data_36221 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Sigma-anti-sigma factor complex RsgI1N-SigI1C from Clostridium thermocellum ; _BMRB_accession_number 36221 _BMRB_flat_file_name bmr36221.str _Entry_type original _Submission_date 2018-12-04 _Accession_date 2019-05-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wei Z. . . 2 Feng Y. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1076 "13C chemical shifts" 781 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-19 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 36220 'Solution structure of the N-terminal domain of the anti-sigma factor RsgI1 from Clostridium thermocellum' stop_ _Original_release_date 2019-05-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma/anti-sigma complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31106374 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wei Z. . . 2 Chen C. . . 3 Liu Y. J. . 4 Dong S. . . 5 Li J. . . 6 Qi K. . . 7 Liu S. . . 8 Ding X. . . 9 Ora L. O. . 10 Munoz-Gutierrez I. . . 11 Li Y. . . 12 Yao H. . . 13 Lamed R. . . 14 Bayer E. A. . 15 Cui Q. . . 16 Feng Y. . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic Acids Research' _Journal_volume 47 _Journal_issue 11 _Journal_ASTM NARHAD _Journal_ISSN 1362-4962 _Journal_CSD 0389 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5988 _Page_last 5997 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 6170.172 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 53 _Mol_residue_sequence ; SMNRLGIIYEIQGMKAVVLT SEGEFLIIRRRKDMKVGQQV SFENEDIYNVRGK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . SER 2 1 MET 3 2 ASN 4 3 ARG 5 4 LEU 6 5 GLY 7 6 ILE 8 7 ILE 9 8 TYR 10 9 GLU 11 10 ILE 12 11 GLN 13 12 GLY 14 13 MET 15 14 LYS 16 15 ALA 17 16 VAL 18 17 VAL 19 18 LEU 20 19 THR 21 20 SER 22 21 GLU 23 22 GLY 24 23 GLU 25 24 PHE 26 25 LEU 27 26 ILE 28 27 ILE 29 28 ARG 30 29 ARG 31 30 ARG 32 31 LYS 33 32 ASP 34 33 MET 35 34 LYS 36 35 VAL 37 36 GLY 38 37 GLN 39 38 GLN 40 39 VAL 41 40 SER 42 41 PHE 43 42 GLU 44 43 ASN 45 44 GLU 46 45 ASP 47 46 ILE 48 47 TYR 49 48 ASN 50 49 VAL 51 50 ARG 52 51 GLY 53 52 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 14226.666 _Mol_thiol_state 'all free' _Details . _Residue_count 118 _Mol_residue_sequence ; MEDIEAREDIEELKKKLQEF GITFLDLVLNVPKHRDSRQL CIRLAKMLAEDEQMYNALMK NKNIPRNELKKKAKVHGRTI GNNRKYIIALCLIFRSNLNL SKRYLEYYTMLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 141 GLU 3 142 ASP 4 143 ILE 5 144 GLU 6 145 ALA 7 146 ARG 8 147 GLU 9 148 ASP 10 149 ILE 11 150 GLU 12 151 GLU 13 152 LEU 14 153 LYS 15 154 LYS 16 155 LYS 17 156 LEU 18 157 GLN 19 158 GLU 20 159 PHE 21 160 GLY 22 161 ILE 23 162 THR 24 163 PHE 25 164 LEU 26 165 ASP 27 166 LEU 28 167 VAL 29 168 LEU 30 169 ASN 31 170 VAL 32 171 PRO 33 172 LYS 34 173 HIS 35 174 ARG 36 175 ASP 37 176 SER 38 177 ARG 39 178 GLN 40 179 LEU 41 180 CYS 42 181 ILE 43 182 ARG 44 183 LEU 45 184 ALA 46 185 LYS 47 186 MET 48 187 LEU 49 188 ALA 50 189 GLU 51 190 ASP 52 191 GLU 53 192 GLN 54 193 MET 55 194 TYR 56 195 ASN 57 196 ALA 58 197 LEU 59 198 MET 60 199 LYS 61 200 ASN 62 201 LYS 63 202 ASN 64 203 ILE 65 204 PRO 66 205 ARG 67 206 ASN 68 207 GLU 69 208 LEU 70 209 LYS 71 210 LYS 72 211 LYS 73 212 ALA 74 213 LYS 75 214 VAL 76 215 HIS 77 216 GLY 78 217 ARG 79 218 THR 80 219 ILE 81 220 GLY 82 221 ASN 83 222 ASN 84 223 ARG 85 224 LYS 86 225 TYR 87 226 ILE 88 227 ILE 89 228 ALA 90 229 LEU 91 230 CYS 92 231 LEU 93 232 ILE 94 233 PHE 95 234 ARG 96 235 SER 97 236 ASN 98 237 LEU 99 238 ASN 100 239 LEU 101 240 SER 102 241 LYS 103 242 ARG 104 243 TYR 105 244 LEU 106 245 GLU 107 246 TYR 108 247 TYR 109 248 THR 110 249 MET 111 250 LEU 112 251 GLU 113 252 HIS 114 253 HIS 115 254 HIS 116 255 HIS 117 256 HIS 118 257 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _ATCC_number _Gene_mnemonic $entity_1 'Ruminiclostridium thermocellum' 203119 Bacteria . Hungateiclostridium 'Hungateiclostridium thermocellum' 'ATCC 27405' 27405 Cthe_0059 $entity_2 'Ruminiclostridium thermocellum' 203119 Bacteria . Hungateiclostridium 'Hungateiclostridium thermocellum' 'ATCC 27405' 27405 'sigI1, Cthe_0058' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . $entity_2 'recombinant technology' . . . BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] RsgI1N, 1 mM [U-13C; U-15N] SigI1C, 20 mM Bis-Tris, 50 mM sodium chloride, 2 mM EDTA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' $entity_2 1 mM '[U-13C; U-15N]' Bis-Tris 20 mM 'natural abundance' EDTA 2 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D CCH-TOCSY' '3D CCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 2 MET HA H 4.4460 0.02 1 2 1 2 MET HB2 H 2.0040 0.02 2 3 1 2 MET HB3 H 2.0040 0.02 2 4 1 2 MET HG2 H 2.5590 0.02 2 5 1 2 MET HG3 H 2.5590 0.02 2 6 1 2 MET HE H 2.0590 0.02 1 7 1 2 MET C C 175.3770 0.3 1 8 1 2 MET CA C 55.5900 0.3 1 9 1 2 MET CB C 32.6300 0.3 1 10 1 2 MET CG C 32.2200 0.3 1 11 1 2 MET CE C 17.1000 0.3 1 12 2 3 ASN H H 8.4130 0.02 1 13 2 3 ASN HA H 4.6050 0.02 1 14 2 3 ASN HB2 H 2.6790 0.02 2 15 2 3 ASN HB3 H 2.6790 0.02 2 16 2 3 ASN HD21 H 7.4850 0.02 2 17 2 3 ASN HD22 H 6.8270 0.02 2 18 2 3 ASN C C 174.5260 0.3 1 19 2 3 ASN CA C 53.5080 0.3 1 20 2 3 ASN CB C 39.1120 0.3 1 21 2 3 ASN N N 120.2550 0.2 1 22 2 3 ASN ND2 N 112.5600 0.2 1 23 3 4 ARG H H 8.1470 0.02 1 24 3 4 ARG HA H 4.1320 0.02 1 25 3 4 ARG HB2 H 0.2750 0.02 2 26 3 4 ARG HB3 H 0.9410 0.02 2 27 3 4 ARG HG2 H 1.2400 0.02 2 28 3 4 ARG HG3 H 1.2400 0.02 2 29 3 4 ARG HD2 H 2.8620 0.02 2 30 3 4 ARG HD3 H 2.8620 0.02 2 31 3 4 ARG HE H 7.3900 0.02 1 32 3 4 ARG C C 174.1300 0.3 1 33 3 4 ARG CA C 54.8430 0.3 1 34 3 4 ARG CB C 31.1300 0.3 1 35 3 4 ARG CG C 26.7440 0.3 1 36 3 4 ARG CD C 43.1790 0.3 1 37 3 4 ARG N N 120.7410 0.2 1 38 3 4 ARG NE N 84.1860 0.2 1 39 4 5 LEU H H 7.8950 0.02 1 40 4 5 LEU HA H 5.2880 0.02 1 41 4 5 LEU HB2 H 1.3450 0.02 2 42 4 5 LEU HB3 H 1.6360 0.02 2 43 4 5 LEU HG H 1.5500 0.02 1 44 4 5 LEU HD1 H 0.7810 0.02 2 45 4 5 LEU HD2 H 0.7330 0.02 2 46 4 5 LEU C C 176.9760 0.3 1 47 4 5 LEU CA C 53.7090 0.3 1 48 4 5 LEU CB C 46.2970 0.3 1 49 4 5 LEU CG C 26.8070 0.3 1 50 4 5 LEU CD1 C 24.4560 0.3 2 51 4 5 LEU CD2 C 24.4560 0.3 2 52 4 5 LEU N N 122.3060 0.2 1 53 5 6 GLY H H 9.1390 0.02 1 54 5 6 GLY HA2 H 5.3550 0.02 2 55 5 6 GLY HA3 H 3.3660 0.02 2 56 5 6 GLY C C 170.2980 0.3 1 57 5 6 GLY CA C 45.9010 0.3 1 58 5 6 GLY N N 108.5120 0.2 1 59 6 7 ILE H H 9.0780 0.02 1 60 6 7 ILE HA H 4.7860 0.02 1 61 6 7 ILE HB H 1.4720 0.02 1 62 6 7 ILE HG12 H 1.6030 0.02 2 63 6 7 ILE HG13 H 0.4520 0.02 2 64 6 7 ILE HG2 H 0.7270 0.02 1 65 6 7 ILE HD1 H 0.1310 0.02 1 66 6 7 ILE C C 177.0000 0.3 1 67 6 7 ILE CA C 59.6010 0.3 1 68 6 7 ILE CB C 42.0720 0.3 1 69 6 7 ILE CG1 C 28.1580 0.3 1 70 6 7 ILE CG2 C 17.4030 0.3 1 71 6 7 ILE CD1 C 15.1900 0.3 1 72 6 7 ILE N N 121.1890 0.2 1 73 7 8 ILE H H 8.6320 0.02 1 74 7 8 ILE HA H 4.1100 0.02 1 75 7 8 ILE HB H 2.2260 0.02 1 76 7 8 ILE HG12 H 1.7470 0.02 2 77 7 8 ILE HG13 H 0.8950 0.02 2 78 7 8 ILE HG2 H 0.7270 0.02 1 79 7 8 ILE HD1 H 0.8630 0.02 1 80 7 8 ILE C C 176.0500 0.3 1 81 7 8 ILE CA C 62.4580 0.3 1 82 7 8 ILE CB C 37.0500 0.3 1 83 7 8 ILE CG1 C 27.5850 0.3 1 84 7 8 ILE CG2 C 18.8070 0.3 1 85 7 8 ILE CD1 C 13.7090 0.3 1 86 7 8 ILE N N 124.8310 0.2 1 87 8 9 TYR H H 9.5420 0.02 1 88 8 9 TYR HA H 4.7350 0.02 1 89 8 9 TYR HB2 H 2.3570 0.02 2 90 8 9 TYR HB3 H 2.2780 0.02 2 91 8 9 TYR HD1 H 6.6540 0.02 3 92 8 9 TYR HD2 H 6.6540 0.02 3 93 8 9 TYR HE1 H 6.4050 0.02 3 94 8 9 TYR HE2 H 6.4050 0.02 3 95 8 9 TYR C C 175.0100 0.3 1 96 8 9 TYR CA C 57.8900 0.3 1 97 8 9 TYR CB C 39.3420 0.3 1 98 8 9 TYR CD1 C 130.2070 0.3 3 99 8 9 TYR CD2 C 130.2070 0.3 3 100 8 9 TYR CE1 C 116.9390 0.3 3 101 8 9 TYR CE2 C 116.9390 0.3 3 102 8 9 TYR N N 132.7190 0.2 1 103 9 10 GLU H H 7.4280 0.02 1 104 9 10 GLU HA H 4.4320 0.02 1 105 9 10 GLU HB2 H 1.6210 0.02 2 106 9 10 GLU HB3 H 2.2200 0.02 2 107 9 10 GLU HG2 H 2.2870 0.02 2 108 9 10 GLU HG3 H 2.0510 0.02 2 109 9 10 GLU C C 173.6240 0.3 1 110 9 10 GLU CA C 56.2760 0.3 1 111 9 10 GLU CB C 33.7640 0.3 1 112 9 10 GLU CG C 37.1430 0.3 1 113 9 10 GLU N N 116.4710 0.2 1 114 10 11 ILE H H 8.8300 0.02 1 115 10 11 ILE HA H 4.5310 0.02 1 116 10 11 ILE HB H 1.6230 0.02 1 117 10 11 ILE HG12 H 1.4670 0.02 2 118 10 11 ILE HG13 H 0.8090 0.02 2 119 10 11 ILE HG2 H 0.8190 0.02 1 120 10 11 ILE HD1 H 0.7390 0.02 1 121 10 11 ILE C C 174.8990 0.3 1 122 10 11 ILE CA C 61.0400 0.3 1 123 10 11 ILE CB C 40.3080 