1369 127 127 LYS HE2 H 2.912 0.022 1 1370 127 127 LYS HE3 H 2.912 0.022 1 1371 127 127 LYS C C 179.980 0.000 1 1372 127 127 LYS CA C 59.668 0.131 1 1373 127 127 LYS CB C 31.560 0.000 1 1374 127 127 LYS CE C 41.899 0.000 1 1375 128 128 VAL H H 7.671 0.007 1 1376 128 128 VAL HA H 3.731 0.005 1 1377 128 128 VAL HB H 2.056 0.004 1 1378 128 128 VAL HG1 H 0.824 0.004 1 1379 128 128 VAL HG2 H 0.924 0.004 1 1380 128 128 VAL C C 177.424 0.000 1 1381 128 128 VAL CA C 65.927 0.137 1 1382 128 128 VAL CB C 31.982 0.065 1 1383 128 128 VAL CG1 C 22.388 0.015 1 1384 128 128 VAL CG2 C 21.753 0.033 1 1385 128 128 VAL N N 120.716 0.021 1 1386 129 129 ILE H H 8.305 0.022 1 1387 129 129 ILE HA H 3.543 0.025 1 1388 129 129 ILE HG2 H 0.815 0.014 1 1389 129 129 ILE HD1 H 0.621 0.022 1 1390 129 129 ILE C C 178.270 0.000 1 1391 129 129 ILE CA C 66.691 0.016 1 1392 129 129 ILE CB C 38.084 0.000 1 1393 129 129 ILE CG2 C 19.366 0.031 1 1394 129 129 ILE CD1 C 14.502 0.029 1 1395 129 129 ILE N N 120.127 0.047 1 1396 130 130 ASN H H 8.317 0.017 1 1397 130 130 ASN HA H 4.143 0.009 1 1398 130 130 ASN HB2 H 2.717 0.009 1 1399 130 130 ASN HB3 H 2.582 0.003 1 1400 130 130 ASN HD21 H 7.398 0.020 1 1401 130 130 ASN HD22 H 6.622 0.012 1 1402 130 130 ASN C C 177.286 0.000 1 1403 130 130 ASN CA C 57.385 0.057 1 1404 130 130 ASN CB C 39.062 0.131 1 1405 130 130 ASN N N 118.445 0.059 1 1406 130 130 ASN ND2 N 113.087 0.000 1 1407 131 131 GLY H H 7.952 0.008 1 1408 131 131 GLY HA2 H 3.849 0.021 1 1409 131 131 GLY HA3 H 3.987 0.005 1 1410 131 131 GLY C C 177.032 0.000 1 1411 131 131 GLY CA C 47.267 0.148 1 1412 131 131 GLY N N 105.585 0.066 1 1413 132 132 ILE H H 8.502 0.006 1 1414 132 132 ILE HA H 3.470 0.020 1 1415 132 132 ILE HB H 2.012 0.041 1 1416 132 132 ILE HG12 H 0.889 0.020 1 1417 132 132 ILE HG13 H 0.889 0.020 1 1418 132 132 ILE HG2 H 0.745 0.030 1 1419 132 132 ILE HD1 H 1.118 0.027 1 1420 132 132 ILE C C 177.910 0.000 1 1421 132 132 ILE CA C 66.516 0.053 1 1422 132 132 ILE CB C 38.564 0.067 1 1423 132 132 ILE CG1 C 23.830 0.009 1 1424 132 132 ILE CG2 C 18.891 0.038 1 1425 132 132 ILE CD1 C 15.983 0.027 1 1426 132 132 ILE N N 122.136 0.049 1 1427 133 133 CYS H H 8.253 0.016 1 1428 133 133 CYS HA H 3.507 0.010 1 1429 133 133 CYS HB2 H 2.947 0.019 1 1430 133 133 CYS HB3 H 2.584 0.023 1 1431 133 133 CYS C C 176.078 0.000 1 1432 133 133 CYS CA C 64.574 0.107 1 1433 133 133 CYS CB C 26.576 0.087 1 1434 133 133 CYS N N 116.668 0.042 1 1435 134 134 LEU H H 7.964 0.003 1 1436 134 134 LEU HA H 3.830 0.023 1 1437 134 134 LEU HB2 H 1.692 0.010 1 1438 134 134 LEU HB3 H 1.377 0.004 1 1439 134 134 LEU HG H 1.070 0.000 1 1440 134 134 LEU HD1 H 0.764 0.029 1 1441 134 134 LEU HD2 H 0.673 0.002 1 1442 134 134 LEU C C 178.918 0.000 1 1443 134 134 LEU CA C 58.000 0.000 1 1444 134 134 LEU CB C 41.482 0.040 1 1445 134 134 LEU CG C 27.709 0.000 1 1446 134 134 LEU CD1 C 25.181 0.049 1 1447 134 134 LEU CD2 C 22.606 0.026 1 1448 134 134 LEU N N 115.946 0.054 1 1449 135 135 LYS H H 7.397 0.009 1 1450 135 135 LYS HA H 4.019 0.011 1 1451 135 135 LYS HB2 H 1.710 0.009 1 1452 135 135 LYS HB3 H 1.711 0.003 1 1453 135 135 LYS HD2 H 1.406 0.012 1 1454 135 135 LYS HD3 H 1.406 0.012 1 1455 135 135 LYS C C 178.847 0.000 1 1456 135 135 LYS CA C 57.203 0.004 1 1457 135 135 LYS CB C 31.479 0.117 1 1458 135 135 LYS CD C 27.738 0.000 1 1459 135 135 LYS N N 118.143 0.041 1 1460 136 136 VAL H H 8.215 0.007 1 1461 136 136 VAL HA H 2.893 0.017 1 1462 136 136 VAL HB H 1.953 0.019 1 1463 136 136 VAL HG1 H -0.107 0.015 1 1464 136 136 VAL HG2 H 0.537 0.026 1 1465 136 136 VAL C C 177.518 0.000 1 1466 136 136 VAL CA C 67.167 0.086 1 1467 136 136 VAL CB C 31.220 0.107 1 1468 136 136 VAL CG1 C 21.814 0.019 1 1469 136 136 VAL CG2 C 21.295 0.056 1 1470 136 136 VAL N N 120.144 0.066 1 1471 137 137 LEU H H 7.346 0.009 1 1472 137 137 LEU HA H 3.858 0.013 1 1473 137 137 LEU HB2 H 1.962 0.016 1 1474 137 137 LEU HB3 H 1.971 0.010 1 1475 137 137 LEU HG H 1.069 0.014 1 1476 137 137 LEU HD1 H 0.754 0.027 1 1477 137 137 LEU HD2 H 0.641 0.016 1 1478 137 137 LEU C C 178.641 0.000 1 1479 137 137 LEU CA C 57.316 0.025 1 1480 137 137 LEU CB C 42.208 0.000 1 1481 137 137 LEU CG C 27.903 0.040 1 1482 137 137 LEU CD1 C 24.413 0.044 1 1483 137 137 LEU CD2 C 25.431 0.038 1 1484 137 137 LEU N N 114.062 0.072 1 1485 138 138 ASP H H 7.236 0.005 1 1486 138 138 ASP HA H 4.542 0.005 1 1487 138 138 ASP HB2 H 2.600 0.008 1 1488 138 138 ASP HB3 H 2.602 0.011 1 1489 138 138 ASP C C 177.745 0.000 1 1490 138 138 ASP CA C 55.919 0.085 1 1491 138 138 ASP CB C 42.565 0.060 1 1492 138 138 ASP N N 115.573 0.061 1 1493 139 139 LYS H H 7.957 0.012 1 1494 139 139 LYS HA H 4.334 0.005 1 1495 139 139 LYS HB2 H 1.937 0.011 1 1496 139 139 LYS HB3 H 1.939 0.011 1 1497 139 139 LYS HG2 H 1.555 0.038 1 1498 139 139 LYS HG3 H 1.658 0.011 1 1499 139 139 LYS HD2 H 1.651 0.011 1 1500 139 139 LYS HD3 H 1.651 0.011 1 1501 139 139 LYS HE2 H 2.849 0.010 1 1502 139 139 LYS HE3 H 2.981 0.002 1 1503 139 139 LYS C C 177.782 0.000 1 1504 139 139 LYS CA C 56.903 0.051 1 1505 139 139 LYS CB C 34.494 0.141 1 1506 139 139 LYS CG C 23.711 0.043 1 1507 139 139 LYS CD C 27.385 0.019 1 1508 139 139 LYS CE C 40.919 0.038 1 1509 139 139 LYS N N 117.773 0.059 1 1510 140 140 VAL H H 7.496 0.004 1 1511 140 140 VAL HA H 4.384 0.006 1 1512 140 140 VAL HB H 2.601 0.008 1 1513 140 140 VAL HG1 H 1.211 0.021 1 1514 140 140 VAL HG2 H 0.929 0.020 1 1515 140 140 VAL C C 175.689 0.000 1 1516 140 140 VAL CA C 61.200 0.158 1 1517 140 140 VAL CB C 32.434 0.055 1 1518 140 140 VAL CG1 C 22.244 0.058 1 1519 140 140 VAL CG2 C 20.213 0.038 1 1520 140 140 VAL N N 109.377 0.054 1 1521 141 141 ASP H H 8.694 0.012 1 1522 141 141 ASP HA H 4.352 0.019 1 1523 141 141 ASP HB2 H 2.774 0.008 1 1524 141 141 ASP HB3 H 2.510 0.010 1 1525 141 141 ASP C C 176.823 0.000 1 1526 141 141 ASP CA C 55.962 0.028 1 1527 141 141 ASP CB C 43.304 0.080 1 1528 141 141 ASP N N 121.656 0.066 1 1529 142 142 PHE H H 9.098 0.005 1 1530 142 142 PHE HA H 4.356 0.019 1 1531 142 142 PHE HB2 H 3.379 0.025 1 1532 142 142 PHE HB3 H 2.632 0.027 1 1533 142 142 PHE HD1 H 7.112 0.024 3 1534 142 142 PHE HD2 H 7.112 0.024 3 1535 142 142 PHE HE1 H 7.038 0.035 3 1536 142 142 PHE HE2 H 7.038 0.035 3 1537 142 142 PHE HZ H 6.822 0.020 1 1538 142 142 PHE C C 177.469 0.000 1 1539 142 142 PHE CA C 61.057 0.074 1 1540 142 142 PHE CB C 40.670 0.062 1 1541 142 142 PHE CD1 C 131.413 0.107 3 1542 142 142 PHE CD2 C 131.413 0.107 3 1543 142 142 PHE CE1 C 131.163 0.057 3 1544 142 142 PHE CE2 C 131.163 0.057 3 1545 142 142 PHE CZ C 129.204 0.033 1 1546 142 142 PHE N N 128.237 0.085 1 1547 143 143 THR H H 8.623 0.006 1 1548 143 143 THR HA H 3.430 0.005 1 1549 143 143 THR HB H 4.170 0.010 1 1550 143 143 THR HG2 H 1.226 0.007 1 1551 143 143 THR C C 176.361 0.000 1 1552 143 143 THR CA C 67.827 0.038 1 1553 143 143 THR CB C 72.945 0.118 1 1554 143 143 THR CG2 C 22.848 0.072 1 1555 143 143 THR N N 119.873 0.121 1 1556 144 144 ASN H H 9.271 0.008 1 1557 