0.3 1 124 10 11 ILE CG1 C 28.2930 0.3 1 125 10 11 ILE CG2 C 17.3910 0.3 1 126 10 11 ILE CD1 C 13.6390 0.3 1 127 10 11 ILE N N 126.3540 0.2 1 128 11 12 GLN H H 8.7090 0.02 1 129 11 12 GLN HA H 4.5610 0.02 1 130 11 12 GLN HB2 H 1.8330 0.02 2 131 11 12 GLN HB3 H 1.9780 0.02 2 132 11 12 GLN HG2 H 2.2400 0.02 2 133 11 12 GLN HG3 H 2.2400 0.02 2 134 11 12 GLN HE21 H 7.7120 0.02 2 135 11 12 GLN HE22 H 6.6020 0.02 2 136 11 12 GLN C C 175.6380 0.3 1 137 11 12 GLN CA C 54.4650 0.3 1 138 11 12 GLN CB C 30.6260 0.3 1 139 11 12 GLN CG C 33.4610 0.3 1 140 11 12 GLN N N 127.5620 0.2 1 141 11 12 GLN NE2 N 111.2200 0.2 1 142 12 13 GLY H H 9.1110 0.02 1 143 12 13 GLY HA2 H 3.9360 0.02 2 144 12 13 GLY HA3 H 3.6620 0.02 2 145 12 13 GLY C C 174.8050 0.3 1 146 12 13 GLY CA C 47.5130 0.3 1 147 12 13 GLY N N 117.1180 0.2 1 148 13 14 MET H H 8.9580 0.02 1 149 13 14 MET HA H 4.7190 0.02 1 150 13 14 MET HB2 H 1.9740 0.02 2 151 13 14 MET HB3 H 2.4980 0.02 2 152 13 14 MET HG2 H 2.7850 0.02 2 153 13 14 MET HG3 H 2.5650 0.02 2 154 13 14 MET HE H 2.1050 0.02 1 155 13 14 MET C C 175.8630 0.3 1 156 13 14 MET CA C 54.7460 0.3 1 157 13 14 MET CB C 31.0430 0.3 1 158 13 14 MET CG C 32.3990 0.3 1 159 13 14 MET CE C 16.5300 0.3 1 160 13 14 MET N N 125.8060 0.2 1 161 14 15 LYS H H 8.1580 0.02 1 162 14 15 LYS HA H 5.0230 0.02 1 163 14 15 LYS HB2 H 1.5220 0.02 2 164 14 15 LYS HB3 H 1.8360 0.02 2 165 14 15 LYS HG2 H 1.1900 0.02 2 166 14 15 LYS HG3 H 0.9540 0.02 2 167 14 15 LYS HD2 H 1.2970 0.02 2 168 14 15 LYS HD3 H 1.1920 0.02 2 169 14 15 LYS HE2 H 2.4430 0.02 2 170 14 15 LYS HE3 H 2.2440 0.02 2 171 14 15 LYS C C 173.9350 0.3 1 172 14 15 LYS CA C 55.5680 0.3 1 173 14 15 LYS CB C 35.9750 0.3 1 174 14 15 LYS CG C 24.9660 0.3 1 175 14 15 LYS CD C 29.2350 0.3 1 176 14 15 LYS CE C 41.6900 0.3 1 177 14 15 LYS N N 122.2740 0.2 1 178 15 16 ALA H H 9.0910 0.02 1 179 15 16 ALA HA H 5.2510 0.02 1 180 15 16 ALA HB H 1.0630 0.02 1 181 15 16 ALA C C 175.2490 0.3 1 182 15 16 ALA CA C 50.0200 0.3 1 183 15 16 ALA CB C 21.8460 0.3 1 184 15 16 ALA N N 122.9210 0.2 1 185 16 17 VAL H H 8.9080 0.02 1 186 16 17 VAL HA H 4.8400 0.02 1 187 16 17 VAL HB H 1.7150 0.02 1 188 16 17 VAL HG1 H 0.6460 0.02 2 189 16 17 VAL HG2 H 0.8320 0.02 2 190 16 17 VAL C C 176.4170 0.3 1 191 16 17 VAL CA C 61.0620 0.3 1 192 16 17 VAL CB C 33.0410 0.3 1 193 16 17 VAL CG1 C 20.4470 0.3 2 194 16 17 VAL CG2 C 20.8630 0.3 2 195 16 17 VAL N N 121.8480 0.2 1 196 17 18 VAL H H 9.1630 0.02 1 197 17 18 VAL HA H 5.4280 0.02 1 198 17 18 VAL HB H 1.4870 0.02 1 199 17 18 VAL HG1 H 0.4470 0.02 2 200 17 18 VAL HG2 H 0.4210 0.02 2 201 17 18 VAL C C 173.9500 0.3 1 202 17 18 VAL CA C 57.4750 0.3 1 203 17 18 VAL CB C 35.0580 0.3 1 204 17 18 VAL CG1 C 21.3550 0.3 2 205 17 18 VAL CG2 C 19.4440 0.3 2 206 17 18 VAL N N 120.5190 0.2 1 207 18 19 LEU H H 7.9450 0.02 1 208 18 19 LEU HA H 4.6290 0.02 1 209 18 19 LEU HB2 H 1.1820 0.02 2 210 18 19 LEU HB3 H 0.2540 0.02 2 211 18 19 LEU HG H 1.3060 0.02 1 212 18 19 LEU HD1 H -0.0720 0.02 2 213 18 19 LEU HD2 H 0.6370 0.02 2 214 18 19 LEU C C 177.3060 0.3 1 215 18 19 LEU CA C 52.9650 0.3 1 216 18 19 LEU CB C 43.4600 0.3 1 217 18 19 LEU CG C 26.8070 0.3 1 218 18 19 LEU CD1 C 21.3550 0.3 2 219 18 19 LEU CD2 C 25.8860 0.3 2 220 18 19 LEU N N 122.8320 0.2 1 221 19 20 THR H H 9.2110 0.02 1 222 19 20 THR HA H 5.5790 0.02 1 223 19 20 THR HB H 4.9000 0.02 1 224 19 20 THR HG2 H 1.3100 0.02 1 225 19 20 THR C C 176.2450 0.3 1 226 19 20 THR CA C 59.9860 0.3 1 227 19 20 THR CB C 72.8550 0.3 1 228 19 20 THR CG2 C 22.4170 0.3 1 229 19 20 THR N N 115.4060 0.2 1 230 20 21 SER H H 8.3750 0.02 1 231 20 21 SER HA H 3.6130 0.02 1 232 20 21 SER HB2 H 3.8370 0.02 2 233 20 21 SER HB3 H 3.0210 0.02 2 234 20 21 SER C C 174.3850 0.3 1 235 20 21 SER CA C 59.7220 0.3 1 236 20 21 SER CB C 62.2760 0.3 1 237 20 21 SER N N 112.5530 0.2 1 238 21 22 GLU H H 7.5110 0.02 1 239 21 22 GLU HA H 3.9840 0.02 1 240 21 22 GLU HB2 H 2.0330 0.02 2 241 21 22 GLU HB3 H 2.0330 0.02 2 242 21 22 GLU HG2 H 2.1110 0.02 2 243 21 22 GLU HG3 H 2.1110 0.02 2 244 21 22 GLU C C 174.9530 0.3 1 245 21 22 GLU CA C 54.2640 0.3 1 246 21 22 GLU CB C 28.9380 0.3 1 247 21 22 GLU CG C 36.8590 0.3 1 248 21 22 GLU N N 117.8260 0.2 1 249 22 23 GLY H H 7.9130 0.02 1 250 22 23 GLY HA2 H 3.2080 0.02 2 251 22 23 GLY HA3 H 3.4320 0.02 2 252 22 23 GLY C C 173.5420 0.3 1 253 22 23 GLY CA C 46.0720 0.3 1 254 22 23 GLY N N 105.0460 0.2 1 255 23 24 GLU H H 7.4720 0.02 1 256 23 24 GLU HA H 4.3670 0.02 1 257 23 24 GLU HB2 H 1.8420 0.02 2 258 23 24 GLU HB3 H 1.8420 0.02 2 259 23 24 GLU HG2 H 1.9100 0.02 2 260 23 24 GLU HG3 H 1.7930 0.02 2 261 23 24 GLU C C 175.2550 0.3 1 262 23 24 GLU CA C 54.7810 0.3 1 263 23 24 GLU CB C 31.3860 0.3 1 264 23 24 GLU CG C 35.8200 0.3 1 265 23 24 GLU N N 115.0960 0.2 1 266 24 25 PHE H H 6.2080 0.02 1 267 24 25 PHE HA H 5.7070 0.02 1 268 24 25 PHE HB2 H 2.4190 0.02 2 269 24 25 PHE HB3 H 2.5430 0.02 2 270 24 25 PHE HD1 H 6.8200 0.02 3 271 24 25 PHE HD2 H 6.8200 0.02 3 272 24 25 PHE HE1 H 6.7920 0.02 3 273 24 25 PHE HE2 H 6.7920 0.02 3 274 24 25 PHE C C 174.4640 0.3 1 275 24 25 PHE CA C 57.4400 0.3 1 276 24 25 PHE CB C 40.9700 0.3 1 277 24 25 PHE CD1 C 131.5400 0.3 3 278 24 25 PHE CD2 C 131.5400 0.3 3 279 24 25 PHE CE1 C 130.9600 0.3 3 280 24 25 PHE CE2 C 130.9600 0.3 3 281 24 25 PHE N N 119.0260 0.2 1 282 25 26 LEU H H 8.7770 0.02 1 283 25 26 LEU HA H 4.7950 0.02 1 284 25 26 LEU HB2 H 1.2190 0.02 2 285 25 26 LEU HB3 H 1.4310 0.02 2 286 25 26 LEU HG H 1.3000 0.02 1 287 25 26 LEU HD1 H 0.7820 0.02 2 288 25 26 LEU HD2 H 0.9370 0.02 2 289 25 26 LEU C C 174.3640 0.3 1 290 25 26 LEU CA C 53.0900 0.3 1 291 25 26 LEU CB C 46.9770 0.3 1 292 25 26 LEU CG C 26.5400 0.3 1 293 25 26 LEU CD1 C 26.5400 0.3 2 294 25 26 LEU CD2 C 23.6210 0.3 2 295 25 26 LEU N N 121.8570 0.2 1 296 26 27 ILE H H 9.1670 0.02 1 297 26 27 ILE HA H 5.0000 0.02 1 298 26 27 ILE HB H 1.8520 0.02 1 299 26 27 ILE HG12 H 1.7710 0.02 2 300 26 27 ILE HG13 H 0.9250 0.02 2 301 26 27 ILE HG2 H 0.7760 0.02 1 302 26 27 ILE HD1 H 0.8350 0.02 1 303 26 27 ILE C C 175.4990 0.3 1 304 26 27 ILE CA C 60.2100 0.3 1 305 26 27 ILE CB C 38.6090 0.3 1 306 26 27 ILE CG1 C 28.6470 0.3 1 307 26 27 ILE CG2 C 18.8780 0.3 1 308 26 27 ILE CD1 C 13.5680 0.3 1 309 26 27 ILE N N 121.0490 0.2 1 310 27 28 ILE H H 9.2240 0.02 1 311 27 28 ILE HA H 5.4190 0.02 1 312 27 28 ILE HB H 1.4470 0.02 1 313 27 28 ILE HG12 H 0.5460 0.02 2 314 27 28 ILE HG13 H 1.0090 0.02 2 315 27 28 ILE HG2 H -0.0460 0.02 1 316 27 28 ILE HD1 H 0.1500 0.02 1 317 27 28 ILE C C 175.7870 0.3 1 318 27 28 ILE CA C 58.0600 0.3 1 319 27 28 ILE CB C 42.8770 0.3 1 320 27 28 ILE CG1 C 25.3610 0.3 1 321 27 28 ILE CG2 C 16.7300 0.3 1 322 27 28 ILE CD1 C 13.7870 0.3 1 323 27 28 ILE N N 118.9850 0.2 1 324 28 29 ARG H H 8.3250 0.02 1 325 28 29 ARG HA H 4.3500 0.02 1 326 28 29 ARG HB2 H 1.8200 0.02 2 327 28 29 ARG HB3 H 1.8200 0.02 2 328 28 29 ARG HG2 H 1.6460 0.02 2 329 28 29 ARG HG3 H 1.6460 0.02 2 330 28 29 ARG HD2 H 3.2600 0.02 2 331 28 29 ARG HD3 H 3.2600 0.02 2 332 28 29 ARG HE H 7.6190 0.02 1 333 28 29 ARG C C 175.1600 0.3 1 334 28 29 ARG CA C 57.0720 0.3 1 335 28 29 ARG CB C 30.9470 0.3 1 336 28 29 ARG CG C 26.9200 0.3 1 337 28 29 ARG CD C 43.6140 0.3 1 338 28 29 ARG N N 120.2490 0.2 1 339 28 29 ARG NE N 84.5800 0.2 1 340 29 30 ARG H H 7.9430 0.02 1 341 29 30 ARG HA H 4.3530 0.02 1 342 29 30 ARG HB2 H 1.3820 0.02 2 343 29 30 ARG HB3 H 1.5230 0.02 2 344 29 30 ARG HG2 H 1.6010 0.02 2 345 29 30 ARG HG3 H 1.4300 0.02 2 346 29 30 ARG HD2 H 3.0550 0.02 2 347 29 30 ARG HD3 H 3.0550 0.02 2 348 29 30 ARG HE H 7.2320 0.02 1 349 29 30 ARG C C 175.4950 0.3 1 350 29 30 ARG CA C 55.4120 0.3 1 351 29 30 ARG CB C 31.6860 0.3 1 352 29 30 ARG CG C 26.8560 0.3 1 353 29 30 ARG CD C 44.5760 0.3 1 354 29 30 ARG N N 124.7020 0.2 1 355 29 30 ARG NE N 84.2000 0.2 1 356 30 31 ARG H H 8.1980 0.02 1 357 30 31 ARG HA H 4.7640 0.02 1 358 30 31 ARG HB2 H 1.7140 0.02 2 359 30 31 ARG HB3 H 2.1070 0.02 2 360 30 31 ARG HG2 H 1.7760 0.02 2 361 30 31 ARG HG3 H 1.6420 0.02 2 362 30 31 ARG HD2 H 3.2440 0.02 2 363 30 31 ARG HD3 H 3.4100 0.02 2 364 30 31 ARG HE H 7.7490 0.02 1 365 30 31 ARG C C 177.5930 0.3 1 366 30 31 ARG CA C 54.6620 0.3 1 367 30 31 ARG CB C 33.5350 0.3 1 368 30 31 ARG CG C 27.7400 0.3 1 369 30 31 ARG CD C 43.6500 0.3 1 370 30 31 ARG N N 125.5520 0.2 1 371 30 31 ARG NE N 84.6100 0.2 1 372 31 32 LYS H H 8.7130 0.02 1 373 31 32 LYS HA H 3.9720 0.02 1 374 31 32 LYS HB2 H 1.8910 0.02 2 375 31 32 LYS HB3 H 1.8110 0.02 2 376 31 32 LYS HG2 H 1.4570 0.02 2 377 31 32 LYS HG3 H 1.4570 0.02 2 378 31 32 LYS HD2 H 1.6990 0.02 2 379 31 32 LYS HD3 H 1.6990 0.02 2 380 31 32 LYS HE2 H 3.0170 0.02 2 381 31 32 LYS HE3 H 3.0170 0.02 2 382 31 32 LYS C C 176.6090 0.3 1 383 31 32 LYS CA C 59.1960 0.3 1 384 31 32 LYS CB C 32.7540 0.3 1 385 31 32 LYS CG C 24.4700 0.3 1 386 31 32 LYS CD C 29.2840 0.3 1 387 31 32 LYS CE C 42.1690 0.3 1 388 31 32 LYS N N 121.5250 0.2 1 389 32 33 ASP H H 8.5770 0.02 1 390 32 33 ASP HA H 4.5560 0.02 1 391 32 33 ASP HB2 H 2.8310 0.02 2 392 32 33 ASP HB3 H 2.7650 0.02 2 393 32 33 ASP C C 175.7890 0.3 1 394 32 33 ASP CA C 54.6030 0.3 1 395 32 33 ASP CB C 39.9790 0.3 1 396 32 33 ASP N N 116.5720 0.2 1 397 33 34 MET H H 7.3990 0.02 1 398 33 34 MET HA H 4.4840 0.02 1 399 33 34 MET HB2 H 1.8940 0.02 2 400 33 34 MET HB3 H 1.7550 0.02 2 401 33 34 MET HG2 H 2.7850 0.02 2 402 33 34 MET HG3 H 2.4460 0.02 2 403 33 34 MET HE H 2.1120 0.02 1 404 33 34 MET C C 175.8120 0.3 1 405 33 34 MET CA C 57.6660 0.3 1 406 33 34 MET CB C 34.0160 0.3 1 407 33 34 MET CG C 34.4520 0.3 1 408 33 34 MET CE C 17.7800 0.3 1 409 33 34 MET N N 118.1100 0.2 1 410 34 35 LYS H H 7.7880 0.02 1 411 34 35 LYS HA H 4.5520 0.02 1 412 34 35 LYS HB2 H 1.5200 0.02 2 413 34 35 LYS HB3 H 1.8590 0.02 2 414 34 35 LYS HG2 H 1.3840 0.02 2 415 34 35 LYS HG3 H 1.3840 0.02 2 416 34 35 LYS HD2 H 1.6630 0.02 2 417 34 35 LYS HD3 H 1.6630 0.02 2 418 34 35 LYS HE2 H 2.9820 0.02 2 419 34 35 LYS HE3 H 2.9820 0.02 2 420 34 35 LYS C C 174.9770 0.3 1 421 34 35 LYS CA C 54.5160 0.3 1 422 34 35 LYS CB C 36.2810 0.3 1 423 34 35 LYS CG C 24.4700 0.3 1 424 34 35 LYS CD C 29.2840 0.3 1 425 34 35 LYS CE C 42.2400 0.3 1 426 34 35 LYS N N 119.9150 0.2 1 427 35 36 VAL H H 8.4670 0.02 1 428 35 36 VAL HA H 3.3000 0.02 1 429 35 36 VAL HB H 1.8270 0.02 1 430 35 36 VAL HG1 H 0.9270 0.02 2 431 35 36 VAL HG2 H 0.9950 0.02 2 432 35 36 VAL C C 176.4340 0.3 1 433 35 36 VAL CA C 65.6270 0.3 1 434 35 36 VAL CB C 31.6900 0.3 1 435 35 36 VAL CG1 C 22.0630 0.3 2 436 35 36 VAL CG2 C 23.1250 0.3 2 437 35 36 VAL N N 120.7870 0.2 1 438 36 37 GLY H H 9.5800 0.02 1 439 36 37 GLY HA2 H 3.2160 0.02 2 440 36 37 GLY HA3 H 4.5610 0.02 2 441 36 37 GLY C C 173.1130 0.3 1 442 36 37 GLY CA C 45.2470 0.3 1 443 36 37 GLY N N 116.3810 0.2 1 444 37 38 GLN H H 7.5740 0.02 1 445 37 38 GLN HA H 4.4110 0.02 1 446 37 38 GLN HB2 H 2.1000 0.02 2 447 37 38 GLN HB3 H 2.2150 0.02 2 448 37 38 GLN HG2 H 2.4600 0.02 2 449 37 38 GLN HG3 H 2.3750 0.02 2 450 37 38 GLN HE21 H 7.6040 0.02 2 451 37 38 GLN HE22 H 6.8540 0.02 2 452 37 38 GLN C C 175.8240 0.3 1 453 37 38 GLN CA C 55.9920 0.3 1 454 37 38 GLN CB C 30.8520 0.3 1 455 37 38 GLN CG C 34.3920 0.3 1 456 37 38 GLN N N 117.1970 0.2 1 457 37 38 GLN NE2 N 110.8700 0.2 1 458 38 39 GLN H H 8.7730 0.02 1 459 38 39 GLN HA H 5.3360 0.02 1 460 38 39 GLN HB2 H 2.0140 0.02 2 461 38 39 GLN HB3 H 2.1330 0.02 2 462 38 39 GLN HG2 H 2.4160 0.02 2 463 38 39 GLN HG3 H 2.1550 0.02 2 464 38 39 GLN HE21 H 7.8900 0.02 2 465 38 39 GLN HE22 H 7.3100 0.02 2 466 38 39 GLN C C 176.1200 0.3 1 467 38 39 GLN CA C 55.4920 0.3 1 468 38 39 GLN CB C 31.1910 0.3 1 469 38 39 GLN CG C 35.7970 0.3 1 470 38 39 GLN N N 120.4520 0.2 1 471 38 39 GLN NE2 N 113.4800 0.2 1 472 39 40 VAL H H 9.7780 0.02 1 473 39 40 VAL HA H 4.8320 0.02 1 474 39 40 VAL HB H 2.2140 0.02 1 475 39 40 VAL HG1 H 0.8360 0.02 2 476 39 40 VAL HG2 H 0.9440 0.02 2 477 39 40 VAL C C 173.7390 0.3 1 478 39 40 VAL CA C 59.0700 0.3 1 479 39 40 VAL CB C 35.6310 0.3 1 480 39 40 VAL CG1 C 18.6650 0.3 2 481 39 40 VAL CG2 C 21.9220 0.3 2 482 39 40 VAL N N 120.4760 0.2 1 483 40 41 SER H H 8.4350 0.02 1 484 40 41 SER HA H 5.5540 0.02 1 485 40 41 SER HB2 H 3.7970 0.02 2 486 40 41 SER HB3 H 3.7970 0.02 2 487 40 41 SER C C 174.3090 0.3 1 488 40 41 SER CA C 56.4900 0.3 1 489 40 41 SER CB C 64.9200 0.3 1 490 40 41 SER N N 117.1500 0.2 1 491 41 42 PHE H H 8.1860 0.02 1 492 41 42 PHE HA H 4.9790 0.02 1 493 41 42 PHE HB2 H 3.3350 0.02 2 494 41 42 PHE HB3 H 2.9090 0.02 2 495 41 42 PHE HD1 H 6.9890 0.02 3 496 41 42 PHE HD2 H 6.9890 0.02 3 497 41 42 PHE HE1 H 6.7580 0.02 3 498 41 42 PHE HE2 H 6.7580 0.02 3 499 41 42 PHE HZ H 6.8640 0.02 1 500 41 42 PHE C C 172.1630 0.3 1 501 41 42 PHE CA C 55.9950 0.3 1 502 41 42 PHE CB C 39.9100 0.3 1 503 41 42 PHE CD1 C 132.8770 0.3 3 504 41 42 PHE CD2 C 132.8770 0.3 3 505 41 42 PHE CE1 C 129.3500 0.3 3 506 41 42 PHE CE2 C 129.3500 0.3 3 507 41 42 PHE CZ C 129.5400 0.3 1 508 41 42 PHE N N 119.4720 0.2 1 509 42 43 GLU H H 9.2820 0.02 1 510 42 43 GLU HA H 4.7800 0.02 1 511 42 43 GLU HB2 H 1.8280 0.02 2 512 42 43 GLU HB3 H 2.4120 0.02 2 513 42 43 GLU HG2 H 2.3410 0.02 2 514 42 43 GLU HG3 H 2.2740 0.02 2 515 42 43 GLU C C 178.1010 0.3 1 516 42 43 GLU CA C 53.9920 0.3 1 517 42 43 GLU CB C 32.7390 0.3 1 518 42 43 GLU CG C 36.1510 0.3 1 519 42 43 GLU N N 118.9140 0.2 1 520 43 44 ASN H H 9.0930 0.02 1 521 43 44 ASN HA H 4.4410 0.02 1 522 43 44 ASN HB2 H 2.8000 0.02 2 523 43 44 ASN HB3 H 2.8000 0.02 2 524 43 44 ASN HD21 H 7.7050 0.02 2 525 43 44 ASN HD22 H 6.9650 0.02 2 526 43 44 ASN C C 178.7510 0.3 1 527 43 44 ASN CA C 56.7960 0.3 1 528 43 44 ASN CB C 37.8070 0.3 1 529 43 44 ASN N N 121.1880 0.2 1 530 43 44 ASN ND2 N 112.4000 0.2 1 531 44 45 GLU H H 9.0610 0.02 1 532 44 45 GLU HA H 4.1400 0.02 1 533 44 45 GLU HB2 H 2.0550 0.02 2 534 44 45 GLU HB3 H 2.0550 0.02 2 535 44 45 GLU HG2 H 2.4510 0.02 2 536 44 45 GLU HG3 H 2.3080 0.02 2 537 44 45 GLU C C 176.4830 0.3 1 538 44 45 GLU CA C 59.0540 0.3 1 539 44 45 GLU CB C 28.8010 0.3 1 540 44 45 GLU CG C 36.7890 0.3 1 541 44 45 GLU N N 117.2220 0.2 1 542 45 46 ASP H H 7.9980 0.02 1 543 45 46 ASP HA H 4.5800 0.02 1 544 45 46 ASP HB2 H 3.0180 0.02 2 545 45 46 ASP HB3 H 3.2060 0.02 2 546 45 46 ASP C C 175.7390 0.3 1 547 45 46 ASP CA C 55.6060 0.3 1 548 45 46 ASP CB C 42.5020 0.3 1 549 45 46 ASP N N 117.3810 0.2 1 550 46 47 ILE H H 7.4370 0.02 1 551 46 47 ILE HA H 4.0670 0.02 1 552 46 47 ILE HB H 1.9120 0.02 1 553 46 47 ILE HG12 H 2.0210 0.02 2 554 46 47 ILE HG13 H 0.8580 0.02 2 555 46 47 ILE HG2 H 1.0090 0.02 1 556 46 47 ILE HD1 H 1.1030 0.02 1 557 46 47 ILE C C 176.6730 0.3 1 558 46 47 ILE CA C 62.9070 0.3 1 559 46 47 ILE CB C 39.3180 0.3 1 560 46 47 ILE CG1 C 28.2220 0.3 1 561 46 47 ILE CG2 C 17.4620 0.3 1 562 46 47 ILE CD1 C 14.8420 0.3 1 563 46 47 ILE N N 119.8260 0.2 1 564 47 48 TYR H H 9.1260 0.02 1 565 47 48 TYR HA H 4.4640 0.02 1 566 47 48 TYR HB2 H 2.6850 0.02 2 567 47 48 TYR HB3 H 2.7950 0.02 2 568 47 48 TYR HD1 H 6.9950 0.02 3 569 47 48 TYR HD2 H 6.9950 0.02 3 570 47 48 TYR HE1 H 6.7380 0.02 3 571 47 48 TYR HE2 H 6.7380 0.02 3 572 47 48 TYR C C 175.0030 0.3 1 573 47 48 TYR CA C 57.9980 0.3 1 574 47 48 TYR CB C 38.8640 0.3 1 575 47 48 TYR CD1 C 132.8630 0.3 3 576 47 48 TYR CD2 C 132.8630 0.3 3 577 47 48 TYR CE1 C 118.2260 0.3 3 578 47 48 TYR CE2 C 118.2260 0.3 3 579 47 48 TYR N N 129.5110 0.2 1 580 48 49 ASN H H 8.6130 0.02 1 581 48 49 ASN HA H 4.7650 0.02 1 582 48 49 ASN HB2 H 2.7000 0.02 2 583 48 49 ASN HB3 H 2.8230 0.02 2 584 48 49 ASN HD21 H 7.5960 0.02 2 585 48 49 ASN HD22 H 6.8940 0.02 2 586 48 49 ASN C C 175.3580 0.3 1 587 48 49 ASN CA C 52.9280 0.3 1 588 48 49 ASN CB C 38.3730 0.3 1 589 48 49 ASN N N 123.2590 0.2 1 590 48 49 ASN ND2 N 112.6100 0.2 1 591 49 50 VAL H H 8.0970 0.02 1 592 49 50 VAL HA H 4.1150 0.02 1 593 49 50 VAL HB H 2.1190 0.02 1 594 49 50 VAL HG1 H 0.9310 0.02 2 595 49 50 VAL HG2 H 0.9310 0.02 2 596 49 50 VAL C C 175.8220 0.3 1 597 49 50 VAL CA C 62.4590 0.3 1 598 49 50 VAL CB C 32.4430 0.3 1 599 49 50 VAL CG1 C 20.6000 0.3 2 600 49 50 VAL CG2 C 21.4000 0.3 2 601 49 50 VAL N N 121.8190 0.2 1 602 50 51 ARG H H 8.2860 0.02 1 603 50 51 ARG HA H 4.3980 0.02 1 604 50 51 ARG HB2 H 1.8180 0.02 2 605 50 51 ARG HB3 H 1.9340 0.02 2 606 50 51 ARG HG2 H 1.6750 0.02 2 607 50 51 ARG HG3 H 1.6750 0.02 2 608 50 51 ARG HD2 H 3.2510 0.02 2 609 50 51 ARG HD3 H 3.2510 0.02 2 610 50 51 ARG C C 176.5250 0.3 1 611 50 51 ARG CA C 56.1270 0.3 1 612 50 51 ARG CB C 31.1980 0.3 1 613 50 51 ARG CG C 27.2310 0.3 1 614 50 51 ARG CD C 43.5850 0.3 1 615 50 51 ARG N N 122.8450 0.2 1 616 51 52 GLY H H 8.2370 0.02 1 617 51 52 GLY HA2 H 3.9350 0.02 2 618 51 52 GLY HA3 H 3.9860 0.02 2 619 51 52 GLY C C 172.9310 0.3 1 620 51 52 GLY CA C 45.3490 0.3 1 621 51 52 GLY N N 109.9320 0.2 1 622 52 53 LYS H H 7.8790 0.02 1 623 52 53 LYS HA H 4.1780 0.02 1 624 52 53 LYS HB2 H 1.7310 0.02 2 625 52 53 LYS HB3 H 