144 144 ASN HA H 4.043 0.005 1 1558 144 144 ASN HB2 H 2.758 0.006 1 1559 144 144 ASN HB3 H 2.758 0.006 1 1560 144 144 ASN HD21 H 6.914 0.005 1 1561 144 144 ASN HD22 H 6.616 0.000 1 1562 144 144 ASN C C 177.646 0.000 1 1563 144 144 ASN CA C 55.517 0.029 1 1564 144 144 ASN CB C 38.319 0.050 1 1565 144 144 ASN N N 123.897 0.108 1 1566 145 145 LEU H H 8.710 0.006 1 1567 145 145 LEU HA H 3.780 0.005 1 1568 145 145 LEU HB2 H 1.753 0.020 1 1569 145 145 LEU HB3 H 1.551 0.032 1 1570 145 145 LEU HG H 1.043 0.042 1 1571 145 145 LEU HD1 H 0.634 0.013 1 1572 145 145 LEU HD2 H 0.695 0.044 1 1573 145 145 LEU C C 175.586 0.000 1 1574 145 145 LEU CA C 58.210 0.019 1 1575 145 145 LEU CB C 41.866 0.153 1 1576 145 145 LEU CG C 27.340 0.000 1 1577 145 145 LEU CD1 C 22.215 0.049 1 1578 145 145 LEU CD2 C 26.524 0.013 1 1579 145 145 LEU N N 119.362 0.060 1 1580 146 146 ASN H H 7.444 0.008 1 1581 146 146 ASN HA H 4.311 0.000 1 1582 146 146 ASN HB2 H 3.596 0.016 1 1583 146 146 ASN HD21 H 6.118 0.003 1 1584 146 146 ASN C C 177.628 0.000 1 1585 146 146 ASN CA C 58.353 0.000 1 1586 146 146 ASN CB C 39.977 0.035 1 1587 146 146 ASN N N 115.666 0.110 1 1588 146 146 ASN ND2 N 106.616 0.083 1 1589 147 147 CYS H H 8.265 0.006 1 1590 147 147 CYS HA H 3.767 0.033 1 1591 147 147 CYS HB2 H 2.701 0.001 1 1592 147 147 CYS HB3 H 2.799 0.016 1 1593 147 147 CYS C C 175.437 0.000 1 1594 147 147 CYS CA C 65.235 0.065 1 1595 147 147 CYS CB C 26.975 0.005 1 1596 147 147 CYS N N 114.926 0.104 1 1597 148 148 ALA H H 8.388 0.005 1 1598 148 148 ALA HA H 3.509 0.013 1 1599 148 148 ALA HB H 1.330 0.005 1 1600 148 148 ALA C C 179.200 0.000 1 1601 148 148 ALA CA C 55.494 0.126 1 1602 148 148 ALA CB C 19.304 0.038 1 1603 148 148 ALA N N 120.043 0.084 1 1604 149 149 LEU H H 7.948 0.011 1 1605 149 149 LEU HA H 3.836 0.023 1 1606 149 149 LEU HB2 H 2.360 0.002 1 1607 149 149 LEU HB3 H 1.790 0.006 1 1608 149 149 LEU HG H 1.062 0.018 1 1609 149 149 LEU HD1 H 0.492 0.010 1 1610 149 149 LEU HD2 H 0.472 0.026 1 1611 149 149 LEU C C 178.563 0.000 1 1612 149 149 LEU CA C 57.698 0.087 1 1613 149 149 LEU CB C 39.648 0.103 1 1614 149 149 LEU CG C 26.697 0.000 1 1615 149 149 LEU CD1 C 21.358 0.020 1 1616 149 149 LEU CD2 C 26.373 0.016 1 1617 149 149 LEU N N 113.987 0.082 1 1618 150 150 ILE H H 7.590 0.009 1 1619 150 150 ILE HA H 3.290 0.019 1 1620 150 150 ILE HB H 1.595 0.011 1 1621 150 150 ILE HG2 H 0.562 0.023 1 1622 150 150 ILE HD1 H 0.444 0.024 1 1623 150 150 ILE C C 179.844 0.000 1 1624 150 150 ILE CA C 66.243 0.000 1 1625 150 150 ILE CB C 38.425 0.073 1 1626 150 150 ILE CG2 C 15.844 0.019 1 1627 150 150 ILE CD1 C 13.513 0.028 1 1628 150 150 ILE N N 119.169 0.059 1 1629 151 151 ARG H H 8.655 0.010 1 1630 151 151 ARG HA H 3.396 0.008 1 1631 151 151 ARG HB2 H 1.546 0.029 1 1632 151 151 ARG HB3 H 1.562 0.001 1 1633 151 151 ARG HG2 H 1.314 0.010 1 1634 151 151 ARG HG3 H 1.314 0.010 1 1635 151 151 ARG C C 177.563 0.000 1 1636 151 151 ARG CA C 60.911 0.105 1 1637 151 151 ARG CB C 31.073 0.037 1 1638 151 151 ARG CG C 28.161 0.000 1 1639 151 151 ARG N N 119.922 0.052 1 1640 152 152 LEU H H 8.106 0.008 1 1641 152 152 LEU HA H 4.344 0.034 1 1642 152 152 LEU HB2 H 1.377 0.035 1 1643 152 152 LEU HD1 H 0.828 0.027 1 1644 152 152 LEU HD2 H 0.696 0.034 1 1645 152 152 LEU C C 178.304 0.000 1 1646 152 152 LEU CA C 55.690 0.064 1 1647 152 152 LEU CB C 38.170 0.000 1 1648 152 152 LEU CD1 C 25.525 0.060 1 1649 152 152 LEU CD2 C 26.498 0.056 1 1650 152 152 LEU N N 116.627 0.051 1 1651 153 153 LEU H H 8.760 0.004 1 1652 153 153 LEU HA H 4.061 0.028 1 1653 153 153 LEU HB2 H 1.440 0.031 1 1654 153 153 LEU HB3 H 1.429 0.028 1 1655 153 153 LEU HG H 1.272 0.000 1 1656 153 153 LEU HD1 H 0.842 0.018 1 1657 153 153 LEU HD2 H 0.708 0.022 1 1658 153 153 LEU C C 178.359 0.000 1 1659 153 153 LEU CA C 58.286 0.110 1 1660 153 153 LEU CB C 40.908 0.000 1 1661 153 153 LEU CG C 27.012 0.000 1 1662 153 153 LEU CD1 C 25.563 0.039 1 1663 153 153 LEU CD2 C 22.880 0.027 1 1664 153 153 LEU N N 123.266 0.069 1 1665 154 154 ARG H H 8.667 0.005 1 1666 154 154 ARG HA H 3.646 0.029 1 1667 154 154 ARG HB2 H 1.950 0.024 1 1668 154 154 ARG HB3 H 2.289 0.000 1 1669 154 154 ARG HG2 H 1.726 0.020 1 1670 154 154 ARG HG3 H 1.726 0.020 1 1671 154 154 ARG HD2 H 3.048 0.010 1 1672 154 154 ARG HD3 H 3.048 0.010 1 1673 154 154 ARG C C 177.731 0.000 1 1674 154 154 ARG CA C 59.205 0.058 1 1675 154 154 ARG CB C 29.043 0.060 1 1676 154 154 ARG CG C 29.530 0.000 1 1677 154 154 ARG N N 121.051 0.046 1 1678 155 155 GLU H H 8.038 0.004 1 1679 155 155 GLU HA H 3.821 0.008 1 1680 155 155 GLU HB2 H 1.898 0.006 1 1681 155 155 GLU HB3 H 2.100 0.023 1 1682 155 155 GLU HG2 H 2.445 0.004 1 1683 155 155 GLU HG3 H 2.092 0.013 1 1684 155 155 GLU C C 178.619 0.000 1 1685 155 155 GLU CA C 58.333 0.104 1 1686 155 155 GLU CB C 30.826 0.056 1 1687 155 155 GLU CG C 36.684 0.042 1 1688 155 155 GLU N N 114.054 0.051 1 1689 156 156 THR H H 7.797 0.005 1 1690 156 156 THR HA H 4.275 0.006 1 1691 156 156 THR HB H 4.089 0.039 1 1692 156 156 THR HG2 H 1.251 0.028 1 1693 156 156 THR C C 176.971 0.000 1 1694 156 156 THR CA C 63.647 0.012 1 1695 156 156 THR CB C 70.830 0.031 1 1696 156 156 THR CG2 C 24.929 0.000 1 1697 156 156 THR N N 108.070 0.104 1 1698 157 157 CYS H H 8.102 0.011 1 1699 157 157 CYS HA H 4.019 0.015 1 1700 157 157 CYS HB2 H 3.048 0.028 1 1701 157 157 CYS HB3 H 2.534 0.005 1 1702 157 157 CYS CA C 58.762 0.021 1 1703 157 157 CYS CB C 30.219 0.047 1 1704 157 157 CYS N N 121.275 0.067 1 1705 158 158 PRO HA H 4.474 0.004 1 1706 158 158 PRO HB2 H 1.803 0.016 1 1707 158 158 PRO HB3 H 2.169 0.033 1 1708 158 158 PRO HG2 H 1.492 0.006 1 1709 158 158 PRO HG3 H 1.816 0.013 1 1710 158 158 PRO HD2 H 3.231 0.003 1 1711 158 158 PRO HD3 H 3.658 0.009 1 1712 158 158 PRO C C 176.838 0.000 1 1713 158 158 PRO CA C 65.483 0.148 1 1714 158 158 PRO CB C 31.602 0.043 1 1715 158 158 PRO CG C 28.329 0.026 1 1716 158 158 PRO CD C 51.473 0.020 1 1717 159 159 GLU H H 7.458 0.005 1 1718 159 159 GLU HA H 4.300 0.005 1 1719 159 159 GLU HB2 H 1.853 0.006 1 1720 159 159 GLU HB3 H 1.952 0.004 1 1721 159 159 GLU HG2 H 2.184 0.010 1 1722 159 159 GLU HG3 H 2.032 0.006 1 1723 159 159 GLU C C 175.574 0.000 1 1724 159 159 GLU CA C 55.552 0.133 1 1725 159 159 GLU CB C 31.261 0.073 1 1726 159 159 GLU CG C 36.364 0.018 1 1727 159 159 GLU N N 115.464 0.087 1 1728 160 160 ALA H H 8.096 0.008 1 1729 160 160 ALA HA H 4.291 0.007 1 1730 160 160 ALA HB H 1.265 0.005 1 1731 160 160 ALA C C 175.955 0.000 1 1732 160 160 ALA CA C 52.359 0.103 1 1733 160 160 ALA CB C 18.013 0.135 1 1734 160 160 ALA N N 124.421 0.058 1 1735 161 161 LYS H H 7.979 0.014 1 1736 161 161 LYS HA H 4.226 0.007 1 1737 161 161 LYS HB2 H 1.621 0.027 1 1738 161 161 LYS HB3 H 1.632 0.007 1 1739 161 161 LYS HG2 H 1.279 0.011 1 1740 161 161 LYS HG3 H 1.206 0.019 1 1741 161 161 LYS HD2 H 1.317 0.002 1 1742 161 161 LYS HD3 H 1.413 0.005 1 1743 161 161 LYS HE2 H 2.539 0.004 1 1744 161 161 LYS HE3 H 2.319 0.004 1 1745 161 161 LYS C C 176.817 