1.8370 0.02 2 626 52 53 LYS HG2 H 1.4050 0.02 2 627 52 53 LYS HG3 H 1.4050 0.02 2 628 52 53 LYS HD2 H 1.6940 0.02 2 629 52 53 LYS HD3 H 1.6940 0.02 2 630 52 53 LYS HE2 H 3.0170 0.02 2 631 52 53 LYS HE3 H 3.0170 0.02 2 632 52 53 LYS C C 181.4700 0.3 1 633 52 53 LYS CA C 57.8260 0.3 1 634 52 53 LYS CB C 33.7300 0.3 1 635 52 53 LYS CG C 24.8240 0.3 1 636 52 53 LYS CD C 29.2140 0.3 1 637 52 53 LYS CE C 42.2400 0.3 1 638 52 53 LYS N N 125.8620 0.2 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D CCH-TOCSY' '3D CCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 141 2 GLU HA H 4.4150 0.02 1 2 141 2 GLU HB2 H 2.1290 0.02 2 3 141 2 GLU HB3 H 1.9940 0.02 2 4 141 2 GLU HG2 H 2.3370 0.02 2 5 141 2 GLU HG3 H 2.3370 0.02 2 6 141 2 GLU C C 175.8250 0.3 1 7 141 2 GLU CA C 56.3200 0.3 1 8 141 2 GLU CB C 30.7000 0.3 1 9 141 2 GLU CG C 36.3000 0.3 1 10 142 3 ASP H H 8.5700 0.02 1 11 142 3 ASP HA H 4.6720 0.02 1 12 142 3 ASP HB2 H 2.6640 0.02 2 13 142 3 ASP HB3 H 2.6030 0.02 2 14 142 3 ASP C C 174.9380 0.3 1 15 142 3 ASP CA C 54.6580 0.3 1 16 142 3 ASP CB C 41.2700 0.3 1 17 142 3 ASP N N 121.4220 0.2 1 18 143 4 ILE H H 7.9350 0.02 1 19 143 4 ILE HA H 4.6540 0.02 1 20 143 4 ILE HB H 1.7860 0.02 1 21 143 4 ILE HG12 H 1.3530 0.02 2 22 143 4 ILE HG13 H 1.0890 0.02 2 23 143 4 ILE HG2 H 0.9180 0.02 1 24 143 4 ILE HD1 H 0.8880 0.02 1 25 143 4 ILE C C 175.4740 0.3 1 26 143 4 ILE CA C 59.7130 0.3 1 27 143 4 ILE CB C 42.0230 0.3 1 28 143 4 ILE CG1 C 26.5230 0.3 1 29 143 4 ILE CG2 C 17.8160 0.3 1 30 143 4 ILE CD1 C 13.9220 0.3 1 31 143 4 ILE N N 118.3130 0.2 1 32 144 5 GLU H H 9.0100 0.02 1 33 144 5 GLU HA H 5.1790 0.02 1 34 144 5 GLU HB2 H 1.5690 0.02 2 35 144 5 GLU HB3 H 1.9490 0.02 2 36 144 5 GLU HG2 H 2.1120 0.02 2 37 144 5 GLU HG3 H 2.1120 0.02 2 38 144 5 GLU C C 176.0070 0.3 1 39 144 5 GLU CA C 54.1410 0.3 1 40 144 5 GLU CB C 31.4160 0.3 1 41 144 5 GLU CG C 36.8590 0.3 1 42 144 5 GLU N N 124.7520 0.2 1 43 145 6 ALA H H 9.3110 0.02 1 44 145 6 ALA HA H 4.3090 0.02 1 45 145 6 ALA HB H 1.6030 0.02 1 46 145 6 ALA C C 179.1800 0.3 1 47 145 6 ALA CA C 52.6800 0.3 1 48 145 6 ALA CB C 18.2990 0.3 1 49 145 6 ALA N N 127.4140 0.2 1 50 146 7 ARG H H 8.6260 0.02 1 51 146 7 ARG HA H 3.7190 0.02 1 52 146 7 ARG HB2 H 1.9790 0.02 2 53 146 7 ARG HB3 H 1.8130 0.02 2 54 146 7 ARG HG2 H 1.6510 0.02 2 55 146 7 ARG HG3 H 1.6110 0.02 2 56 146 7 ARG HD2 H 3.2380 0.02 2 57 146 7 ARG HD3 H 3.2380 0.02 2 58 146 7 ARG HE H 7.6300 0.02 1 59 146 7 ARG C C 178.3060 0.3 1 60 146 7 ARG CA C 59.6770 0.3 1 61 146 7 ARG CB C 29.6690 0.3 1 62 146 7 ARG CG C 26.8070 0.3 1 63 146 7 ARG CD C 43.4430 0.3 1 64 146 7 ARG N N 126.3620 0.2 1 65 146 7 ARG NE N 84.6050 0.2 1 66 147 8 GLU H H 9.8320 0.02 1 67 147 8 GLU HA H 4.0520 0.02 1 68 147 8 GLU HB2 H 2.0430 0.02 2 69 147 8 GLU HB3 H 2.0430 0.02 2 70 147 8 GLU HG2 H 2.4810 0.02 2 71 147 8 GLU HG3 H 2.3310 0.02 2 72 147 8 GLU C C 179.1380 0.3 1 73 147 8 GLU CA C 60.2660 0.3 1 74 147 8 GLU CB C 28.5870 0.3 1 75 147 8 GLU CG C 36.8590 0.3 1 76 147 8 GLU N N 117.7500 0.2 1 77 148 9 ASP H H 7.0930 0.02 1 78 148 9 ASP HA H 4.6070 0.02 1 79 148 9 ASP HB2 H 2.4840 0.02 2 80 148 9 ASP HB3 H 2.8380 0.02 2 81 148 9 ASP C C 179.1210 0.3 1 82 148 9 ASP CA C 57.5280 0.3 1 83 148 9 ASP CB C 41.1660 0.3 1 84 148 9 ASP N N 118.5090 0.2 1 85 149 10 ILE H H 7.5610 0.02 1 86 149 10 ILE HA H 3.5290 0.02 1 87 149 10 ILE HB H 1.8210 0.02 1 88 149 10 ILE HG12 H 1.4130 0.02 2 89 149 10 ILE HG13 H 0.3540 0.02 2 90 149 10 ILE HG2 H 0.8680 0.02 1 91 149 10 ILE HD1 H 0.4470 0.02 1 92 149 10 ILE C C 177.7880 0.3 1 93 149 10 ILE CA C 65.6830 0.3 1 94 149 10 ILE CB C 37.5840 0.3 1 95 149 10 ILE CG1 C 29.7090 0.3 1 96 149 10 ILE CG2 C 17.7450 0.3 1 97 149 10 ILE CD1 C 13.7090 0.3 1 98 149 10 ILE N N 124.8670 0.2 1 99 150 11 GLU H H 8.5720 0.02 1 100 150 11 GLU HA H 4.0570 0.02 1 101 150 11 GLU HB2 H 2.1180 0.02 2 102 150 11 GLU HB3 H 2.0340 0.02 2 103 150 11 GLU HG2 H 2.4630 0.02 2 104 150 11 GLU HG3 H 2.3310 0.02 2 105 150 11 GLU C C 179.7320 0.3 1 106 150 11 GLU CA C 59.4340 0.3 1 107 150 11 GLU CB C 28.7940 0.3 1 108 150 11 GLU CG C 36.6470 0.3 1 109 150 11 GLU N N 119.3880 0.2 1 110 151 12 GLU H H 7.9610 0.02 1 111 151 12 GLU HA H 4.1770 0.02 1 112 151 12 GLU HB2 H 2.2720 0.02 2 113 151 12 GLU HB3 H 2.1960 0.02 2 114 151 12 GLU HG2 H 2.4210 0.02 2 115 151 12 GLU HG3 H 2.4210 0.02 2 116 151 12 GLU C C 178.5520 0.3 1 117 151 12 GLU CA C 59.3670 0.3 1 118 151 12 GLU CB C 29.1720 0.3 1 119 151 12 GLU CG C 36.2220 0.3 1 120 151 12 GLU N N 120.3070 0.2 1 121 152 13 LEU H H 7.6220 0.02 1 122 152 13 LEU HA H 4.1770 0.02 1 123 152 13 LEU HB2 H 1.7000 0.02 2 124 152 13 LEU HB3 H 1.7000 0.02 2 125 152 13 LEU HG H 1.6850 0.02 1 126 152 13 LEU HD1 H 0.9360 0.02 2 127 152 13 LEU HD2 H 1.0680 0.02 2 128 152 13 LEU C C 178.5300 0.3 1 129 152 13 LEU CA C 58.3270 0.3 1 130 152 13 LEU CB C 40.9670 0.3 1 131 152 13 LEU CG C 27.2000 0.3 1 132 152 13 LEU CD1 C 24.3900 0.3 2 133 152 13 LEU CD2 C 26.8000 0.3 2 134 152 13 LEU N N 122.0370 0.2 1 135 153 14 LYS H H 8.4720 0.02 1 136 153 14 LYS HA H 3.5440 0.02 1 137 153 14 LYS HB2 H 2.0840 0.02 2 138 153 14 LYS HB3 H 1.9040 0.02 2 139 153 14 LYS HG2 H 1.2120 0.02 2 140 153 14 LYS HG3 H 1.2120 0.02 2 141 153 14 LYS HD2 H 1.7900 0.02 2 142 153 14 LYS HD3 H 1.7520 0.02 2 143 153 14 LYS HE2 H 2.9370 0.02 2 144 153 14 LYS HE3 H 2.9370 0.02 2 145 153 14 LYS C C 179.3310 0.3 1 146 153 14 LYS CA C 60.5480 0.3 1 147 153 14 LYS CB C 32.4830 0.3 1 148 153 14 LYS CG C 25.0370 0.3 1 149 153 14 LYS CD C 29.4970 0.3 1 150 153 14 LYS CE C 42.1690 0.3 1 151 153 14 LYS N N 119.1720 0.2 1 152 154 15 LYS H H 7.9050 0.02 1 153 154 15 LYS HA H 4.0870 0.02 1 154 154 15 LYS HB2 H 2.0100 0.02 2 155 154 15 LYS HB3 H 2.0100 0.02 2 156 154 15 LYS HG2 H 1.4680 0.02 2 157 154 15 LYS HG3 H 1.6570 0.02 2 158 154 15 LYS HD2 H 1.7440 0.02 2 159 154 15 LYS HD3 H 1.7440 0.02 2 160 154 15 LYS HE2 H 3.0000 0.02 2 161 154 15 LYS HE3 H 3.0000 0.02 2 162 154 15 LYS C C 179.5620 0.3 1 163 154 15 LYS CA C 59.5700 0.3 1 164 154 15 LYS CB C 32.4390 0.3 1 165 154 15 LYS CG C 25.0370 0.3 1 166 154 15 LYS CD C 29.4260 0.3 1 167 154 15 LYS CE C 42.1690 0.3 1 168 154 15 LYS N N 119.6800 0.2 1 169 155 16 LYS H H 8.2490 0.02 1 170 155 16 LYS HA H 4.1930 0.02 1 171 155 16 LYS HB2 H 1.9120 0.02 2 172 155 16 LYS HB3 H 2.1300 0.02 2 173 155 16 LYS HG2 H 1.6440 0.02 2 174 155 16 LYS HG3 H 1.4540 0.02 2 175 155 16 LYS HD2 H 1.8020 0.02 2 176 155 16 LYS HD3 H 1.8020 0.02 2 177 155 16 LYS HE2 H 3.0580 0.02 2 178 155 16 LYS HE3 H 3.0580 0.02 2 179 155 16 LYS C C 180.1360 0.3 1 180 155 16 LYS CA C 59.4620 0.3 1 181 155 16 LYS CB C 32.8420 0.3 1 182 155 16 LYS CG C 25.0370 0.3 1 183 155 16 LYS CD C 29.4260 0.3 1 184 155 16 LYS CE C 42.1690 0.3 1 185 155 16 LYS N N 121.0430 0.2 1 186 156 17 LEU H H 8.8910 0.02 1 187 156 17 LEU HA H 3.9570 0.02 1 188 156 17 LEU HB2 H 1.5310 0.02 2 189 156 17 LEU HB3 H 1.7740 0.02 2 190 156 17 LEU HG H 1.7880 0.02 1 191 156 17 LEU HD1 H 0.6260 0.02 2 192 156 17 LEU HD2 H 0.5520 0.02 2 193 156 17 LEU C C 180.2770 0.3 1 194 156 17 LEU CA C 58.3990 0.3 1 195 156 17 LEU CB C 40.4490 0.3 1 196 156 17 LEU CG C 26.4600 0.3 1 197 156 17 LEU CD1 C 23.4080 0.3 2 198 156 17 LEU CD2 C 26.2400 0.3 2 199 156 17 LEU N N 118.7250 0.2 1 200 157 18 GLN H H 7.9040 0.02 1 201 157 18 GLN HA H 4.0800 0.02 1 202 157 18 GLN HB2 H 2.3250 0.02 2 203 157 18 GLN HB3 H 2.2640 0.02 2 204 157 18 GLN HG2 H 2.5340 0.02 2 205 157 18 GLN HG3 H 2.4190 0.02 2 206 157 18 GLN HE21 H 7.3880 0.02 2 207 157 18 GLN HE22 H 6.8090 0.02 2 208 157 18 GLN C C 180.2810 0.3 1 209 157 18 GLN CA C 59.3000 0.3 1 210 157 18 GLN CB C 28.0420 0.3 1 211 157 18 GLN CG C 34.1690 0.3 1 212 157 18 GLN N N 119.5570 0.2 1 213 157 18 GLN NE2 N 111.2900 0.2 1 214 158 19 GLU H H 7.7750 0.02 1 215 158 19 GLU HA H 4.0930 0.02 1 216 158 19 GLU HB2 H 2.3200 0.02 2 217 158 19 GLU HB3 H 1.9280 0.02 2 218 158 19 GLU HG2 H 2.6160 0.02 2 219 158 19 GLU HG3 H 2.2430 0.02 2 220 158 19 GLU C C 177.7930 0.3 1 221 158 19 GLU CA C 59.2700 0.3 1 222 158 19 GLU CB C 29.2900 0.3 1 223 158 19 GLU CG C 36.7300 0.3 1 224 158 19 GLU N N 120.4470 0.2 1 225 159 20 PHE H H 7.7840 0.02 1 226 159 20 PHE HA H 4.3690 0.02 1 227 159 20 PHE HB2 H 3.0340 0.02 2 228 159 20 PHE HB3 H 3.3710 0.02 2 229 159 20 PHE HD1 H 7.4660 0.02 3 230 159 20 PHE HD2 H 7.4660 0.02 3 231 159 20 PHE HE1 H 7.0770 0.02 3 232 159 20 PHE HE2 H 7.0770 0.02 3 233 159 20 PHE HZ H 7.3500 0.02 1 234 159 20 PHE C C 175.8500 0.3 1 235 159 20 PHE CA C 58.7960 0.3 1 236 159 20 PHE CB C 40.8920 0.3 1 237 159 20 PHE CD1 C 132.2120 0.3 3 238 159 20 PHE CD2 C 132.2120 0.3 3 239 159 20 PHE CE1 C 131.3000 0.3 3 240 159 20 PHE CE2 C 131.3000 0.3 3 241 159 20 PHE CZ C 130.3000 0.3 1 242 159 20 PHE N N 115.4930 0.2 1 243 160 21 GLY H H 8.1640 0.02 1 244 160 21 GLY HA2 H 3.8910 0.02 2 245 160 21 GLY HA3 H 4.0650 0.02 2 246 160 21 GLY C C 174.0390 0.3 1 247 160 21 GLY CA C 46.5410 0.3 1 248 160 21 GLY N N 110.0880 0.2 1 249 161 22 ILE H H 7.6820 0.02 1 250 161 22 ILE HA H 4.4180 0.02 1 251 161 22 ILE HB H 1.5280 0.02 1 252 161 22 ILE HG12 H 1.6750 0.02 2 253 161 22 ILE HG13 H 0.5840 0.02 2 254 161 22 ILE HG2 H 0.7630 0.02 1 255 161 22 ILE HD1 H 0.8610 0.02 1 256 161 22 ILE C C 174.5720 0.3 1 257 161 22 ILE CA C 60.8860 0.3 1 258 161 22 ILE CB C 40.2220 0.3 1 259 161 22 ILE CG1 C 27.5020 0.3 1 260 161 22 ILE CG2 C 18.5940 0.3 1 261 161 22 ILE CD1 C 14.7710 0.3 1 262 161 22 ILE N N 119.8570 0.2 1 263 162 23 THR H H 8.3140 0.02 1 264 162 23 THR HA H 4.5040 0.02 1 265 162 23 THR HB H 4.6090 0.02 1 266 162 23 THR HG2 H 1.1800 0.02 1 267 162 23 THR C C 175.5760 0.3 1 268 162 23 THR CA C 58.8340 0.3 1 269 162 23 THR CB C 71.8020 0.3 1 270 162 23 THR CG2 C 21.5680 0.3 1 271 162 23 THR N N 116.4900 0.2 1 272 163 24 PHE H H 8.8100 0.02 1 273 163 24 PHE HA H 4.3010 0.02 1 274 163 24 PHE HB2 H 2.9370 0.02 2 275 163 24 PHE HB3 H 3.0590 0.02 2 276 163 24 PHE HD1 H 7.1200 0.02 3 277 163 24 PHE HD2 H 7.1200 0.02 3 278 163 24 PHE HE1 H 7.1590 0.02 3 279 163 24 PHE HE2 H 7.1590 0.02 3 280 163 24 PHE HZ H 7.1110 0.02 1 281 163 24 PHE C C 178.2940 0.3 1 282 163 24 PHE CA C 60.3650 0.3 1 283 163 24 PHE CB C 37.2280 0.3 1 284 163 24 PHE CD1 C 130.8000 0.3 3 285 163 24 PHE CD2 C 130.8000 0.3 3 286 163 24 PHE CE1 C 130.4930 0.3 3 287 163 24 PHE CE2 C 130.4930 0.3 3 288 163 24 PHE CZ C 128.9100 0.3 1 289 163 24 PHE N N 118.4600 0.2 1 290 164 25 LEU H H 8.2770 0.02 1 291 164 25 LEU HA H 3.9820 0.02 1 292 164 25 LEU HB2 H 1.6130 0.02 2 293 164 25 LEU HB3 H 1.5520 0.02 2 294 164 25 LEU HG H 1.6540 0.02 1 295 164 25 LEU HD1 H 0.8880 0.02 2 296 164 25 LEU HD2 H 0.8480 0.02 2 297 164 25 LEU C C 178.4420 0.3 1 298 164 25 LEU CA C 58.2880 0.3 1 299 164 25 LEU CB C 41.1630 0.3 1 300 164 25 LEU CG C 27.0500 0.3 1 301 164 25 LEU CD1 C 23.6920 0.3 2 302 164 25 LEU CD2 C 24.6120 0.3 2 303 164 25 LEU N N 119.6180 0.2 1 304 165 26 ASP H H 7.6820 0.02 1 305 165 26 ASP HA H 4.2380 0.02 1 306 165 26 ASP HB2 H 2.3480 0.02 2 307 165 26 ASP HB3 H 3.1530 0.02 2 308 165 26 ASP C C 179.7690 0.3 1 309 165 26 ASP CA C 57.3440 0.3 1 310 165 26 ASP CB C 41.7060 0.3 1 311 165 26 ASP N N 117.3790 0.2 1 312 166 27 LEU H H 7.4680 0.02 1 313 166 27 LEU HA H 3.8270 0.02 1 314 166 27 LEU HB2 H 0.8250 0.02 2 315 166 27 LEU HB3 H 1.5760 0.02 2 316 166 27 LEU HG H 1.5070 0.02 1 317 166 27 LEU HD1 H 0.4560 0.02 2 318 166 27 LEU HD2 H 0.1270 0.02 2 319 166 27 LEU C C 178.3990 0.3 1 320 166 27 LEU CA C 57.8460 0.3 1 321 166 27 LEU CB C 40.7400 0.3 1 322 166 27 LEU CG C 25.3020 0.3 1 323 166 27 LEU CD1 C 22.8230 0.3 2 324 166 27 LEU CD2 C 24.2660 0.3 2 325 166 27 LEU N N 118.8680 0.2 1 326 167 28 VAL H H 7.7900 0.02 1 327 167 28 VAL HA H 3.8680 0.02 1 328 167 28 VAL HB H 2.4190 0.02 1 329 167 28 VAL HG1 H 1.0670 0.02 2 330 167 28 VAL HG2 H 0.9670 0.02 2 331 167 28 VAL C C 179.0880 0.3 1 332 167 28 VAL CA C 65.0880 0.3 1 333 167 28 VAL CB C 31.9190 0.3 1 334 167 28 VAL CG1 C 21.2700 0.3 2 335 167 28 VAL CG2 C 21.8100 0.3 2 336 167 28 VAL N N 118.6550 0.2 1 337 168 29 LEU H H 7.6790 0.02 1 338 168 29 LEU HA H 4.2540 0.02 1 339 168 29 LEU HB2 H 1.8550 0.02 2 340 168 29 LEU HB3 H 1.6640 0.02 2 341 168 29 LEU HG H 1.7940 0.02 1 342 168 29 LEU HD1 H 0.8570 0.02 2 343 168 29 LEU HD2 H 0.9050 0.02 2 344 168 29 LEU C C 177.6540 0.3 1 345 168 29 LEU CA C 56.1300 0.3 1 346 168 29 LEU CB C 42.3200 0.3 1 347 168 29 LEU CG C 26.5900 0.3 1 348 168 29 LEU CD1 C 22.7900 0.3 2 349 168 29 LEU CD2 C 25.3200 0.3 2 350 168 29 LEU N N 116.5330 0.2 1 351 169 30 ASN H H 7.7910 0.02 1 352 169 30 ASN HA H 5.0350 0.02 1 353 169 30 ASN HB2 H 2.6530 0.02 2 354 169 30 ASN HB3 H 2.9150 0.02 2 355 169 30 ASN HD21 H 7.2770 0.02 2 356 169 30 ASN HD22 H 7.9920 0.02 2 357 169 30 ASN C C 174.0450 0.3 1 358 169 30 ASN CA C 53.5440 0.3 1 359 169 30 ASN CB C 41.8300 0.3 1 360 169 30 ASN N N 117.4320 0.2 1 361 169 30 ASN ND2 N 113.0990 0.2 1 362 170 31 VAL H H 7.4330 0.02 1 363 170 31 VAL HA H 3.6790 0.02 1 364 170 31 VAL HB H 2.1940 0.02 1 365 170 31 VAL HG1 H 1.5260 0.02 2 366 170 31 VAL HG2 H 0.9480 0.02 2 367 170 31 VAL C C 174.4790 0.3 1 368 170 31 VAL CA C 60.4480 0.3 1 369 170 31 VAL CB C 33.2920 0.3 1 370 170 31 VAL CG1 C 24.5420 0.3 2 371 170 31 VAL CG2 C 21.3550 0.3 2 372 170 31 VAL N N 121.9450 0.2 1 373 171 32 PRO HA H 4.4250 0.02 1 374 171 32 PRO HB2 H 2.4010 0.02 2 375 171 32 PRO HB3 H 1.6040 0.02 2 376 171 32 PRO HG2 H 2.0000 0.02 2 377 171 32 PRO HG3 H 1.7720 0.02 2 378 171 32 PRO HD2 H 3.2710 0.02 2 379 171 32 PRO HD3 H 2.5420 0.02 2 380 171 32 PRO C C 177.5000 0.3 1 381 171 32 PRO CA C 63.2310 0.3 1 382 171 32 PRO CB C 31.5950 0.3 1 383 171 32 PRO CG C 28.2610 0.3 1 384 171 32 PRO CD C 50.7350 0.3 1 385 172 33 LYS H H 8.6460 0.02 1 386 172 33 LYS HA H 3.9740 0.02 1 387 172 33 LYS HB2 H 1.6780 0.02 2 388 172 33 LYS HB3 H 1.6780 0.02 2 389 172 33 LYS HG2 H 1.4340 0.02 2 390 172 33 LYS HG3 H 1.4340 0.02 2 391 172 33 LYS HD2 H 1.6930 0.02 2 392 172 33 LYS HD3 H 1.6930 0.02 2 393 172 33 LYS HE2 H 3.0050 0.02 2 394 172 33 LYS HE3 H 3.0050 0.02 2 395 172 33 LYS C C 176.7360 0.3 1 396 172 33 LYS CA C 58.5330 0.3 1 397 172 33 LYS CB C 33.0970 0.3 1 398 172 33 LYS CG C 25.0370 0.3 1 399 172 33 LYS CD C 29.2840 0.3 1 400 172 33 LYS CE C 42.0980 0.3 1 401 172 33 LYS N N 124.9270 0.2 1 402 173 34 HIS H H 7.9570 0.02 1 403 173 34 HIS HA H 4.7880 0.02 1 404 173 34 HIS HB2 H 3.3160 0.02 2 405 173 34 HIS HB3 H 3.1360 0.02 2 406 173 34 HIS HD2 H 7.1730 0.02 1 407 173 34 HIS HE1 H 7.9330 0.02 1 408 173 34 HIS C C 176.0720 0.3 1 409 173 34 HIS CA C 55.8790 0.3 1 410 173 34 HIS CB C 32.5940 0.3 1 411 173 34 HIS CD2 C 119.4000 0.3 1 412 173 34 HIS CE1 C 138.4000 0.3 1 413 173 34 HIS N N 117.4190 0.2 1 414 174 35 ARG HA H 4.0080 0.02 1 415 174 35 ARG HB2 H 2.0110 0.02 2 416 174 35 ARG HB3 H 2.0110 0.02 2 417 174 35 ARG HG2 H 1.7420 0.02 2 418 174 35 ARG HG3 H 1.7420 0.02 2 419 174 35 ARG HD2 H 3.2580 0.02 2 420 174 35 ARG HD3 H 3.2580 0.02 2 421 174 35 ARG C C 177.6090 0.3 1 422 174 35 ARG CA C 59.9600 0.3 1 423 174 35 ARG CB C 30.5960 0.3 1 424 174 35 ARG CG C 26.9500 0.3 1 425 174 35 ARG CD C 43.5300 0.3 1 426 175 36 ASP H H 9.4560 0.02 1 427 175 36 ASP HA H 4.4400 0.02 1 428 175 36 ASP HB2 H 2.7430 0.02 2 429 175 36 ASP HB3 H 2.7430 0.02 2 430 175 36 ASP C C 179.9110 0.3 1 431 175 36 ASP CA C 57.5900 0.3 1 432 175 36 ASP CB C 39.2020 0.3 1 433 175 36 ASP N N 118.7790 0.2 1 434 176 37 SER H H 7.6190 0.02 1 435 176 37 SER HA H 4.4260 0.02 1 436 176 37 SER HB2 H 4.0310 0.02 2 437 176 37 SER HB3 H 4.1300 0.02 2 438 176 37 SER C C 176.6960 0.3 1 439 176 37 SER CA C 61.1220 0.3 1 440 176 37 SER CB C 63.2700 0.3 1 441 176 37 SER N N 116.5930 0.2 1 442 177 38 ARG H H 8.6090 0.02 1 443 177 38 ARG HA H 3.9510 0.02 1 444 177 38 ARG HB2 H 2.1380 0.02 2 445 177 38 ARG HB3 H 2.1380 0.02 2 446 177 38 ARG HG2 H 1.7470 0.02 2 447 177 38 ARG HG3 H 1.7470 0.02 2 448 177 38 ARG HD2 H 3.2500 0.02 2 449 177 38 ARG HD3 H 3.2500 0.02 2 450 177 38 ARG HE H 6.6450 0.02 1 451 177 38 ARG C C 178.3450 0.3 1 452 177 38 ARG CA C 61.8950 0.3 1 453 177 38 ARG CB C 30.7370 0.3 1 454 177 38 ARG CG C 27.3020 0.3 1 455 177 38 ARG CD C 43.5850 0.3 1 456 177 38 ARG N N 123.5820 0.2 1 457 177 38 ARG NE N 81.0900 0.2 1 458 178 39 GLN H H 8.9820 0.02 1 459 178 39 GLN HA H 3.9670 0.02 1 460 178 39 GLN HB2 H 2.0380 0.02 2 461 178 39 GLN HB3 H 2.3660 0.02 2 462 178 39 GLN HG2 H 2.6830 0.02 2 463 178 39 GLN HG3 H 1.9320 0.02 2 464 178 39 GLN HE21 H 6.5960 0.02 2 465 178 39 GLN HE22 H 6.3710 0.02 2 466 178 39 GLN C C 178.3480 0.3 1 467 178 39 GLN CA C 60.2490 0.3 1 468 178 39 GLN CB C 28.2210 0.3 1 469 178 39 GLN CG C 35.3020 0.3 1 470 178 39 GLN N N 115.8830 0.2 1 471 178 39 GLN NE2 N 110.3100 0.2 1 472 179 40 LEU H H 7.8750 0.02 1 473 179 40 LEU HA H 4.2760 0.02 1 474 179 40 LEU HB2 H 2.1720 0.02 2 475 179 40 LEU HB3 H 1.8090 0.02 2 476 179 40 LEU HG H 1.6100 0.02 1 477 179 