0.000 1 1746 161 161 LYS CA C 55.034 0.192 1 1747 161 161 LYS CB C 33.070 0.055 1 1748 161 161 LYS CG C 24.635 0.032 1 1749 161 161 LYS CD C 27.803 0.038 1 1750 161 161 LYS CE C 41.191 0.060 1 1751 161 161 LYS N N 119.861 0.120 1 1752 162 162 LEU H H 8.313 0.009 1 1753 162 162 LEU HA H 4.620 0.006 1 1754 162 162 LEU HB2 H 1.627 0.019 1 1755 162 162 LEU HB3 H 1.636 0.015 1 1756 162 162 LEU HG H 1.263 0.035 1 1757 162 162 LEU HD1 H 0.897 0.016 1 1758 162 162 LEU HD2 H 0.896 0.002 1 1759 162 162 LEU CA C 53.013 0.023 1 1760 162 162 LEU CB C 42.245 0.000 1 1761 162 162 LEU CD1 C 23.668 0.029 1 1762 162 162 LEU CD2 C 25.686 0.018 1 1763 162 162 LEU N N 121.678 0.024 1 1764 163 163 PRO HA H 4.261 0.003 1 1765 163 163 PRO HB2 H 2.321 0.020 1 1766 163 163 PRO HB3 H 1.895 0.029 1 1767 163 163 PRO HG2 H 1.904 0.000 1 1768 163 163 PRO HG3 H 2.050 0.004 1 1769 163 163 PRO HD2 H 3.813 0.010 1 1770 163 163 PRO HD3 H 4.137 0.004 1 1771 163 163 PRO C C 178.421 0.000 1 1772 163 163 PRO CA C 65.632 0.030 1 1773 163 163 PRO CB C 31.834 0.000 1 1774 163 163 PRO CG C 27.491 0.055 1 1775 163 163 PRO CD C 51.012 0.000 1 1776 164 164 LYS H H 8.359 0.012 1 1777 164 164 LYS HA H 4.087 0.017 1 1778 164 164 LYS HB2 H 1.664 0.016 1 1779 164 164 LYS HB3 H 1.845 0.004 1 1780 164 164 LYS HG2 H 1.387 0.003 1 1781 164 164 LYS HG3 H 1.523 0.004 1 1782 164 164 LYS HD2 H 1.691 0.011 1 1783 164 164 LYS HD3 H 1.691 0.011 1 1784 164 164 LYS HE2 H 2.874 0.006 1 1785 164 164 LYS HE3 H 2.874 0.006 1 1786 164 164 LYS C C 178.297 0.000 1 1787 164 164 LYS CA C 58.995 0.043 1 1788 164 164 LYS CB C 32.822 0.051 1 1789 164 164 LYS CG C 25.453 0.039 1 1790 164 164 LYS CD C 29.205 0.025 1 1791 164 164 LYS CE C 41.780 0.000 1 1792 164 164 LYS N N 115.765 0.120 1 1793 165 165 PHE H H 7.663 0.005 1 1794 165 165 PHE HA H 3.732 0.022 1 1795 165 165 PHE HB2 H 3.365 0.008 1 1796 165 165 PHE HB3 H 2.800 0.026 1 1797 165 165 PHE HD1 H 6.835 0.017 3 1798 165 165 PHE HD2 H 6.835 0.017 3 1799 165 165 PHE HE1 H 7.353 0.007 3 1800 165 165 PHE HE2 H 7.353 0.007 3 1801 165 165 PHE HZ H 7.060 0.003 1 1802 165 165 PHE C C 179.824 0.000 1 1803 165 165 PHE CA C 61.967 0.015 1 1804 165 165 PHE CB C 39.376 0.057 1 1805 165 165 PHE CD1 C 131.999 0.010 3 1806 165 165 PHE CD2 C 131.999 0.010 3 1807 165 165 PHE CE1 C 131.961 0.055 3 1808 165 165 PHE CE2 C 131.961 0.055 3 1809 165 165 PHE CZ C 128.917 0.000 1 1810 165 165 PHE N N 117.819 0.041 1 1811 166 166 THR H H 7.562 0.009 1 1812 166 166 THR HA H 4.152 0.015 1 1813 166 166 THR HB H 4.147 0.008 1 1814 166 166 THR HG2 H 1.227 0.019 1 1815 166 166 THR C C 175.952 0.000 1 1816 166 166 THR CA C 66.697 0.146 1 1817 166 166 THR CB C 68.263 0.066 1 1818 166 166 THR CG2 C 22.258 0.016 1 1819 166 166 THR N N 114.653 0.056 1 1820 167 167 ASP H H 8.186 0.005 1 1821 167 167 ASP HA H 4.167 0.029 1 1822 167 167 ASP HB2 H 2.622 0.031 1 1823 167 167 ASP HB3 H 2.527 0.007 1 1824 167 167 ASP C C 178.730 0.000 1 1825 167 167 ASP CA C 57.946 0.055 1 1826 167 167 ASP CB C 41.267 0.170 1 1827 167 167 ASP N N 121.297 0.067 1 1828 168 168 LEU H H 7.813 0.011 1 1829 168 168 LEU HA H 3.793 0.026 1 1830 168 168 LEU HB2 H 1.800 0.015 1 1831 168 168 LEU HB3 H 1.687 0.022 1 1832 168 168 LEU HG H 1.098 0.013 1 1833 168 168 LEU HD1 H 0.744 0.043 1 1834 168 168 LEU HD2 H 0.517 0.029 1 1835 168 168 LEU C C 179.403 0.000 1 1836 168 168 LEU CA C 57.611 0.016 1 1837 168 168 LEU CB C 41.511 0.109 1 1838 168 168 LEU CG C 27.107 0.000 1 1839 168 168 LEU CD1 C 22.601 0.000 1 1840 168 168 LEU CD2 C 25.699 0.013 1 1841 168 168 LEU N N 118.967 0.057 1 1842 169 169 LEU H H 8.124 0.009 1 1843 169 169 LEU HA H 3.642 0.035 1 1844 169 169 LEU HB2 H 1.802 0.028 1 1845 169 169 LEU HB3 H 1.277 0.032 1 1846 169 169 LEU HG H 0.855 0.014 1 1847 169 169 LEU HD1 H 0.729 0.015 1 1848 169 169 LEU HD2 H 0.308 0.014 1 1849 169 169 LEU C C 178.811 0.000 1 1850 169 169 LEU CA C 58.399 0.083 1 1851 169 169 LEU CB C 40.448 0.128 1 1852 169 169 LEU CG C 27.381 0.000 1 1853 169 169 LEU CD1 C 23.769 0.016 1 1854 169 169 LEU CD2 C 25.052 0.096 1 1855 169 169 LEU N N 121.582 0.043 1 1856 170 170 MET H H 8.458 0.013 1 1857 170 170 MET HA H 3.810 0.030 1 1858 170 170 MET HB2 H 2.118 0.016 1 1859 170 170 MET HB3 H 1.585 0.011 1 1860 170 170 MET HG2 H 2.258 0.020 1 1861 170 170 MET HG3 H 2.681 0.006 1 1862 170 170 MET HE H 1.836 0.017 1 1863 170 170 MET C C 178.489 0.000 1 1864 170 170 MET CA C 58.529 0.009 1 1865 170 170 MET CB C 30.679 0.047 1 1866 170 170 MET CG C 32.599 0.028 1 1867 170 170 MET CE C 16.213 0.018 1 1868 170 170 MET N N 117.048 0.063 1 1869 171 171 LYS H H 8.470 0.011 1 1870 171 171 LYS HA H 3.813 0.040 1 1871 171 171 LYS HB2 H 1.816 0.007 1 1872 171 171 LYS HB3 H 1.819 0.005 1 1873 171 171 LYS HG2 H 1.269 0.012 1 1874 171 171 LYS HG3 H 1.269 0.012 1 1875 171 171 LYS C C 180.180 0.000 1 1876 171 171 LYS CA C 60.123 0.040 1 1877 171 171 LYS N N 117.239 0.074 1 1878 172 172 CYS H H 7.605 0.005 1 1879 172 172 CYS HA H 3.848 0.037 1 1880 172 172 CYS HB2 H 3.198 0.017 1 1881 172 172 CYS HB3 H 2.357 0.007 1 1882 172 172 CYS C C 179.259 0.000 1 1883 172 172 CYS CA C 64.078 0.050 1 1884 172 172 CYS CB C 26.716 0.058 1 1885 172 172 CYS N N 117.523 0.032 1 1886 173 173 ILE H H 7.842 0.014 1 1887 173 173 ILE HA H 3.326 0.010 1 1888 173 173 ILE HB H 1.610 0.022 1 1889 173 173 ILE HG2 H 0.723 0.023 1 1890 173 173 ILE HD1 H 0.496 0.022 1 1891 173 173 ILE C C 177.984 0.000 1 1892 173 173 ILE CA C 66.285 0.043 1 1893 173 173 ILE CB C 37.233 0.000 1 1894 173 173 ILE CG2 C 17.895 0.036 1 1895 173 173 ILE CD1 C 14.059 0.046 1 1896 173 173 ILE N N 119.690 0.107 1 1897 174 174 TRP H H 8.863 0.003 1 1898 174 174 TRP HA H 4.239 0.013 1 1899 174 174 TRP HB2 H 3.180 0.013 1 1900 174 174 TRP HB3 H 3.192 0.019 1 1901 174 174 TRP HD1 H 6.963 0.031 1 1902 174 174 TRP HE1 H 9.790 0.006 1 1903 174 174 TRP HE3 H 7.442 0.008 1 1904 174 174 TRP HZ2 H 7.239 0.016 1 1905 174 174 TRP HZ3 H 6.921 0.022 1 1906 174 174 TRP HH2 H 7.071 0.019 1 1907 174 174 TRP C C 178.669 0.000 1 1908 174 174 TRP CA C 60.482 0.008 1 1909 174 174 TRP CB C 28.742 0.102 1 1910 174 174 TRP CD1 C 126.177 0.033 1 1911 174 174 TRP CE2 C 138.911 0.000 1 1912 174 174 TRP CE3 C 120.411 0.017 1 1913 174 174 TRP CZ2 C 114.686 0.030 1 1914 174 174 TRP CZ3 C 121.679 0.032 1 1915 174 174 TRP CH2 C 124.383 0.022 1 1916 174 174 TRP N N 119.804 0.068 1 1917 174 174 TRP NE1 N 127.784 0.060 1 1918 175 175 ARG H H 7.606 0.007 1 1919 175 175 ARG HA H 3.904 0.011 1 1920 175 175 ARG HB2 H 1.831 0.008 1 1921 175 175 ARG HB3 H 1.836 0.003 1 1922 175 175 ARG HG2 H 1.492 0.044 1 1923 175 175 ARG HG3 H 1.317 0.035 1 1924 175 175 ARG HD2 H 2.799 0.002 1 1925 175 175 ARG HD3 H 2.799 0.002 1 1926 175 175 ARG C C 178.249 0.000 1 1927 175 175 ARG CA C 60.116 0.094 1 1928 175 175 ARG CB C 32.201 0.038 1 1929 175 175 ARG CG C 25.980 0.012 1 1930 175 175 ARG CD C 41.643 0.000 1 1931 175 175 ARG N N 119.643 0.062 1 1932 176 176 ASN H H 7.321 0.011 1 1933 176 176 ASN HA H 4.378 0.027 1 1934 176 176 ASN HB2 H 2.919 0.004 1 1935 176 176 ASN HB3 H 2.657 0.016 1 1936 176 176 ASN HD21 H 6.491 0.007 1 1937 176 176 ASN HD22 H 7.215 0.029 1 1938 176 176 ASN C C 177.860 0.000 1 1939 176 176 ASN CA C 56.172 0.092 1 1940 176 176 ASN CB C 37.904 0.023 1 1941 176 176 ASN N N 118.021 0.057 1 1942 176 176 ASN ND2 N 113.743 0.000 1 1943 177 177 VAL H H 8.337 0.006 1 1944 177 177 VAL HA H 3.326 0.010 1 1945 177 177 VAL HB H 2.114 0.034 1 1946 177 177 VAL HG1 H 0.694 0.026 1 1947 177 177 VAL HG2 H 0.675 0.031 1 1948 177 177 VAL C C 178.956 0.000 1 1949 177 177 VAL CA C 66.739 0.086 1 1950 177 177 VAL CB C 31.407 0.013 1 1951 177 177 VAL CG1 C 22.273 0.091 1 1952 177 177 VAL CG2 C 23.805 0.033 1 1953 177 177 VAL N N 119.317 0.097 1 1954 178 178 LYS H H 7.747 0.019 1 1955 178 178 LYS HA H 3.909 0.011 1 1956 178 178 LYS HB2 H 1.822 0.003 1 1957 178 178 LYS HB3 H 1.822 0.003 1 1958 178 178 LYS HG2 H 1.384 0.014 1 1959 178 178 LYS HG3 H 1.234 0.023 1 1960 178 178 LYS HE2 H 2.826 0.039 1 1961 178 178 LYS HE3 H 2.826 0.039 1 1962 178 178 LYS C C 177.935 0.000 1 1963 178 178 LYS CA C 59.270 0.102 1 1964 178 178 LYS CB C 32.285 0.073 1 1965 178 178 LYS CG C 25.667 0.028 1 1966 178 178 LYS CE C 41.780 0.000 1 1967 178 178 LYS N N 119.040 0.043 1 1968 179 179 MET H H 7.308 0.017 1 1969 179 179 MET HA H 4.476 0.007 1 1970 179 179 MET HB2 H 1.806 0.010 1 1971 179 179 MET HB3 H 2.118 0.013 1 1972 179 179 MET HG2 H 2.690 0.009 1 1973 179 179 MET HG3 H 2.538 0.003 1 1974 179 179 MET HE H 1.918 0.002 1 1975 179 179 MET C C 178.976 0.000 1 1976 179 179 MET CA C 55.214 0.119 1 1977 179 179 MET CB C 33.529 0.051 1 1978 179 179 MET CG C 32.113 0.025 1 1979 179 179 MET CE C 16.984 0.016 1 1980 179 179 MET N N 113.710 0.069 1 1981 180 180 LEU H H 7.567 0.006 1 1982 180 180 LEU HA H 3.998 0.023 1 1983 180 180 LEU HB2 H 1.934 0.006 1 1984 180 180 LEU HB3 H 1.583 0.006 1 1985 180 180 LEU HG H 1.769 0.008 1 1986 180 180 LEU HD1 H 0.677 0.020 1 1987 180 180 LEU HD2 H 0.782 0.006 1 1988 180 180 LEU CA C 60.704 0.048 1 1989 180 180 LEU CB C 40.055 0.030 1 1990 180 180 LEU CG C 27.814 0.036 1 1991 180 180 LEU CD1 C 24.494 0.023 1 1992 180 180 LEU CD2 C 26.304 0.014 1 1993 180 180 LEU N N 121.164 0.046 1 1994 181 181 PRO HA H 4.083 0.004 1 1995 181 181 PRO HB2 H 2.216 0.016 1 1996 181 181 PRO HB3 H 1.798 0.016 1 1997 181 181 PRO HG2 H 2.071 0.001 1 1998 181 181 PRO HG3 H 1.786 0.015 1 1999 181 181 PRO HD2 H 3.583 0.005 1 2000 181 181 PRO HD3 H 3.586 0.008 1 2001 181 181 PRO C C 178.921 0.000 1 2002 181 181 PRO CA C 66.715 0.048 1 2003 181 181 PRO CB C 30.750 0.071 1 2004 181 181 PRO CG C 28.675 0.020 1 2005 181 181 PRO CD C 50.054 0.000 1 2006 182 182 GLU H H 7.382 0.013 1 2007 182 182 GLU HA H 4.160 0.003 1 2008 182 182 GLU HB2 H 1.956 0.002 1 2009 182 182 GLU HB3 H 1.967 0.011 1 2010 182 182 GLU HG2 H 2.126 0.009 1 2011 182 182 GLU HG3 H 2.124 0.010 1 2012 182 182 GLU C C 177.942 0.000 1 2013 182 182 GLU CA C 58.104 0.000 1 2014 182 182 GLU CB C 30.561 0.066 1 2015 182 182 GLU CG C 36.435 0.000 1 2016 182 182 GLU N N 114.538 0.061 1 2017 183 183 ARG H H 7.706 0.004 1 2018 183 183 ARG HA H 4.520 0.012 1 2019 183 183 ARG HB2 H 1.956 0.023 1 2020 183 183 ARG HG2 H 1.251 0.012 1 2021 183 183 ARG HG3 H 1.097 0.011 1 2022 183 183 ARG HD2 H 2.776 0.025 1 2023 183 183 ARG HD3 H 2.776 0.025 1 2024 183 183 ARG C C 177.655 0.000 1 2025 183 183 ARG CA C 55.654 0.085 1 2026 183 183 ARG CB C 30.929 0.125 1 2027 183 183 ARG CD C 42.877 0.038 1 2028 183 183 ARG N N 116.203 0.052 1 2029 184 184 SER H H 7.424 0.005 1 2030 184 184 SER HA H 4.113 0.004 1 2031 184 184 SER HB2 H 3.941 0.006 1 2032 184 184 SER HB3 H 3.947 0.000 1 2033 184 184 SER C C 176.613 0.000 1 2034 184 184 SER CA C 62.334 0.068 1 2035 184 184 SER CB C 63.306 0.000 1 2036 184 184 SER N N 115.332 0.092 1 2037 185 185 ASN H H 8.591 0.008 1 2038 185 185 ASN HA H 4.551 0.013 1 2039 185 185 ASN HB2 H 2.779 0.007 1 2040 185 185 ASN HB3 H 2.782 0.006 1 2041 185 185 ASN HD21 H 7.062 0.008 1 2042 185 185 ASN HD22 H 7.633 0.000 1 2043 185 185 ASN C C 176.098 0.000 1 2044 185 185 ASN CA C 55.421 0.314 1 2045 185 185 ASN CB C 37.535 0.102 1 2046 185 185 ASN N N 115.434 0.100 1 2047 185 185 ASN ND2 N 111.487 0.000 1 2048 186 186 GLU H H 7.921 0.003 1 2049 186 186 GLU HA H 4.293 0.006 1 2050 186 186 GLU HB2 H 2.042 0.005 1 2051 186 186 GLU HB3 H 2.047 0.001 1 2052 186 186 GLU HG2 H 2.301 0.001 1 2053 186 186 GLU HG3 H 2.197 0.011 1 2054 186 186 GLU C C 176.301 0.000 1 2055 186 186 GLU CA C 56.391 0.069 1 2056 186 186 GLU CB C 31.757 0.031 1 2057 186 186 GLU CG C 36.787 0.000 1 2058 186 186 GLU N N 117.070 0.088 1 2059 187 187 LEU H H 7.395 0.006 1 2060 187 187 LEU HA H 4.171 0.005 1 2061 187 187 LEU HB2 H 1.471 0.015 1 2062 187 187 LEU HB3 H 1.267 0.017 1 2063 187 187 LEU HG H 1.027 0.020 1 2064 187 187 LEU HD1 H 0.461 0.007 1 2065 187 187 LEU HD2 H 0.109 0.024 1 2066 187 187 LEU C C 175.493 0.000 1 2067 187 187 LEU CA C 54.299 0.070 1 2068 187 187 LEU CB C 44.505 0.037 1 2069 187 187 LEU CG C 26.488 0.035 1 2070 187 187 LEU CD1 C 24.906 0.033 1 2071 187 187 LEU CD2 C 24.694 0.025 1 2072 187 187 LEU N N 120.244 0.042 1 2073 188 188 ASN H H 8.359 0.012 1 2074 188 188 ASN HA H 4.853 0.006 1 2075 188 188 ASN HB2 H 3.104 0.004 1 2076 188 188 ASN HB3 H 2.781 0.010 1 2077 188 188 ASN HD21 H 7.647 0.018 1 2078 188 188 ASN HD22 H 7.080 0.009 1 2079 188 188 ASN C C 175.424 0.000 1 2080 188 188 ASN CA C 51.909 0.099 1 2081 188 188 ASN CB C 37.184 0.126 1 2082 188 188 ASN CG C 177.304 0.000 1 2083 188 188 ASN N N 123.230 0.063 1 2084 188 188 ASN ND2 N 111.285 0.042 1 2085 189 189 TYR H H 8.661 0.010 1 2086 189 189 TYR HA H 3.333 0.029 1 2087 189 189 TYR HB2 H 1.791 0.033 1 2088 189 189 TYR HB3 H 1.936 0.011 1 2089 189 189 TYR HD1 H 6.832 0.049 3 2090 189 189 TYR HD2 H 6.832 0.049 3 2091 189 189 TYR HE1 H 6.701 0.039 3 2092 189 189 TYR HE2 H 6.701 0.039 3 2093 189 189 TYR C C 177.445 0.000 1 2094 189 189 TYR CA C 62.829 0.106 1 2095 189 189 TYR CB C 38.190 0.088 1 2096 189 189 TYR CD1 C 131.875 0.071 3 2097 189 189 TYR CD2 C 131.875 0.071 3 2098 189 189 TYR CE1 C 118.953 0.084 3 2099 189 189 TYR CE2 C 118.953 0.084 3 2100 189 189 TYR N N 125.344 0.048 1 2101 190 190 ASP H H 8.086 0.007 1 2102 190 190 ASP HA H 4.254 0.009 1 2103 190 190 ASP HB2 H 2.850 0.008 1 2104 190 190 ASP HB3 H 2.557 0.010 1 2105 190 190 ASP C C 178.818 0.000 1 2106 190 190 ASP CA C 58.159 0.095 1 2107 190 190 ASP CB C 40.492 0.000 1 2108 190 190 ASP N N 116.129 0.070 1 2109 191 191 ALA H H 7.058 0.004 1 2110 191 191 ALA HA H 3.983 0.018 1 2111 191 191 ALA HB H 1.240 0.004 1 2112 191 191 ALA C C 180.420 0.000 1 2113 191 191 ALA CA C 54.616 0.035 1 2114 191 191 ALA CB C 18.545 0.072 1 2115 191 191 ALA N N 119.364 0.055 1 2116 192 192 VAL H H 7.143 0.007 1 2117 192 192 VAL HA H 3.562 0.014 1 2118 192 192 VAL HB H 1.551 0.038 1 2119 192 192 VAL HG1 H 0.786 0.005 1 2120 192 192 VAL HG2 H 0.518 0.016 1 2121 192 192 VAL C C 177.869 0.000 