40 LEU HD1 H 1.0730 0.02 2 478 179 40 LEU HD2 H 1.0320 0.02 2 479 179 40 LEU C C 178.6520 0.3 1 480 179 40 LEU CA C 58.4880 0.3 1 481 179 40 LEU CB C 41.4300 0.3 1 482 179 40 LEU CG C 27.5300 0.3 1 483 179 40 LEU CD1 C 26.3110 0.3 2 484 179 40 LEU CD2 C 22.9840 0.3 2 485 179 40 LEU N N 120.4530 0.2 1 486 180 41 CYS H H 8.3310 0.02 1 487 180 41 CYS HA H 4.1110 0.02 1 488 180 41 CYS HB2 H 2.7170 0.02 2 489 180 41 CYS HB3 H 3.6440 0.02 2 490 180 41 CYS C C 176.6470 0.3 1 491 180 41 CYS CA C 65.9200 0.3 1 492 180 41 CYS CB C 27.7760 0.3 1 493 180 41 CYS N N 116.1370 0.2 1 494 181 42 ILE H H 8.4130 0.02 1 495 181 42 ILE HA H 3.7810 0.02 1 496 181 42 ILE HB H 2.0690 0.02 1 497 181 42 ILE HG12 H 2.2560 0.02 2 498 181 42 ILE HG13 H 1.1140 0.02 2 499 181 42 ILE HG2 H 1.1980 0.02 1 500 181 42 ILE HD1 H 1.1030 0.02 1 501 181 42 ILE C C 177.2450 0.3 1 502 181 42 ILE CA C 66.6300 0.3 1 503 181 42 ILE CB C 38.1390 0.3 1 504 181 42 ILE CG1 C 30.3520 0.3 1 505 181 42 ILE CG2 C 19.0900 0.3 1 506 181 42 ILE CD1 C 15.6210 0.3 1 507 181 42 ILE N N 120.2540 0.2 1 508 182 43 ARG H H 8.0470 0.02 1 509 182 43 ARG HA H 3.9730 0.02 1 510 182 43 ARG HB2 H 2.1070 0.02 2 511 182 43 ARG HB3 H 2.1070 0.02 2 512 182 43 ARG HG2 H 1.9560 0.02 2 513 182 43 ARG HG3 H 1.5780 0.02 2 514 182 43 ARG HD2 H 3.2320 0.02 2 515 182 43 ARG HD3 H 3.2320 0.02 2 516 182 43 ARG HE H 7.4060 0.02 1 517 182 43 ARG C C 180.1900 0.3 1 518 182 43 ARG CA C 60.4050 0.3 1 519 182 43 ARG CB C 29.6970 0.3 1 520 182 43 ARG CG C 28.4400 0.3 1 521 182 43 ARG CD C 43.9100 0.3 1 522 182 43 ARG N N 119.3830 0.2 1 523 182 43 ARG NE N 84.9100 0.2 1 524 183 44 LEU H H 8.7790 0.02 1 525 183 44 LEU HA H 4.0340 0.02 1 526 183 44 LEU HB2 H 2.1650 0.02 2 527 183 44 LEU HB3 H 1.2660 0.02 2 528 183 44 LEU HG H 2.0470 0.02 1 529 183 44 LEU HD1 H 0.8360 0.02 2 530 183 44 LEU HD2 H 0.7580 0.02 2 531 183 44 LEU C C 178.0360 0.3 1 532 183 44 LEU CA C 57.8940 0.3 1 533 183 44 LEU CB C 42.2760 0.3 1 534 183 44 LEU CG C 26.5200 0.3 1 535 183 44 LEU CD1 C 26.5200 0.3 2 536 183 44 LEU CD2 C 23.5580 0.3 2 537 183 44 LEU N N 120.1060 0.2 1 538 184 45 ALA H H 8.4470 0.02 1 539 184 45 ALA HA H 3.9000 0.02 1 540 184 45 ALA HB H 1.7470 0.02 1 541 184 45 ALA C C 179.1640 0.3 1 542 184 45 ALA CA C 55.4380 0.3 1 543 184 45 ALA CB C 21.0490 0.3 1 544 184 45 ALA N N 121.4570 0.2 1 545 185 46 LYS H H 8.2210 0.02 1 546 185 46 LYS HA H 3.2530 0.02 1 547 185 46 LYS HB2 H 1.6110 0.02 2 548 185 46 LYS HB3 H 1.0120 0.02 2 549 185 46 LYS HG2 H 0.8400 0.02 2 550 185 46 LYS HG3 H 0.5070 0.02 2 551 185 46 LYS HD2 H 1.0870 0.02 2 552 185 46 LYS HD3 H 1.0410 0.02 2 553 185 46 LYS HE2 H 2.6570 0.02 2 554 185 46 LYS HE3 H 2.6570 0.02 2 555 185 46 LYS C C 177.7800 0.3 1 556 185 46 LYS CA C 59.4140 0.3 1 557 185 46 LYS CB C 32.0440 0.3 1 558 185 46 LYS CG C 24.8240 0.3 1 559 185 46 LYS CD C 28.9400 0.3 1 560 185 46 LYS CE C 41.7500 0.3 1 561 185 46 LYS N N 118.9130 0.2 1 562 186 47 MET H H 7.8050 0.02 1 563 186 47 MET HA H 3.9730 0.02 1 564 186 47 MET HB2 H 1.9790 0.02 2 565 186 47 MET HB3 H 2.2430 0.02 2 566 186 47 MET HG2 H 2.7350 0.02 2 567 186 47 MET HG3 H 2.3810 0.02 2 568 186 47 MET HE H 2.0380 0.02 1 569 186 47 MET C C 179.0340 0.3 1 570 186 47 MET CA C 59.2710 0.3 1 571 186 47 MET CB C 33.4480 0.3 1 572 186 47 MET CG C 32.5410 0.3 1 573 186 47 MET CE C 17.2700 0.3 1 574 186 47 MET N N 117.6080 0.2 1 575 187 48 LEU H H 8.0380 0.02 1 576 187 48 LEU HA H 4.0230 0.02 1 577 187 48 LEU HB2 H 1.8620 0.02 2 578 187 48 LEU HB3 H 1.9300 0.02 2 579 187 48 LEU HG H 2.0340 0.02 1 580 187 48 LEU HD1 H 0.9450 0.02 2 581 187 48 LEU HD2 H 0.9650 0.02 2 582 187 48 LEU C C 175.7930 0.3 1 583 187 48 LEU CA C 58.2450 0.3 1 584 187 48 LEU CB C 42.9890 0.3 1 585 187 48 LEU CG C 27.0800 0.3 1 586 187 48 LEU CD1 C 25.8950 0.3 2 587 187 48 LEU CD2 C 26.1800 0.3 2 588 187 48 LEU N N 119.4030 0.2 1 589 188 49 ALA H H 7.8160 0.02 1 590 188 49 ALA HA H 3.7970 0.02 1 591 188 49 ALA HB H 1.6010 0.02 1 592 188 49 ALA C C 179.6840 0.3 1 593 188 49 ALA CA C 54.5700 0.3 1 594 188 49 ALA CB C 20.0690 0.3 1 595 188 49 ALA N N 115.4050 0.2 1 596 189 50 GLU H H 7.8170 0.02 1 597 189 50 GLU HA H 4.0900 0.02 1 598 189 50 GLU HB2 H 2.0660 0.02 2 599 189 50 GLU HB3 H 1.9100 0.02 2 600 189 50 GLU HG2 H 2.4270 0.02 2 601 189 50 GLU HG3 H 2.1520 0.02 2 602 189 50 GLU C C 175.7420 0.3 1 603 189 50 GLU CA C 56.9020 0.3 1 604 189 50 GLU CB C 30.1820 0.3 1 605 189 50 GLU CG C 36.9300 0.3 1 606 189 50 GLU N N 114.1800 0.2 1 607 190 51 ASP H H 7.3720 0.02 1 608 190 51 ASP HA H 4.8260 0.02 1 609 190 51 ASP HB2 H 2.4710 0.02 2 610 190 51 ASP HB3 H 3.1370 0.02 2 611 190 51 ASP C C 174.4070 0.3 1 612 190 51 ASP CA C 53.1200 0.3 1 613 190 51 ASP CB C 43.3110 0.3 1 614 190 51 ASP N N 122.0570 0.2 1 615 191 52 GLU H H 8.8220 0.02 1 616 191 52 GLU HA H 3.9970 0.02 1 617 191 52 GLU HB2 H 2.0580 0.02 2 618 191 52 GLU HB3 H 2.1420 0.02 2 619 191 52 GLU HG2 H 2.4090 0.02 2 620 191 52 GLU HG3 H 2.4090 0.02 2 621 191 52 GLU C C 178.4660 0.3 1 622 191 52 GLU CA C 59.9580 0.3 1 623 191 52 GLU CB C 30.0190 0.3 1 624 191 52 GLU CG C 35.4440 0.3 1 625 191 52 GLU N N 126.3890 0.2 1 626 192 53 GLN H H 8.0610 0.02 1 627 192 53 GLN HA H 4.2090 0.02 1 628 192 53 GLN HB2 H 2.1980 0.02 2 629 192 53 GLN HB3 H 2.2590 0.02 2 630 192 53 GLN HG2 H 2.4660 0.02 2 631 192 53 GLN HG3 H 2.5440 0.02 2 632 192 53 GLN HE21 H 7.7380 0.02 2 633 192 53 GLN HE22 H 6.9270 0.02 2 634 192 53 GLN C C 180.4050 0.3 1 635 192 53 GLN CA C 59.4730 0.3 1 636 192 53 GLN CB C 28.3260 0.3 1 637 192 53 GLN CG C 34.5230 0.3 1 638 192 53 GLN N N 115.8450 0.2 1 639 192 53 GLN NE2 N 112.9000 0.2 1 640 193 54 MET H H 8.7760 0.02 1 641 193 54 MET HA H 4.2270 0.02 1 642 193 54 MET HB2 H 2.5440 0.02 2 643 193 54 MET HB3 H 2.0070 0.02 2 644 193 54 MET HG2 H 2.8150 0.02 2 645 193 54 MET HG3 H 2.3080 0.02 2 646 193 54 MET HE H 2.0520 0.02 1 647 193 54 MET C C 177.7110 0.3 1 648 193 54 MET CA C 60.6630 0.3 1 649 193 54 MET CB C 35.0780 0.3 1 650 193 54 MET CG C 32.9660 0.3 1 651 193 54 MET CE C 17.5300 0.3 1 652 193 54 MET N N 121.6000 0.2 1 653 194 55 TYR H H 9.2910 0.02 1 654 194 55 TYR HA H 3.9660 0.02 1 655 194 55 TYR HB2 H 3.6830 0.02 2 656 194 55 TYR HB3 H 2.7230 0.02 2 657 194 55 TYR HD1 H 6.8630 0.02 3 658 194 55 TYR HD2 H 6.8630 0.02 3 659 194 55 TYR HE1 H 6.6900 0.02 3 660 194 55 TYR HE2 H 6.6900 0.02 3 661 194 55 TYR C C 177.5770 0.3 1 662 194 55 TYR CA C 62.6140 0.3 1 663 194 55 TYR CB C 37.7690 0.3 1 664 194 55 TYR CD1 C 132.6180 0.3 3 665 194 55 TYR CD2 C 132.6180 0.3 3 666 194 55 TYR CE1 C 118.3290 0.3 3 667 194 55 TYR CE2 C 118.3290 0.3 3 668 194 55 TYR N N 122.2130 0.2 1 669 195 56 ASN H H 8.4620 0.02 1 670 195 56 ASN HA H 4.2190 0.02 1 671 195 56 ASN HB2 H 2.7330 0.02 2 672 195 56 ASN HB3 H 3.0030 0.02 2 673 195 56 ASN HD21 H 7.6670 0.02 2 674 195 56 ASN HD22 H 7.0620 0.02 2 675 195 56 ASN C C 178.3750 0.3 1 676 195 56 ASN CA C 56.2550 0.3 1 677 195 56 ASN CB C 37.9310 0.3 1 678 195 56 ASN N N 116.1850 0.2 1 679 195 56 ASN ND2 N 111.9100 0.2 1 680 196 57 ALA H H 7.6590 0.02 1 681 196 57 ALA HA H 4.1620 0.02 1 682 196 57 ALA HB H 1.5910 0.02 1 683 196 57 ALA C C 179.3370 0.3 1 684 196 57 ALA CA C 55.5810 0.3 1 685 196 57 ALA CB C 17.8710 0.3 1 686 196 57 ALA N N 123.4720 0.2 1 687 197 58 LEU H H 8.2630 0.02 1 688 197 58 LEU HA H 4.6060 0.02 1 689 197 58 LEU HB2 H 2.3790 0.02 2 690 197 58 LEU HB3 H 1.3100 0.02 2 691 197 58 LEU HG H 1.5800 0.02 1 692 197 58 LEU HD1 H 0.8940 0.02 2 693 197 58 LEU HD2 H 0.7700 0.02 2 694 197 58 LEU C C 179.4300 0.3 1 695 197 58 LEU CA C 57.9090 0.3 1 696 197 58 LEU CB C 42.0640 0.3 1 697 197 58 LEU CG C 27.0600 0.3 1 698 197 58 LEU CD1 C 27.3400 0.3 2 699 197 58 LEU CD2 C 25.3000 0.3 2 700 197 58 LEU N N 121.1420 0.2 1 701 198 59 MET H H 7.9290 0.02 1 702 198 59 MET HA H 4.4060 0.02 1 703 198 59 MET HB2 H 1.9110 0.02 2 704 198 59 MET HB3 H 1.9110 0.02 2 705 198 59 MET HG2 H 2.3340 0.02 2 706 198 59 MET HG3 H 2.3340 0.02 2 707 198 59 MET HE H 2.0510 0.02 1 708 198 59 MET C C 178.7470 0.3 1 709 198 59 MET CA C 56.4090 0.3 1 710 198 59 MET CB C 30.5200 0.3 1 711 198 59 MET CG C 32.0400 0.3 1 712 198 59 MET CE C 16.7000 0.3 1 713 198 59 MET N N 114.2080 0.2 1 714 199 60 LYS H H 8.2210 0.02 1 715 199 60 LYS HA H 4.0710 0.02 1 716 199 60 LYS HB2 H 1.8880 0.02 2 717 199 60 LYS HB3 H 1.7680 0.02 2 718 199 60 LYS HG2 H 1.4070 0.02 2 719 199 60 LYS HG3 H 1.4070 0.02 2 720 199 60 LYS HD2 H 1.6990 0.02 2 721 199 60 LYS HD3 H 1.6990 0.02 2 722 199 60 LYS HE2 H 3.0170 0.02 2 723 199 60 LYS HE3 H 3.0170 0.02 2 724 199 60 LYS C C 178.3760 0.3 1 725 199 60 LYS CA C 58.8410 0.3 1 726 199 60 LYS CB C 33.1180 0.3 1 727 199 60 LYS CG C 24.8950 0.3 1 728 199 60 LYS CD C 29.2140 0.3 1 729 199 60 LYS CE C 42.2400 0.3 1 730 199 60 LYS N N 119.5940 0.2 1 731 200 61 ASN H H 8.4420 0.02 1 732 200 61 ASN HA H 4.6850 0.02 1 733 200 61 ASN HB2 H 2.8830 0.02 2 734 200 61 ASN HB3 H 2.8830 0.02 2 735 200 61 ASN HD21 H 7.8190 0.02 2 736 200 61 ASN HD22 H 7.1530 0.02 2 737 200 61 ASN C C 175.1920 0.3 1 738 200 61 ASN CA C 53.6290 0.3 1 739 200 61 ASN CB C 39.1980 0.3 1 740 200 61 ASN N N 113.6750 0.2 1 741 200 61 ASN ND2 N 114.1280 0.2 1 742 201 62 LYS H H 8.1040 0.02 1 743 201 62 LYS HA H 4.0200 0.02 1 744 201 62 LYS HB2 H 1.5050 0.02 2 745 201 62 LYS HB3 H 2.0550 0.02 2 746 201 62 LYS HG2 H 1.0350 0.02 2 747 201 62 LYS HG3 H 0.9240 0.02 2 748 201 62 LYS HD2 H 1.1520 0.02 2 749 201 62 LYS HD3 H 0.5380 0.02 2 750 201 62 LYS HE2 H 2.7160 0.02 2 751 201 62 LYS HE3 H 2.6610 0.02 2 752 201 62 LYS C C 174.8240 0.3 1 753 201 62 LYS CA C 56.1100 0.3 1 754 201 62 LYS CB C 28.1730 0.3 1 755 201 62 LYS CG C 24.2700 0.3 1 756 201 62 LYS CD C 27.9060 0.3 1 757 201 62 LYS CE C 42.7500 0.3 1 758 201 62 LYS N N 115.6070 0.2 1 759 202 63 ASN H H 7.5000 0.02 1 760 202 63 ASN HA H 4.9160 0.02 1 761 202 63 ASN HB2 H 2.6160 0.02 2 762 202 63 ASN HB3 H 2.7190 0.02 2 763 202 63 ASN HD21 H 7.5440 0.02 2 764 202 63 ASN HD22 H 7.0030 0.02 2 765 202 63 ASN C C 174.3270 0.3 1 766 202 63 ASN CA C 52.0700 0.3 1 767 202 63 ASN CB C 42.6180 0.3 1 768 202 63 ASN N N 111.9570 0.2 1 769 202 63 ASN ND2 N 114.0600 0.2 1 770 203 64 ILE H H 9.1210 0.02 1 771 203 64 ILE HA H 3.9330 0.02 1 772 203 64 ILE HB H 1.8520 0.02 1 773 203 64 ILE HG12 H 1.8280 0.02 2 774 203 64 ILE HG13 H 0.8270 0.02 2 775 203 64 ILE HG2 H 0.7820 0.02 1 776 203 64 ILE HD1 H 0.9760 0.02 1 777 203 64 ILE C C 175.0590 0.3 1 778 203 64 ILE CA C 60.7540 0.3 1 779 203 64 ILE CB C 39.6980 0.3 1 780 203 64 ILE CG1 C 29.3810 0.3 1 781 203 64 ILE CG2 C 16.3560 0.3 1 782 203 64 ILE CD1 C 14.4900 0.3 1 783 203 64 ILE N N 124.2350 0.2 1 784 204 65 PRO HA H 4.9610 0.02 1 785 204 65 PRO HB2 H 2.4920 0.02 2 786 204 65 PRO HB3 H 2.0090 0.02 2 787 204 65 PRO HG2 H 2.3730 0.02 2 788 204 65 PRO HG3 H 2.2230 0.02 2 789 204 65 PRO HD2 H 3.7000 0.02 2 790 204 65 PRO HD3 H 3.6180 0.02 2 791 204 65 PRO C C 174.5060 0.3 1 792 204 65 PRO CA C 61.6630 0.3 1 793 204 65 PRO CB C 28.2230 0.3 1 794 204 65 PRO CG C 27.9950 0.3 1 795 204 65 PRO CD C 51.1600 0.3 1 796 205 66 ARG H H 8.0540 0.02 1 797 205 66 ARG HA H 3.6670 0.02 1 798 205 66 ARG HB2 H 1.9380 0.02 2 799 205 66 ARG HB3 H 1.8700 0.02 2 800 205 66 ARG HG2 H 1.5400 0.02 2 801 205 66 ARG HG3 H 1.7500 0.02 2 802 205 66 ARG HD2 H 3.2770 0.02 2 803 205 66 ARG HD3 H 3.2770 0.02 2 804 205 66 ARG C C 177.0150 0.3 1 805 205 66 ARG CA C 60.8180 0.3 1 806 205 66 ARG CB C 31.1330 0.3 1 807 205 66 ARG CG C 27.1610 0.3 1 808 205 66 ARG CD C 43.7970 0.3 1 809 205 66 ARG N N 127.6580 0.2 1 810 206 67 ASN H H 8.8310 0.02 1 811 206 67 ASN HA H 4.3910 0.02 1 812 206 67 ASN HB2 H 2.8630 0.02 2 813 206 67 ASN HB3 H 2.7690 0.02 2 814 206 67 ASN HD21 H 7.7250 0.02 2 815 206 67 ASN HD22 H 7.0580 0.02 2 816 206 67 ASN C C 177.6760 0.3 1 817 206 67 ASN CA C 56.8010 0.3 1 818 206 67 ASN CB C 37.4500 0.3 1 819 206 67 ASN N N 117.6210 0.2 1 820 206 67 ASN ND2 N 113.3100 0.2 1 821 207 68 GLU H H 8.5570 0.02 1 822 207 68 GLU HA H 4.0500 0.02 1 823 207 68 GLU HB2 H 2.0150 0.02 2 824 207 68 GLU HB3 H 2.0150 0.02 2 825 207 68 GLU HG2 H 2.4870 0.02 2 826 207 68 GLU HG3 H 2.3250 0.02 2 827 207 68 GLU C C 178.8280 0.3 1 828 207 68 GLU CA C 59.7970 0.3 1 829 207 68 GLU CB C 29.3350 0.3 1 830 207 68 GLU CG C 36.8590 0.3 1 831 207 68 GLU N N 121.0430 0.2 1 832 208 69 LEU H H 8.2650 0.02 1 833 208 69 LEU HA H 4.0370 0.02 1 834 208 69 LEU HB2 H 1.7280 0.02 2 835 208 69 LEU HB3 H 1.5350 0.02 2 836 208 69 LEU HG H 2.0410 0.02 1 837 208 69 LEU HD1 H 0.7610 0.02 2 838 208 69 LEU HD2 H 0.8370 0.02 2 839 208 69 LEU C C 177.9330 0.3 1 840 208 69 LEU CA C 58.0260 0.3 1 841 208 69 LEU CB C 42.1220 0.3 1 842 208 69 LEU CG C 26.5500 0.3 1 843 208 69 LEU CD1 C 23.4600 0.3 2 844 208 69 LEU CD2 C 26.5500 0.3 2 845 208 69 LEU N N 121.1520 0.2 1 846 209 70 LYS H H 8.5620 0.02 1 847 209 70 LYS HA H 3.9090 0.02 1 848 209 70 LYS HB2 H 1.7940 0.02 2 849 209 70 LYS HB3 H 2.0770 0.02 2 850 209 70 LYS HG2 H 1.6450 0.02 2 851 209 70 LYS HG3 H 1.6450 0.02 2 852 209 70 LYS HD2 H 1.6450 0.02 2 853 209 70 LYS HD3 H 1.6450 0.02 2 854 209 70 LYS HE2 H 3.0100 0.02 2 855 209 70 LYS HE3 H 3.0100 0.02 2 856 209 70 LYS C C 178.5990 0.3 1 857 209 70 LYS CA C 59.9330 0.3 1 858 209 70 LYS CB C 31.6200 0.3 1 859 209 70 LYS CG C 25.0450 0.3 1 860 209 70 LYS CD C 29.7460 0.3 1 861 209 70 LYS CE C 42.1300 0.3 1 862 209 70 LYS N N 118.3790 0.2 1 863 210 71 LYS H H 7.3620 0.02 1 864 210 71 LYS HA H 4.1250 0.02 1 865 210 71 LYS HB2 H 1.9340 0.02 2 866 210 71 LYS HB3 H 1.9340 0.02 2 867 210 71 LYS HG2 H 1.5920 0.02 2 868 210 71 LYS HG3 H 1.5920 0.02 2 869 210 71 LYS HD2 H 1.7170 0.02 2 870 210 71 LYS HD3 H 1.7170 0.02 2 871 210 71 LYS HE2 H 3.0110 0.02 2 872 210 71 LYS HE3 H 3.0110 0.02 2 873 210 71 LYS C C 178.7240 0.3 1 874 210 71 LYS CA C 58.9820 0.3 1 875 210 71 LYS CB C 32.7090 0.3 1 876 210 71 LYS CG C 24.9660 0.3 1 877 210 71 LYS CD C 29.1430 0.3 1 878 210 71 LYS CE C 42.1690 0.3 1 879 210 71 LYS N N 118.6640 0.2 1 880 211 72 LYS H H 7.8680 0.02 1 881 211 72 LYS HA H 4.0800 0.02 1 882 211 72 LYS HB2 H 1.8920 0.02 2 883 211 72 LYS HB3 H 1.8920 0.02 2 884 211 72 LYS HG2 H 1.3910 0.02 2 885 211 72 LYS HG3 H 1.3910 0.02 2 886 211 72 LYS HD2 H 1.6990 0.02 2 887 211 72 LYS HD3 H 1.6990 0.02 2 888 211 72 LYS HE2 H 3.0230 0.02 2 889 211 72 LYS HE3 H 3.0230 0.02 2 890 211 72 LYS C C 177.9020 0.3 1 891 211 72 LYS CA C 59.1470 0.3 1 892 211 72 LYS CB C 33.3170 0.3 1 893 211 72 LYS CG C 24.9660 0.3 1 894 211 72 LYS CD C 29.2140 0.3 1 895 211 72 LYS CE C 42.2400 0.3 1 896 211 72 LYS N N 119.0400 0.2 1 897 212 73 ALA H H 8.4570 0.02 1 898 212 73 ALA HA H 4.1790 0.02 1 899 212 73 ALA HB H 1.3930 0.02 1 900 212 73 ALA C C 176.3340 0.3 1 901 212 73 ALA CA C 52.4440 0.3 1 902 212 73 ALA CB C 20.7730 0.3 1 903 212 73 ALA N N 117.8930 0.2 1 904 213 74 LYS H H 7.7990 0.02 1 905 213 74 LYS HA H 3.9670 0.02 1 906 213 74 LYS HB2 H 1.8440 0.02 2 907 213 74 LYS HB3 H 2.1100 0.02 2 908 213 74 LYS HG2 H 1.3640 0.02 2 909 213 74 LYS HG3 H 1.3640 0.02 2 910 213 74 LYS HD2 H 1.4130 0.02 2 911 213 74 LYS HD3 H 1.4130 0.02 2 912 213 74 LYS HE2 H 3.0110 0.02 2 913 213 74 LYS HE3 H 3.0110 0.02 2 914 213 74 LYS C C 175.7940 0.3 1 915 213 74 LYS CA C 57.3560 0.3 1 916 213 74 LYS CB C 29.0950 0.3 1 917 213 74 LYS CG C 24.6830 0.3 1 918 213 74 LYS CD C 24.8950 0.3 1 919 213 74 LYS CE C 42.0270 0.3 1 920 213 74 LYS N N 115.8680 0.2 1 921 214 75 VAL H H 7.3410 0.02 1 922 214 75 VAL HA H 4.6330 0.02 1 923 214 75 VAL HB H 2.2800 0.02 1 924 214 75 VAL HG1 H 0.8430 0.02 2 925 214 75 VAL HG2 H 0.9600 0.02 2 926 214 75 VAL C C 175.1110 0.3 1 927 214 75 VAL CA C 59.1900 0.3 1 928 214 75 VAL CB C 34.8040 0.3 1 929 214 75 VAL CG1 C 19.7270 0.3 2 930 214 75 VAL CG2 C 21.6800 0.3 2 931 214 75 VAL N N 111.4770 0.2 1 932 215 76 HIS H H 8.4470 0.02 1 933 215 76 HIS HA H 4.5900 0.02 1 934 215 76 HIS HB2 H 3.2470 0.02 2 935 215 76 HIS HB3 H 3.1660 0.02 2 936 215 76 HIS HD2 H 7.1690 0.02 1 937 215 76 HIS C C 177.4220 0.3 1 938 215 76 HIS CA C 56.2000 0.3 1 939 215 76 HIS CB C 31.3930 0.3 1 940 215 76 HIS CD2 C 119.3000 0.3 1 941 215 76 HIS N N 121.4660 0.2 1 942 217 78 ARG HA H 4.3640 0.02 1 943 217 78 ARG HB2 H 1.9680 0.02 2 944 217 78 ARG HB3 H 1.8970 0.02 2 945 217 78 ARG HG2 H 1.6630 0.02 2 946 217 78 ARG HG3 H 1.6630 0.02 2 947 217 78 ARG HD2 H 3.2170 0.02 2 948 217 78 ARG HD3 H 3.1750 0.02 2 949 217 78 ARG C C 177.3840 0.3 1 950 217 78 ARG CA C 58.6080 0.3 1 951 217 78 ARG CB C 29.6930 0.3 1 952 217 78 ARG CG C 26.9620 0.3 1 953 217 78 ARG CD C 43.4700 0.3 1 954 218 79 THR H H 7.6810 0.02 1 955 218 79 THR HA H 3.9020 0.02 1 956 218 79 THR HB H 4.1550 0.02 1 957 218 79 THR HG2 H 1.2500 0.02 1 958 218 79 THR C C 175.8870 0.3 1 959 218 79 THR CA C 66.2980 0.3 1 960 218 79 THR CB C 69.0750 0.3 1 961 218 79 THR CG2 C 22.2760 0.3 1 962 218 79 THR N N 116.2670 0.2 1 963 219 80 ILE H H 7.4180 0.02 1 964 219 80 ILE HA H 3.5600 