1 2122 192 192 VAL CA C 66.054 0.089 1 2123 192 192 VAL CB C 31.993 0.006 1 2124 192 192 VAL CG1 C 22.578 0.018 1 2125 192 192 VAL CG2 C 21.812 0.049 1 2126 192 192 VAL N N 116.703 0.081 1 2127 193 193 ILE H H 8.335 0.005 1 2128 193 193 ILE HA H 3.381 0.011 1 2129 193 193 ILE HB H 2.084 0.032 1 2130 193 193 ILE HG12 H 1.477 0.011 1 2131 193 193 ILE HG13 H 1.082 0.036 1 2132 193 193 ILE HG2 H 0.801 0.009 1 2133 193 193 ILE HD1 H 0.646 0.011 1 2134 193 193 ILE C C 178.516 0.000 1 2135 193 193 ILE CA C 64.723 0.127 1 2136 193 193 ILE CB C 35.725 0.000 1 2137 193 193 ILE CG1 C 30.208 0.028 1 2138 193 193 ILE CG2 C 14.999 0.021 1 2139 193 193 ILE CD1 C 11.978 0.025 1 2140 193 193 ILE N N 119.996 0.054 1 2141 194 194 LEU H H 7.640 0.008 1 2142 194 194 LEU HA H 4.022 0.030 1 2143 194 194 LEU HB2 H 1.655 0.013 1 2144 194 194 LEU HB3 H 1.713 0.000 1 2145 194 194 LEU HG H 0.969 0.014 1 2146 194 194 LEU HD1 H 0.783 0.013 1 2147 194 194 LEU HD2 H 0.471 0.016 1 2148 194 194 LEU C C 178.471 0.000 1 2149 194 194 LEU CA C 58.444 0.142 1 2150 194 194 LEU CB C 41.399 0.058 1 2151 194 194 LEU CD1 C 23.105 0.030 1 2152 194 194 LEU CD2 C 23.922 0.013 1 2153 194 194 LEU N N 119.592 0.097 1 2154 195 195 GLU H H 7.454 0.007 1 2155 195 195 GLU HA H 3.811 0.010 1 2156 195 195 GLU HB2 H 1.724 0.022 1 2157 195 195 GLU HB3 H 1.759 0.029 1 2158 195 195 GLU HG2 H 2.194 0.010 1 2159 195 195 GLU HG3 H 2.052 0.012 1 2160 195 195 GLU C C 180.357 0.000 1 2161 195 195 GLU CA C 59.242 0.001 1 2162 195 195 GLU CB C 28.740 0.090 1 2163 195 195 GLU N N 118.805 0.083 1 2164 196 196 VAL H H 8.457 0.003 1 2165 196 196 VAL HA H 3.383 0.013 1 2166 196 196 VAL HB H 2.166 0.029 1 2167 196 196 VAL HG1 H 0.823 0.024 1 2168 196 196 VAL HG2 H 0.893 0.020 1 2169 196 196 VAL C C 177.442 0.000 1 2170 196 196 VAL CA C 67.193 0.056 1 2171 196 196 VAL CB C 30.604 0.048 1 2172 196 196 VAL CG1 C 23.499 0.023 1 2173 196 196 VAL CG2 C 23.473 0.020 1 2174 196 196 VAL N N 120.037 0.107 1 2175 197 197 HIS H H 8.828 0.006 1 2176 197 197 HIS HA H 4.369 0.022 1 2177 197 197 HIS HB2 H 3.009 0.009 1 2178 197 197 HIS HB3 H 3.484 0.004 1 2179 197 197 HIS HD2 H 6.592 0.009 1 2180 197 197 HIS HE1 H 6.748 0.018 1 2181 197 197 HIS C C 176.908 0.000 1 2182 197 197 HIS CA C 59.868 0.127 1 2183 197 197 HIS CB C 31.248 0.000 1 2184 197 197 HIS N N 122.284 0.070 1 2185 198 198 GLU H H 8.222 0.011 1 2186 198 198 GLU HA H 3.636 0.007 1 2187 198 198 GLU HB2 H 2.043 0.018 1 2188 198 198 GLU HB3 H 1.952 0.013 1 2189 198 198 GLU HG2 H 2.403 0.006 1 2190 198 198 GLU HG3 H 2.214 0.002 1 2191 198 198 GLU C C 180.112 0.000 1 2192 198 198 GLU CA C 59.651 0.061 1 2193 198 198 GLU CB C 28.636 0.030 1 2194 198 198 GLU CG C 36.363 0.018 1 2195 198 198 GLU N N 115.590 0.051 1 2196 199 199 PHE H H 7.922 0.007 1 2197 199 199 PHE HA H 3.807 0.031 1 2198 199 199 PHE HB2 H 2.816 0.050 1 2199 199 199 PHE HB3 H 2.997 0.019 1 2200 199 199 PHE HD1 H 6.998 0.020 3 2201 199 199 PHE HD2 H 6.998 0.020 3 2202 199 199 PHE HE1 H 7.214 0.000 3 2203 199 199 PHE HE2 H 7.214 0.000 3 2204 199 199 PHE C C 178.800 0.000 1 2205 199 199 PHE CA C 62.498 0.000 1 2206 199 199 PHE CB C 39.043 0.000 1 2207 199 199 PHE CD1 C 132.275 0.016 3 2208 199 199 PHE CD2 C 132.275 0.016 3 2209 199 199 PHE CE1 C 130.852 0.000 3 2210 199 199 PHE CE2 C 130.852 0.000 3 2211 199 199 PHE N N 120.651 0.063 1 2212 200 200 MET H H 8.435 0.007 1 2213 200 200 MET HA H 3.856 0.038 1 2214 200 200 MET HB2 H 1.781 0.008 1 2215 200 200 MET HB3 H 1.781 0.008 1 2216 200 200 MET HG2 H 2.280 0.003 1 2217 200 200 MET HG3 H 2.110 0.025 1 2218 200 200 MET HE H 1.483 0.002 1 2219 200 200 MET C C 178.714 0.000 1 2220 200 200 MET CA C 59.484 0.053 1 2221 200 200 MET CB C 32.331 0.153 1 2222 200 200 MET CE C 17.525 0.055 1 2223 200 200 MET N N 117.232 0.050 1 2224 201 201 LEU H H 8.441 0.006 1 2225 201 201 LEU HA H 3.822 0.005 1 2226 201 201 LEU HB2 H 1.372 0.028 1 2227 201 201 LEU HB3 H 1.157 0.019 1 2228 201 201 LEU HG H 1.099 0.010 1 2229 201 201 LEU HD1 H 0.479 0.014 1 2230 201 201 LEU HD2 H 0.659 0.018 1 2231 201 201 LEU C C 178.254 0.000 1 2232 201 201 LEU CA C 57.313 0.001 1 2233 201 201 LEU CB C 42.839 0.062 1 2234 201 201 LEU CG C 25.836 0.056 1 2235 201 201 LEU CD1 C 24.857 0.025 1 2236 201 201 LEU CD2 C 23.522 0.040 1 2237 201 201 LEU N N 118.779 0.049 1 2238 202 202 ALA H H 7.086 0.018 1 2239 202 202 ALA HA H 3.813 0.026 1 2240 202 202 ALA HB H 1.072 0.004 1 2241 202 202 ALA C C 177.621 0.000 1 2242 202 202 ALA CA C 53.940 0.168 1 2243 202 202 ALA CB C 19.158 0.068 1 2244 202 202 ALA N N 119.239 0.070 1 2245 203 203 LEU H H 7.637 0.003 1 2246 203 203 LEU HA H 3.782 0.017 1 2247 203 203 LEU HG H 0.614 0.012 1 2248 203 203 LEU HD1 H 0.185 0.017 1 2249 203 203 LEU HD2 H -0.889 0.010 1 2250 203 203 LEU CA C 50.757 0.130 1 2251 203 203 LEU CB C 40.801 0.000 1 2252 203 203 LEU CG C 25.325 0.029 1 2253 203 203 LEU CD1 C 27.320 0.012 1 2254 203 203 LEU CD2 C 21.061 0.041 1 2255 203 203 LEU N N 117.764 0.074 1 2256 204 204 PRO HA H 4.135 0.007 1 2257 204 204 PRO HB2 H 1.819 0.018 1 2258 204 204 PRO HB3 H 1.819 0.018 1 2259 204 204 PRO HG2 H 1.945 0.011 1 2260 204 204 PRO HG3 H 1.945 0.011 1 2261 204 204 PRO HD2 H 3.778 0.019 1 2262 204 204 PRO HD3 H 3.067 0.041 1 2263 204 204 PRO C C 176.911 0.000 1 2264 204 204 PRO CA C 66.610 0.061 1 2265 204 204 PRO CB C 30.593 0.009 1 2266 204 204 PRO CG C 27.361 0.000 1 2267 204 204 PRO CD C 49.821 0.000 1 2268 205 205 SER H H 7.776 0.016 1 2269 205 205 SER HA H 3.987 0.050 1 2270 205 205 SER HB2 H 3.621 0.019 1 2271 205 205 SER HB3 H 3.600 0.005 1 2272 205 205 SER C C 179.735 0.000 1 2273 205 205 SER CA C 57.883 0.003 1 2274 205 205 SER CB C 63.430 0.068 1 2275 205 205 SER N N 119.157 0.158 1 2276 206 206 THR H H 8.181 0.003 1 2277 206 206 THR HA H 4.087 0.006 1 2278 206 206 THR HB H 4.003 0.029 1 2279 206 206 THR HG2 H 0.645 0.008 1 2280 206 206 THR C C 175.280 0.000 1 2281 206 206 THR CA C 67.278 0.129 1 2282 206 206 THR CB C 68.010 0.079 1 2283 206 206 THR CG2 C 20.774 0.033 1 2284 206 206 THR N N 117.240 0.043 1 2285 207 207 TRP H H 7.255 0.011 1 2286 207 207 TRP HA H 3.927 0.001 1 2287 207 207 TRP HB2 H 3.348 0.007 1 2288 207 207 TRP HB3 H 3.345 0.008 1 2289 207 207 TRP HD1 H 6.958 0.034 1 2290 207 207 TRP HE1 H 9.730 0.002 1 2291 207 207 TRP HZ2 H 6.975 0.003 1 2292 207 207 TRP HH2 H 6.290 0.009 1 2293 207 207 TRP C C 179.196 0.000 1 2294 207 207 TRP CA C 62.524 0.000 1 2295 207 207 TRP CB C 35.515 0.000 1 2296 207 207 TRP CD1 C 127.020 0.036 1 2297 207 207 TRP CE2 C 138.314 0.000 1 2298 207 207 TRP CZ2 C 113.293 0.067 1 2299 207 207 TRP CH2 C 122.768 0.042 1 2300 207 207 TRP N N 122.971 0.076 1 2301 207 207 TRP NE1 N 128.549 0.079 1 2302 208 208 TRP H H 8.081 0.004 1 2303 208 208 TRP HA H 4.626 0.039 1 2304 208 208 TRP HB2 H 3.494 0.000 1 2305 208 208 TRP HB3 H 3.635 0.000 1 2306 208 208 TRP HD1 H 7.496 0.021 1 2307 208 208 TRP HE1 H 9.560 0.007 1 2308 208 208 TRP HZ2 H 7.508 0.023 1 2309 208 208 TRP CA C 61.340 0.000 1 2310 208 208 TRP CB C 31.834 0.000 1 2311 208 208 TRP CD1 C 130.088 0.000 1 2312 208 208 TRP CE2 C 139.128 0.000 1 2313 208 208 TRP CZ2 C 115.058 0.035 1 2314 208 208 TRP N N 118.933 0.061 1 2315 208 208 TRP NE1 N 129.996 0.066 1 2316 209 209 GLN HA H 3.950 0.017 1 2317 209 209 GLN HB2 H 2.014 0.021 1 2318 209 209 GLN HB3 H 1.962 0.012 1 2319 209 209 GLN HG2 H 2.264 0.018 1 2320 209 209 GLN HG3 H 2.288 0.009 1 2321 209 209 GLN HE21 H 6.878 0.003 1 2322 209 209 GLN HE22 H 7.705 0.004 1 2323 209 209 GLN CA C 58.078 0.000 1 2324 209 209 GLN CB C 27.840 0.022 1 2325 209 209 GLN CG C 33.647 0.005 1 2326 209 209 GLN CD C 179.355 0.000 1 2327 209 209 GLN NE2 N 110.151 0.052 1 2328 211 211 ARG HA H 3.744 0.009 1 2329 211 211 ARG HB2 H 1.721 0.007 1 2330 211 211 ARG HB3 H 1.722 0.005 1 2331 211 211 ARG HG2 H 1.456 0.008 1 2332 211 211 ARG HG3 H 1.358 0.011 1 2333 211 211 ARG HD2 H 2.931 0.003 1 2334 211 211 ARG HD3 H 3.071 0.004 1 2335 211 211 ARG CA C 67.855 0.029 1 2336 211 211 ARG CB C 29.458 0.000 1 2337 211 211 ARG CG C 27.781 0.018 1 2338 211 211 ARG CD C 43.111 0.016 1 2339 212 212 PRO HA H 4.244 0.003 1 2340 212 212 PRO HB2 H 2.274 0.002 1 2341 212 212 PRO HB3 H 1.902 0.015 1 2342 212 212 PRO HG2 H 1.948 0.008 1 2343 212 212 PRO HG3 H 1.988 0.030 1 2344 212 212 PRO HD2 H 3.619 0.015 1 2345 212 212 PRO HD3 H 3.623 0.015 1 2346 212 212 PRO C C 176.528 0.000 1 2347 212 212 PRO CA C 64.675 0.011 1 2348 212 212 PRO CB C 31.984 0.032 1 2349 212 212 PRO CG C 27.471 0.048 1 2350 212 212 PRO CD C 50.456 0.018 1 2351 213 213 SER H H 7.068 0.007 1 2352 213 213 SER HA H 4.704 0.006 1 2353 213 213 SER HB2 H 3.882 0.005 1 2354 213 213 SER HB3 H 3.616 0.008 1 2355 213 213 SER C C 174.379 0.000 1 2356 213 213 SER CA C 56.603 0.114 1 2357 213 213 SER CB C 64.756 0.152 1 2358 213 213 SER N N 107.217 0.052 1 2359 214 214 ASP H H 8.307 0.005 1 2360 214 214 ASP HA H 4.602 0.000 1 2361 214 214 ASP HB2 H 2.682 0.000 1 2362 214 214 ASP HB3 H 2.682 0.000 1 2363 214 214 ASP CA C 52.068 0.000 1 2364 214 214 ASP CB C 40.779 0.000 1 2365 214 214 ASP N N 123.051 0.093 1 2366 215 215 THR HA H 3.960 0.006 1 2367 215 215 THR HB H 3.965 0.007 1 2368 215 215 THR HG2 H 1.113 0.003 1 2369 215 215 THR CA C 62.398 0.001 1 2370 215 215 THR CB C 67.066 0.019 1 2371 215 215 THR CG2 C 22.125 0.059 1 2372 216 216 PRO HA H 4.345 0.033 1 2373 216 216 PRO HB2 H 2.194 0.041 1 2374 216 216 PRO HB3 H 1.789 0.031 1 2375 216 216 PRO HG2 H 1.757 0.005 1 2376 216 216 PRO HG3 H 1.593 0.026 1 2377 216 216 PRO HD2 H 3.441 0.004 1 2378 216 216 PRO HD3 H 3.304 0.044 1 2379 216 216 PRO CA C 62.253 0.025 1 2380 216 216 PRO CB C 34.578 0.024 1 2381 216 216 PRO CG C 24.738 0.019 1 2382 216 216 PRO CD C 50.211 0.020 1 2383 217 217 MET HA H 3.881 0.026 1 2384 217 217 MET HB2 H 2.162 0.013 1 2385 217 217 MET HB3 H 1.951 0.014 1 2386 217 217 MET HG2 H 2.299 0.006 1 2387 217 217 MET HG3 H 2.162 0.001 1 2388 217 217 MET C C 177.332 0.000 1 2389 217 217 MET CA C 60.575 0.145 1 2390 217 217 MET CB C 28.697 0.000 1 2391 217 217 MET CG C 35.915 0.034 1 2392 218 218 ARG H H 8.359 0.006 1 2393 218 218 ARG HA H 4.077 0.021 1 2394 218 218 ARG HB2 H 1.943 0.006 1 2395 218 218 ARG HB3 H 1.774 0.000 1 2396 218 218 ARG HG2 H 1.373 0.015 1 2397 218 218 ARG HG3 H 1.373 0.015 1 2398 218 218 ARG HD2 H 2.890 0.004 1 2399 218 218 ARG HD3 H 2.890 0.004 1 2400 218 218 ARG CA C 60.863 0.000 1 2401 218 218 ARG CD C 41.838 0.042 1 2402 218 218 ARG N N 118.093 0.059 1 2403 219 219 THR HA H 4.271 0.007 1 2404 219 219 THR HB H 3.602 0.002 1 2405 219 219 THR HG2 H 1.114 0.004 1 2406 219 219 THR CA C 67.363 0.000 1 2407 219 219 THR CB C 68.253 0.022 1 2408 219 219 THR CG2 C 21.963 0.063 1 2409 220 220 ILE HA H 3.339 0.018 1 2410 220 220 ILE HB H 1.623 0.001 1 2411 220 220 ILE HG2 H 0.396 0.003 1 2412 220 220 ILE HD1 H 0.501 0.020 1 2413 220 220 ILE CA C 66.041 0.017 1 2414 220 220 ILE CB C 37.594 0.000 1 2415 220 220 ILE CG2 C 17.057 0.025 1 2416 220 220 ILE CD1 C 13.851 0.064 1 2417 221 221 LYS HA H 4.149 0.000 1 2418 221 221 LYS HB2 H 1.713 0.000 1 2419 221 221 LYS HB3 H 1.713 0.000 1 2420 221 221 LYS C C 175.584 0.000 1 2421 222 222 THR H H 7.914 0.003 1 2422 222 222 THR HA H 3.962 0.039 1 2423 222 222 THR HB H 4.267 0.027 1 2424 222 222 THR HG2 H 1.148 0.049 1 2425 222 222 THR C C 177.412 0.000 1 2426 222 222 THR CA C 63.196 0.049 1 2427 222 222 THR CB C 68.386 0.037 1 2428 222 222 THR CG2 C 22.023 0.016 1 2429 222 222 THR N N 117.140 0.068 1 2430 223 223 ILE H H 7.836 0.007 1 2431 223 223 ILE HA H 3.336 0.015 1 2432 223 223 ILE HB H 1.984 0.023 1 2433 223 223 ILE HG12 H -0.247 0.005 1 2434 223 223 ILE HG13 H 0.832 0.035 1 2435 223 223 ILE HG2 H 0.459 0.013 1 2436 223 223 ILE HD1 H 0.023 0.004 1 2437 223 223 ILE C C 177.632 0.000 1 2438 223 223 ILE CA C 62.264 0.048 1 2439 223 223 ILE CB C 37.911 0.048 1 2440 223 223 ILE CG1 C 26.823 0.019 1 2441 223 223 ILE CG2 C 19.047 0.022 1 2442 223 223 ILE CD1 C 10.542 0.019 1 2443 223 223 ILE N N 124.486 0.066 1 2444 224 224 LEU H H 7.387 0.023 1 2445 224 224 LEU HA H 3.966 0.043 1 2446 224 224 LEU HB2 H 1.762 0.029 1 2447 224 224 LEU HB3 H 1.766 0.038 1 2448 224 224 LEU HG H 0.653 0.016 1 2449 224 224 LEU HD1 H 0.454 0.036 1 2450 224 224 LEU HD2 H 0.810 0.044 1 2451 224 224 LEU C C 178.340 0.000 1 2452 224 224 LEU CA C 58.264 0.016 1 2453 224 224 LEU CB C 42.315 0.073 1 2454 224 224 LEU CG C 25.653 0.046 1 2455 224 224 LEU CD1 C 21.601 0.000 1 2456 224 224 LEU CD2 C 21.206 0.014 1 2457 224 224 LEU N N 117.508 0.095 1 2458 225 225 HIS H H 8.736 0.006 1 2459 225 225 HIS HA H 4.015 0.018 1 2460 225 225 HIS HB2 H 3.378 0.019 1 2461 225 225 HIS HB3 H 3.227 0.010 1 2462 225 225 HIS HD2 H 6.825 0.019 1 2463 225 225 HIS C C 177.642 0.000 1 2464 225 225 HIS CA C 60.210 0.061 1 2465 225 225 HIS CB C 30.949 0.059 1 2466 225 225 HIS N N 118.302 0.039 1 2467 226 226 ASN H H 8.148 0.005 1 2468 226 226 ASN HA H 4.281 0.008 1 2469 226 226 ASN HB2 H 2.792 0.020 1 2470 226 226 ASN HB3 H 2.402 0.005 1 2471 226 226 ASN HD21 H 7.525 0.005 1 2472 226 226 ASN HD22 H 6.891 0.002 1 2473 226 226 ASN C C 177.454 0.000 1 2474 226 226 ASN CA C 56.958 0.115 1 2475 226 226 ASN CB C 39.353 0.066 1 2476 226 226 ASN CG C 179.998 0.000 1 2477 226 226 ASN N N 116.340 0.063 1 2478 226 226 ASN ND2 N 112.925 0.109 1 2479 227 227 MET H H 8.306 0.004 1 2480 227 227 MET HA H 4.005 0.026 1 2481 227 227 MET HB2 H 2.087 0.027 1 2482 227 227 MET HB3 H 2.006 0.049 1 2483 227 227 MET HG2 H 2.462 0.028 1 2484 227 227 MET HG3 H 2.287 0.034 1 2485 227 227 MET HE H 1.670 0.024 1 2486 227 227 MET C C 177.624 0.000 1 2487 227 227 MET CA C 60.500 0.035 1 2488 227 227 MET CB C 29.840 0.047 1 2489 227 227 MET CG C 33.304 0.025 1 2490 227 227 MET CE C 18.004 0.017 1 2491 227 227 MET N N 118.821 0.065 1 2492 228 228 ALA H H 8.280 0.008 1 2493 228 228 ALA HA H 3.770 0.022 1 2494 228 228 ALA HB H 1.236 0.012 1 2495 228 228 ALA C C 178.623 0.000 1 2496 228 228 ALA CA C 55.088 0.039 1 2497 228 228 ALA CB C 17.802 0.099 1 2498 228 228 ALA N N 120.665 0.066 1 2499 229 229 LYS H H 7.984 0.011 1 2500 229 229 LYS HA H 3.455 0.039 1 2501 229 229 LYS HB2 H 1.768 0.018 1 2502 229 229 LYS HB3 H 1.655 0.023 1 2503 229 229 LYS HG2 H 1.232 0.011 1 2504 229 229 LYS HG3 H 1.195 0.018 1 2505 229 229 LYS HD2 H 1.473 0.033 1 2506 229 229 LYS HD3 H 1.480 0.035 1 2507 229 229 LYS HE2 H 2.738 0.010 1 2508 229 229 LYS HE3 H 2.738 0.010 1 2509 229 229 LYS C C 178.277 0.000 1 2510 229 229 LYS CA C 58.956 0.068 1 2511 229 229 LYS CB C 32.303 0.110 1 2512 229 229 LYS CG C 24.862 0.020 1 2513 229 229 LYS CD C 29.222 0.024 1 2514 229 229 LYS CE C 41.702 0.014 1 2515 229 229 LYS N N 118.476 0.040 1 2516 230 230 VAL H H 7.353 0.007 1 2517 230 230 VAL HA H 3.721 0.015 1 2518 230 230 VAL HB H 2.075 0.012 1 2519 230 230 VAL HG1 H 0.975 0.007 1 2520 230 230 VAL HG2 H 0.867 0.018 1 2521 230 230 VAL C C 177.965 0.000 1 2522 230 230 VAL CA C 65.396 0.000 1 2523 230 230 VAL CB C 32.409 0.046 1 2524 230 230 VAL CG1 C 22.290 0.011 1 2525 230 230 VAL CG2 C 21.465 0.020 1 2526 230 230 VAL N N 115.601 0.090 1 2527 231 231 LYS H H 7.803 0.007 1 2528 231 231 LYS HA H 4.102 0.006 1 2529 231 231 LYS HB2 H 1.378 0.007 1 2530 231 231 LYS HB3 H 1.657 0.021 1 2531 231 231 LYS HG2 H 0.935 0.009 1 2532 231 231 LYS HG3 H 0.931 0.018 1 2533 231 231 LYS HD2 H 1.183 0.016 1 2534 231 231 LYS HD3 H 1.062 0.010 1 2535 231 231 LYS HE2 H 1.730 0.026 1 2536 231 231 LYS HE3 H 1.913 0.014 1 2537 231 231 LYS C C 177.805 0.000 1 2538 231 231 LYS CA C 56.387 0.051 1 2539 231 231 LYS CB C 34.388 0.024 1 2540 231 231 LYS CG C 25.430 0.007 1 2541 231 231 LYS CD C 28.482 0.047 1 2542 231 231 LYS CE C 40.885 0.031 1 2543 231 231 LYS N N 116.403 0.077 1 2544 232 232 GLY H H 8.389 0.006 1 2545 232 232 GLY HA2 H 3.523 0.014 1 2546 232 232 GLY HA3 H 3.876 0.006 1 2547 232 232 GLY C C 177.343 0.000 1 2548 232 232 GLY CA C 45.412 0.104 1 2549 232 232 GLY N N 110.485 0.063 1 2550 233 233 ASN H H 8.810 0.010 1 2551 233 233 ASN HA H 4.246 0.007 1 2552 233 233 ASN HB2 H 2.681 0.003 1 2553 233 233 ASN HB3 H 2.681 0.003 1 2554 233 233 ASN HD21 H 7.401 0.003 1 2555 233 233 ASN HD22 H 6.764 0.003 1 2556 233 233 ASN C C 177.257 0.000 1 2557 233 233 ASN CA C 55.769 0.056 1 2558 233 233 ASN CB C 37.900 0.000 1 2559 233 233 ASN N N 119.628 0.058 1 2560 233 233 ASN ND2 N 111.252 0.043 1 2561 234 234 ALA H H 7.775 0.008 1 2562 234 234 ALA HA H 4.105 0.012 1 2563 234 234 ALA HB H 1.371 0.004 1 2564 234 234 ALA C C 179.236 0.000 1 2565 234 234 ALA CA C 54.363 0.076 1 2566 234 234 ALA CB C 17.789 0.093 1 2567 234 234 ALA N N 121.827 0.102 1 2568 235 235 ILE H H 8.304 0.006 1 2569 235 235 ILE HA H 3.871 0.013 1 2570 235 235 ILE HB H 1.798 0.029 1 2571 235 235 ILE HG12 H 1.387 0.025 1 2572 235 235 ILE HG13 H 1.314 0.023 1 2573 235 235 ILE HG2 H 0.829 0.023 1 2574 235 235 ILE HD1 H 0.640 0.004 1 2575 235 235 ILE C C 177.581 0.000 1 2576 235 235 ILE CA C 62.653 0.050 1 2577 235 235 ILE CB C 38.785 0.032 1 2578 235 235 ILE CG1 C 30.215 0.000 1 2579 235 235 ILE CG2 C 19.359 0.017 1 2580 235 235 ILE CD1 C 13.910 0.015 1 2581 235 235 ILE N N 119.055 0.045 1 2582 236 236 LEU H H 7.336 0.018 1 2583 236 236 LEU HA H 3.757 0.015 1 2584 236 236 LEU HB2 H 1.673 0.004 1 2585 236 236 LEU HB3 H 1.400 0.006 1 2586 236 236 LEU HG H 1.560 0.031 1 2587 236 236 LEU HD1 H 0.797 0.012 1 2588 236 236 LEU HD2 H 0.582 0.013 1 2589 236 236 LEU C C 179.007 0.000 1 2590 236 236 LEU CA C 56.824 0.150 1 2591 236 236 LEU CB C 40.582 0.055 1 2592 236 236 LEU CG C 27.298 0.000 1 2593 236 236 LEU CD1 C 25.075 0.082 1 2594 236 236 LEU CD2 C 22.428 0.013 1 2595 236 236 LEU N N 118.629 0.056 1 2596 237 237 GLN H H 7.397 0.013 1 2597 237 237 GLN HA H 4.003 0.019 1 2598 237 237 GLN HB2 H 1.715 0.007 1 2599 237 237 GLN HB3 H 1.718 0.000 1 2600 237 237 GLN HG2 H 2.116 0.003 1 2601 237 237 GLN HG3 H 1.807 0.013 1 2602 237 237 GLN HE21 H 7.248 0.003 1 2603 237 237 GLN HE22 H 6.688 0.003 1 2604 237 237 GLN C C 175.682 0.000 1 2605 237 237 GLN CA C 56.980 0.127 1 2606 237 237 GLN CB C 28.044 0.068 1 2607 237 237 GLN CG C 33.350 0.033 1 2608 237 237 GLN N N 116.824 0.036 1 2609 237 237 GLN NE2 N 111.121 0.055 1 2610 238 238 HIS H H 7.344 0.009 1 2611 238 238 HIS HA H 4.703 0.021 1 2612 238 238 HIS HB2 H 3.232 0.019 1 2613 238 238 HIS HB3 H 2.770 0.008 1 2614 238 238 HIS HD2 H 6.622 0.000 1 2615 238 238 HIS C C 174.060 0.000 1 2616 238 238 HIS CA C 55.998 0.057 1 2617 238 238 HIS CB C 28.518 0.036 1 2618 238 238 HIS N N 116.528 0.057 1 2619 239 239 LEU H H 7.152 0.006 1 2620 239 239 LEU HA H 4.257 0.012 1 2621 239 239 LEU HB2 H 1.481 0.013 1 2622 239 239 LEU HB3 H 1.662 0.019 1 2623 239 239 LEU HG H 1.107 0.004 1 2624 239 239 LEU HD1 H 0.471 0.009 1 2625 239 239 LEU HD2 H 0.668 0.027 1 2626 239 239 LEU C C 177.428 0.000 1 2627 239 239 LEU CA C 54.438 0.061 1 2628 239 239 LEU CB C 41.757 0.079 1 2629 239 239 LEU CG C 26.107 0.000 1 2630 239 239 LEU CD1 C 24.036 0.021 1 2631 239 239 LEU CD2 C 23.786 0.022 1 2632 239 239 LEU N N 117.076 0.048 1 2633 240 240 ASN H H 7.714 0.008 1 2634 240 240 ASN HA H 4.239 0.025 1 2635 240 240 ASN HB2 H 2.755 0.005 1 2636 240 240 ASN HB3 H 2.641 0.006 1 2637 240 240 ASN HD21 H 6.858 0.005 1 2638 240 240 ASN HD22 H 7.490 0.004 1 2639 240 240 ASN C C 176.239 0.000 1 2640 240 240 ASN CA C 56.333 0.100 1 2641 240 240 ASN CB C 38.380 0.094 1 2642 240 240 ASN CG C 180.455 0.000 1 2643 240 240 ASN N N 117.300 0.054 1 2644 240 240 ASN ND2 N 113.171 0.056 1 2645 241 241 GLN H H 8.278 0.003 1 2646 241 241 GLN HA H 4.218 0.019 1 2647 241 241 GLN HB2 H 2.187 0.005 1 2648 241 241 GLN HB3 H 1.863 0.010 1 2649 241 241 GLN HG2 H 2.191 0.008 1 2650 241 241 GLN HG3 H 2.190 0.007 1 2651 241 241 GLN HE21 H 7.400 0.003 1 2652 241 241 GLN HE22 H 6.753 0.004 1 2653 241 241 GLN C C 174.850 0.000 1 2654 241 241 GLN CA C 55.671 0.130 1 2655 241 241 GLN CB C 28.671 0.134 1 2656 241 241 GLN CG C 34.087 0.046 1 2657 241 241 GLN CD C 179.923 0.000 1 2658 241 241 GLN N N 115.297 0.082 1 2659 241 241 GLN NE2 N 111.571 0.083 1 2660 242 242 ILE H H 7.437 0.005 1 2661 242 242 ILE HA H 4.144 0.004 1 2662 242 242 ILE HB H 1.712 0.034 1 2663 242 242 ILE HG12 H 1.112 0.006 1 2664 242 242 ILE HG13 H 0.813 0.029 1 2665 242 242 ILE HG2 H 0.470 0.027 1 2666 242 242 ILE HD1 H 0.442 0.006 1 2667 242 242 ILE CA C 57.000 0.001 1 2668 242 242 ILE CB C 37.467 0.106 1 2669 242 242 ILE CG1 C 26.968 0.037 1 2670 242 242 ILE CG2 C 17.203 0.018 1 2671 242 242 ILE CD1 C 11.949 0.027 1 2672 242 242 ILE N N 120.289 0.100 1 2673 243 243 PRO HG2 H 1.947 0.004 1 2674 243 243 PRO HG3 H 1.949 0.000 1 2675 243 243 PRO HD2 H 3.122 0.003 1 2676 243 243 PRO HD3 H 3.778 0.006 1 2677 243 243 PRO CG C 27.696 0.000 1 2678 243 243 PRO CD C 50.917 0.000 1 2679 244 244 THR HA H 4.387 0.002 1 2680 244 244 THR HB H 4.194 0.032 1 2681 244 244 THR HG2 H 1.173 0.020 1 2682 244 244 THR C C 174.654 0.000 1 2683 244 244 THR CA C 64.136 0.024 1 2684 244 244 THR CB C 68.248 0.038 1 2685 244 244 THR CG2 C 19.821 0.035 1 2686 245 245 HIS H H 7.900 0.011 1 2687 245 245 HIS HA H 4.047 0.004 1 2688 245 245 HIS HB2 H 3.229 0.008 1 2689 245 245 HIS HB3 H 2.995 0.000 1 2690 245 245 HIS HD2 H 6.466 0.032 1 2691 245 245 HIS HE1 H 6.828 0.012 1 2692 245 245 HIS CA C 61.049 0.119 1 2693 245 245 HIS N N 124.807 0.075 1 2694 246 246 SER HA H 4.209 0.003 1 2695 246 246 SER HB2 H 3.935 0.002 1 2696 246 246 SER HB3 H 3.732 0.003 1 2697 246 246 SER CA C 59.601 0.019 1 2698 246 246 SER CB C 63.606 0.039 1 2699 248 248 LEU HA H 3.646 0.020 1 2700 248 248 LEU HB2 H 1.673 0.027 1 2701 248 248 LEU HB3 H 1.546 0.012 1 2702 248 248 LEU HD1 H 0.487 0.035 1 2703 248 248 LEU HD2 H 0.680 0.045 1 2704 248 248 LEU C C 177.793 0.000 1 2705 248 248 LEU CA C 59.579 0.024 1 2706 248 248 LEU CB C 41.332 0.111 1 2707 248 248 LEU CD1 C 24.841 0.000 1 2708 248 248 LEU CD2 C 23.515 0.000 1 2709 249 249 HIS H H 7.569 0.006 1 2710 249 249 HIS HA H 3.685 0.028 1 2711 249 249 HIS HB2 H 3.113 0.017 1 2712 249 249 HIS HB3 H 2.702 0.010 1 2713 249 249 HIS HD2 H 6.749 0.046 1 2714 249 249 HIS C C 177.009 0.000 1 2715 249 249 HIS CA C 61.059 0.120 1 2716 249 249 HIS CB C 31.463 0.048 1 2717 249 249 HIS N N 118.315 0.093 1 2718 250 250 THR H H 7.915 0.005 1 2719 250 250 THR HA H 3.830 0.006 1 2720 250 250 THR HB H 4.165 0.002 1 2721 250 250 THR HG2 H 1.251 0.002 1 2722 250 250 THR C C 176.516 0.000 1 2723 250 250 THR CA C 66.104 0.042 1 2724 250 250 THR CB C 69.018 0.055 1 2725 250 250 THR CG2 C 21.877 0.040 1 2726 250 250 THR N N 110.528 0.079 1 2727 251 251 TYR H H 8.293 0.011 1 2728 251 251 TYR HA H 4.042 0.023 1 2729 251 251 TYR HB2 H 3.223 0.026 1 2730 251 251 TYR HB3 H 2.861 0.027 1 2731 251 251 TYR HD1 H 6.919 0.042 3 2732 251 251 TYR HD2 H 6.919 0.042 3 2733 251 251 TYR HE1 H 6.698 0.042 3 2734 251 251 TYR HE2 H 6.698 0.042 3 2735 251 251 TYR C C 177.028 0.000 1 2736 251 251 TYR CA C 62.231 0.000 1 2737 251 251 TYR CB C 38.920 0.056 1 2738 251 251 TYR CD1 C 132.717 0.124 3 2739 251 251 TYR CD2 C 132.717 0.124 3 2740 251 251 TYR CE1 C 118.359 0.021 3 2741 251 251 TYR CE2 C 118.359 0.021 3 2742 251 251 TYR N N 122.121 0.071 1 2743 252 252 LEU H H 8.138 0.009 1 2744 252 252 LEU HA H 3.744 0.028 1 2745 252 252 LEU HB2 H 1.730 0.027 1 2746 252 252 LEU HB3 H 1.116 0.014 1 2747 252 252 LEU HG H 0.961 0.003 1 2748 252 252 LEU HD1 H 0.741 0.020 1 2749 252 252 LEU HD2 H 0.474 0.028 1 2750 252 252 LEU C C 178.264 0.000 1 2751 252 252 LEU CA C 57.593 0.018 1 2752 252 252 LEU CB C 42.168 0.042 1 2753 252 252 LEU CG C 28.063 0.024 1 2754 252 252 LEU CD1 C 24.879 0.054 1 2755 252 252 LEU CD2 C 21.601 0.000 1 2756 252 252 LEU N N 117.199 0.025 1 2757 253 253 ILE H H 7.935 0.005 1 2758 253 253 ILE HA H 3.539 0.013 1 2759 253 253 ILE HB H 1.862 0.008 1 2760 253 253 ILE HG12 H 1.342 0.019 1 2761 253 253 ILE HG13 H 1.312 0.015 1 2762 253 253 ILE HG2 H 0.762 0.009 1 2763 253 253 ILE HD1 H 0.582 0.008 1 2764 253 253 ILE C C 180.243 0.000 1 2765 253 253 ILE CA C 63.574 0.135 1 2766 253 253 ILE CB C 36.377 0.100 1 2767 253 253 ILE CG1 C 28.372 0.026 1 2768 253 253 ILE CG2 C 17.604 0.038 1 2769 253 253 ILE CD1 C 11.177 0.013 1 2770 253 253 ILE N N 116.391 0.056 1 2771 254 254 ARG H H 7.267 0.009 1 2772 254 254 ARG HA H 3.860 0.017 1 2773 254 254 ARG HB2 H 1.777 0.014 1 2774 254 254 ARG HB3 H 1.759 0.013 1 2775 254 254 ARG HG2 H 1.572 0.010 1 2776 254 254 ARG HG3 H 1.365 0.004 1 2777 254 254 ARG HD2 H 3.024 0.001 1 2778 254 254 ARG HD3 H 3.025 0.000 1 2779 254 254 ARG C C 180.268 0.000 1 2780 254 254 ARG CA C 59.408 0.046 1 2781 254 254 ARG CB C 30.904 2.501 1 2782 254 254 ARG CG C 27.477 0.000 1 2783 254 254 ARG CD C 43.792 0.000 1 2784 254 254 ARG N N 118.671 0.031 1 2785 255 255 ILE H H 7.801 0.016 1 2786 255 255 ILE HA H 3.684 0.008 1 2787 255 255 ILE HB H 1.630 0.020 1 2788 255 255 ILE HG12 H 0.942 0.039 1 2789 255 255 ILE HG13 H 0.987 0.020 1 2790 255 255 ILE HG2 H 0.454 0.007 1 2791 255 255 ILE HD1 H 0.431 0.006 1 2792 255 255 ILE C C 178.742 0.000 1 2793 255 255 ILE CA C 63.577 0.071 1 2794 255 255 ILE CB C 37.529 0.033 1 2795 255 255 ILE CG1 C 27.264 0.017 1 2796 255 255 ILE CG2 C 18.253 0.024 1 2797 255 255 ILE CD1 C 13.817 0.033 1 2798 255 255 ILE N N 116.645 0.041 1 2799 256 256 LEU H H 7.851 0.003 1 2800 256 256 LEU HA H 3.823 0.010 1 2801 256 256 LEU HB2 H 1.365 0.013 1 2802 256 256 LEU HB3 H 1.591 0.021 1 2803 256 256 LEU HG H 1.087 0.014 1 2804 256 256 LEU HD1 H 0.638 0.021 1 2805 256 256 LEU HD2 H 0.471 0.012 1 2806 256 256 LEU C C 178.200 0.000 1 2807 256 256 LEU CA C 57.205 0.069 1 2808 256 256 LEU CB C 41.831 0.056 1 2809 256 256 LEU CG C 26.066 0.000 1 2810 256 256 LEU CD1 C 25.393 0.029 1 2811 256 256 LEU CD2 C 24.066 0.000 1 2812 256 256 LEU N N 120.322 0.082 1 2813 257 257 LYS H H 7.355 0.008 1 2814 257 257 LYS HA H 3.998 0.008 1 2815 257 257 LYS HB2 H 1.729 0.004 1 2816 257 257 LYS HB3 H 1.730 0.003 1 2817 257 257 LYS HG2 H 1.345 0.014 1 2818 257 257 LYS HG3 H 1.341 0.005 1 2819 257 257 LYS HD2 H 1.557 0.007 1 2820 257 257 LYS HD3 H 1.557 0.008 1 2821 257 257 LYS HE2 H 2.835 0.015 1 2822 257 257 LYS HE3 H 2.835 0.015 1 2823 257 257 LYS C C 178.800 0.000 1 2824 257 257 LYS CA C 58.061 0.089 1 2825 257 257 LYS CB C 32.265 0.074 1 2826 257 257 LYS CG C 25.012 0.027 1 2827 257 257 LYS CD C 28.976 0.047 1 2828 257 257 LYS CE C 41.831 0.033 1 2829 257 257 LYS N N 117.860 0.082 1 2830 258 258 ASN H H 7.496 0.006 1 2831 258 258 ASN HA H 4.501 0.011 1 2832 258 258 ASN HB2 H 2.586 0.004 1 2833 258 258 ASN HB3 H 2.379 0.012 1 2834 258 258 ASN HD21 H 6.769 0.002 1 2835 258 258 ASN HD22 H 7.278 0.001 1 2836 258 258 ASN C C 177.241 0.000 1 2837 258 258 ASN CA C 53.748 0.126 1 2838 258 258 ASN CB C 38.629 0.092 1 2839 258 258 ASN N N 115.199 0.052 1 2840 258 258 ASN ND2 N 111.880 0.058 1 2841 259 259 PHE H H 7.555 0.014 1 2842 259 259 PHE HA H 4.651 0.007 1 2843 259 259 PHE HB2 H 3.251 0.013 1 2844 259 259 PHE HB3 H 2.863 0.020 1 2845 259 259 PHE HD1 H 7.112 0.007 3 2846 259 259 PHE HD2 H 7.112 0.007 3 2847 259 259 PHE HE1 H 7.049 0.037 3 2848 259 259 PHE HE2 H 7.049 0.037 3 2849 259 259 PHE HZ H 6.836 0.020 1 2850 259 259 PHE C C 175.121 0.000 1 2851 259 259 PHE CA C 57.023 0.048 1 2852 259 259 PHE CB C 39.097 0.048 1 2853 259 259 PHE CD1 C 131.311 0.000 3 2854 259 259 PHE CD2 C 131.311 0.000 3 2855 259 259 PHE CE1 C 130.852 0.000 3 2856 259 259 PHE CE2 C 130.852 0.000 3 2857 259 259 PHE CZ C 128.799 0.000 1 2858 259 259 PHE N N 119.017 0.085 1 2859 260 260 GLN H H 7.489 0.003 1 2860 260 260 GLN HA H 4.051 0.005 1 2861 260 260 GLN HB2 H 1.833 0.003 1 2862 260 260 GLN HB3 H 2.028 0.002 1 2863 260 260 GLN HG2 H 2.220 0.002 1 2864 260 260 GLN HG3 H 2.219 0.001 1 2865 260 260 GLN HE21 H 7.348 0.003 1 2866 260 260 GLN HE22 H 6.735 0.001 1 2867 260 260 GLN CA C 57.319 0.068 1 2868 260 260 GLN CB C 30.383 0.075 1 2869 260 260 GLN CG C 34.275 0.013 1 2870 260 260 GLN CD C 180.150 0.000 1 2871 260 260 GLN N N 124.829 0.067 1 2872 260 260 GLN NE2 N 111.874 0.062 1 stop_ save_