0.02 1 965 219 80 ILE HB H 1.8970 0.02 1 966 219 80 ILE HG12 H 0.8230 0.02 2 967 219 80 ILE HG13 H 1.7050 0.02 2 968 219 80 ILE HG2 H 0.8940 0.02 1 969 219 80 ILE HD1 H 0.8580 0.02 1 970 219 80 ILE C C 177.0740 0.3 1 971 219 80 ILE CA C 64.6000 0.3 1 972 219 80 ILE CB C 38.3500 0.3 1 973 219 80 ILE CG1 C 29.6380 0.3 1 974 219 80 ILE CG2 C 18.5940 0.3 1 975 219 80 ILE CD1 C 14.8420 0.3 1 976 219 80 ILE N N 119.0870 0.2 1 977 220 81 GLY H H 8.0790 0.02 1 978 220 81 GLY HA2 H 3.8770 0.02 2 979 220 81 GLY HA3 H 4.0090 0.02 2 980 220 81 GLY C C 177.1890 0.3 1 981 220 81 GLY CA C 47.5230 0.3 1 982 220 81 GLY N N 103.6990 0.2 1 983 221 82 ASN H H 8.5650 0.02 1 984 221 82 ASN HA H 4.6070 0.02 1 985 221 82 ASN HB2 H 2.8750 0.02 2 986 221 82 ASN HB3 H 2.8750 0.02 2 987 221 82 ASN HD21 H 7.6140 0.02 2 988 221 82 ASN HD22 H 6.9350 0.02 2 989 221 82 ASN C C 176.4520 0.3 1 990 221 82 ASN CA C 55.0870 0.3 1 991 221 82 ASN CB C 38.5040 0.3 1 992 221 82 ASN N N 118.1320 0.2 1 993 221 82 ASN ND2 N 111.0300 0.2 1 994 222 83 ASN H H 7.3590 0.02 1 995 222 83 ASN HA H 5.5780 0.02 1 996 222 83 ASN HB2 H 3.2670 0.02 2 997 222 83 ASN HB3 H 2.7120 0.02 2 998 222 83 ASN HD21 H 7.8950 0.02 2 999 222 83 ASN HD22 H 7.1460 0.02 2 1000 222 83 ASN C C 174.9880 0.3 1 1001 222 83 ASN CA C 53.0790 0.3 1 1002 222 83 ASN CB C 41.2640 0.3 1 1003 222 83 ASN N N 115.5690 0.2 1 1004 222 83 ASN ND2 N 114.9600 0.2 1 1005 223 84 ARG H H 7.0440 0.02 1 1006 223 84 ARG HA H 3.9440 0.02 1 1007 223 84 ARG HB2 H 2.1220 0.02 2 1008 223 84 ARG HB3 H 2.0100 0.02 2 1009 223 84 ARG HG2 H 1.6590 0.02 2 1010 223 84 ARG HG3 H 1.6870 0.02 2 1011 223 84 ARG HD2 H 3.4500 0.02 2 1012 223 84 ARG HD3 H 3.5220 0.02 2 1013 223 84 ARG C C 176.8160 0.3 1 1014 223 84 ARG CA C 60.6450 0.3 1 1015 223 84 ARG CB C 30.9190 0.3 1 1016 223 84 ARG CG C 27.1610 0.3 1 1017 223 84 ARG CD C 43.6560 0.3 1 1018 223 84 ARG N N 119.1820 0.2 1 1019 224 85 LYS H H 8.1660 0.02 1 1020 224 85 LYS HA H 3.8450 0.02 1 1021 224 85 LYS HB2 H 2.1490 0.02 2 1022 224 85 LYS HB3 H 1.5300 0.02 2 1023 224 85 LYS HG2 H 1.1290 0.02 2 1024 224 85 LYS HG3 H 1.1290 0.02 2 1025 224 85 LYS HD2 H 1.4800 0.02 2 1026 224 85 LYS HD3 H 1.4800 0.02 2 1027 224 85 LYS HE2 H 3.0170 0.02 2 1028 224 85 LYS HE3 H 3.0170 0.02 2 1029 224 85 LYS C C 176.8930 0.3 1 1030 224 85 LYS CA C 61.2120 0.3 1 1031 224 85 LYS CB C 32.4900 0.3 1 1032 224 85 LYS CG C 27.1900 0.3 1 1033 224 85 LYS CD C 27.9000 0.3 1 1034 224 85 LYS CE C 42.1690 0.3 1 1035 224 85 LYS N N 116.6330 0.2 1 1036 225 86 TYR H H 8.1410 0.02 1 1037 225 86 TYR HA H 4.0800 0.02 1 1038 225 86 TYR HB2 H 3.3270 0.02 2 1039 225 86 TYR HB3 H 3.0580 0.02 2 1040 225 86 TYR HD1 H 7.0560 0.02 3 1041 225 86 TYR HD2 H 7.0560 0.02 3 1042 225 86 TYR HE1 H 6.8700 0.02 3 1043 225 86 TYR HE2 H 6.8700 0.02 3 1044 225 86 TYR C C 176.4380 0.3 1 1045 225 86 TYR CA C 61.5300 0.3 1 1046 225 86 TYR CB C 40.0480 0.3 1 1047 225 86 TYR CD1 C 132.8700 0.3 3 1048 225 86 TYR CD2 C 132.8700 0.3 3 1049 225 86 TYR CE1 C 118.3200 0.3 3 1050 225 86 TYR CE2 C 118.3200 0.3 3 1051 225 86 TYR N N 119.1850 0.2 1 1052 226 87 ILE H H 8.3490 0.02 1 1053 226 87 ILE HA H 3.4320 0.02 1 1054 226 87 ILE HB H 1.7910 0.02 1 1055 226 87 ILE HG12 H 1.1030 0.02 2 1056 226 87 ILE HG13 H 2.1010 0.02 2 1057 226 87 ILE HG2 H 0.7210 0.02 1 1058 226 87 ILE HD1 H 1.0460 0.02 1 1059 226 87 ILE C C 177.6690 0.3 1 1060 226 87 ILE CA C 66.4380 0.3 1 1061 226 87 ILE CB C 38.2760 0.3 1 1062 226 87 ILE CG1 C 30.4880 0.3 1 1063 226 87 ILE CG2 C 17.0370 0.3 1 1064 226 87 ILE CD1 C 15.5200 0.3 1 1065 226 87 ILE N N 115.8090 0.2 1 1066 227 88 ILE H H 8.2570 0.02 1 1067 227 88 ILE HA H 3.1300 0.02 1 1068 227 88 ILE HB H 1.5580 0.02 1 1069 227 88 ILE HG12 H 2.0300 0.02 2 1070 227 88 ILE HG13 H 0.5240 0.02 2 1071 227 88 ILE HG2 H -0.0690 0.02 1 1072 227 88 ILE HD1 H 0.7980 0.02 1 1073 227 88 ILE C C 176.9830 0.3 1 1074 227 88 ILE CA C 67.2120 0.3 1 1075 227 88 ILE CB C 37.5510 0.3 1 1076 227 88 ILE CG1 C 30.0060 0.3 1 1077 227 88 ILE CG2 C 15.8330 0.3 1 1078 227 88 ILE CD1 C 13.8510 0.3 1 1079 227 88 ILE N N 118.8270 0.2 1 1080 228 89 ALA H H 8.0020 0.02 1 1081 228 89 ALA HA H 3.7560 0.02 1 1082 228 89 ALA HB H 1.3100 0.02 1 1083 228 89 ALA C C 178.7760 0.3 1 1084 228 89 ALA CA C 55.8060 0.3 1 1085 228 89 ALA CB C 20.2630 0.3 1 1086 228 89 ALA N N 119.0710 0.2 1 1087 229 90 LEU H H 8.0220 0.02 1 1088 229 90 LEU HA H 3.7180 0.02 1 1089 229 90 LEU HB2 H 1.6880 0.02 2 1090 229 90 LEU HB3 H 1.0640 0.02 2 1091 229 90 LEU HG H 1.4710 0.02 1 1092 229 90 LEU HD1 H 0.5650 0.02 2 1093 229 90 LEU HD2 H 0.3890 0.02 2 1094 229 90 LEU C C 178.0160 0.3 1 1095 229 90 LEU CA C 57.9150 0.3 1 1096 229 90 LEU CB C 41.2520 0.3 1 1097 229 90 LEU CG C 27.1890 0.3 1 1098 229 90 LEU CD1 C 23.7100 0.3 2 1099 229 90 LEU CD2 C 26.5600 0.3 2 1100 229 90 LEU N N 114.7380 0.2 1 1101 230 91 CYS H H 8.5440 0.02 1 1102 230 91 CYS HA H 4.1120 0.02 1 1103 230 91 CYS HB2 H 3.0470 0.02 2 1104 230 91 CYS HB3 H 3.3040 0.02 2 1105 230 91 CYS C C 175.8170 0.3 1 1106 230 91 CYS CA C 62.7030 0.3 1 1107 230 91 CYS CB C 26.0810 0.3 1 1108 230 91 CYS N N 121.4520 0.2 1 1109 231 92 LEU H H 8.0470 0.02 1 1110 231 92 LEU HA H 4.0340 0.02 1 1111 231 92 LEU HB2 H 1.9420 0.02 2 1112 231 92 LEU HB3 H 1.3690 0.02 2 1113 231 92 LEU HG H 1.8980 0.02 1 1114 231 92 LEU HD1 H 0.9030 0.02 2 1115 231 92 LEU HD2 H 0.6330 0.02 2 1116 231 92 LEU C C 180.8900 0.3 1 1117 231 92 LEU CA C 58.1750 0.3 1 1118 231 92 LEU CB C 40.6760 0.3 1 1119 231 92 LEU CG C 26.6470 0.3 1 1120 231 92 LEU CD1 C 22.6300 0.3 2 1121 231 92 LEU CD2 C 25.6030 0.3 2 1122 231 92 LEU N N 116.8900 0.2 1 1123 232 93 ILE H H 8.1380 0.02 1 1124 232 93 ILE HA H 3.6320 0.02 1 1125 232 93 ILE HB H 1.8130 0.02 1 1126 232 93 ILE HG12 H 1.0370 0.02 2 1127 232 93 ILE HG13 H 2.0420 0.02 2 1128 232 93 ILE HG2 H 0.4760 0.02 1 1129 232 93 ILE HD1 H 0.8940 0.02 1 1130 232 93 ILE C C 180.1680 0.3 1 1131 232 93 ILE CA C 66.0730 0.3 1 1132 232 93 ILE CB C 37.5350 0.3 1 1133 232 93 ILE CG1 C 30.1340 0.3 1 1134 232 93 ILE CG2 C 16.8950 0.3 1 1135 232 93 ILE CD1 C 13.7800 0.3 1 1136 232 93 ILE N N 120.9610 0.2 1 1137 233 94 PHE H H 8.7350 0.02 1 1138 233 94 PHE HA H 4.2630 0.02 1 1139 233 94 PHE HB2 H 3.0110 0.02 2 1140 233 94 PHE HB3 H 3.1560 0.02 2 1141 233 94 PHE HD1 H 7.1610 0.02 3 1142 233 94 PHE HD2 H 7.1610 0.02 3 1143 233 94 PHE HE1 H 7.3770 0.02 3 1144 233 94 PHE HE2 H 7.3770 0.02 3 1145 233 94 PHE HZ H 6.9780 0.02 1 1146 233 94 PHE C C 177.7690 0.3 1 1147 233 94 PHE CA C 63.3850 0.3 1 1148 233 94 PHE CB C 38.3280 0.3 1 1149 233 94 PHE CD1 C 131.1650 0.3 3 1150 233 94 PHE CD2 C 131.1650 0.3 3 1151 233 94 PHE CE1 C 130.9900 0.3 3 1152 233 94 PHE CE2 C 130.9900 0.3 3 1153 233 94 PHE CZ C 129.6200 0.3 1 1154 233 94 PHE N N 121.0990 0.2 1 1155 234 95 ARG H H 7.7930 0.02 1 1156 234 95 ARG HA H 4.3730 0.02 1 1157 234 95 ARG HB2 H 1.6930 0.02 2 1158 234 95 ARG HB3 H 1.9640 0.02 2 1159 234 95 ARG HG2 H 1.4190 0.02 2 1160 234 95 ARG HG3 H 1.3170 0.02 2 1161 234 95 ARG HD2 H 2.6120 0.02 2 1162 234 95 ARG HD3 H 2.6120 0.02 2 1163 234 95 ARG HE H 6.6510 0.02 1 1164 234 95 ARG C C 175.4400 0.3 1 1165 234 95 ARG CA C 55.4750 0.3 1 1166 234 95 ARG CB C 29.7000 0.3 1 1167 234 95 ARG CG C 26.4600 0.3 1 1168 234 95 ARG CD C 42.3810 0.3 1 1169 234 95 ARG N N 119.1110 0.2 1 1170 234 95 ARG NE N 83.7600 0.2 1 1171 235 96 SER H H 7.5680 0.02 1 1172 235 96 SER HA H 4.6670 0.02 1 1173 235 96 SER HB2 H 4.3070 0.02 2 1174 235 96 SER HB3 H 4.2490 0.02 2 1175 235 96 SER C C 172.8320 0.3 1 1176 235 96 SER CA C 59.0860 0.3 1 1177 235 96 SER CB C 65.4390 0.3 1 1178 235 96 SER N N 117.6840 0.2 1 1179 236 97 ASN H H 8.6600 0.02 1 1180 236 97 ASN HA H 5.0510 0.02 1 1181 236 97 ASN HB2 H 2.6420 0.02 2 1182 236 97 ASN HB3 H 3.1480 0.02 2 1183 236 97 ASN HD21 H 7.9490 0.02 2 1184 236 97 ASN HD22 H 6.9490 0.02 2 1185 236 97 ASN C C 175.5970 0.3 1 1186 236 97 ASN CA C 52.5250 0.3 1 1187 236 97 ASN CB C 38.3220 0.3 1 1188 236 97 ASN N N 115.6710 0.2 1 1189 236 97 ASN ND2 N 114.5700 0.2 1 1190 237 98 LEU H H 8.5910 0.02 1 1191 237 98 LEU HA H 4.5530 0.02 1 1192 237 98 LEU HB2 H 1.8060 0.02 2 1193 237 98 LEU HB3 H 1.5400 0.02 2 1194 237 98 LEU HG H 1.4400 0.02 1 1195 237 98 LEU HD1 H 0.6890 0.02 2 1196 237 98 LEU HD2 H 1.0010 0.02 2 1197 237 98 LEU C C 176.4870 0.3 1 1198 237 98 LEU CA C 53.9890 0.3 1 1199 237 98 LEU CB C 38.2940 0.3 1 1200 237 98 LEU CG C 26.9500 0.3 1 1201 237 98 LEU CD1 C 25.8860 0.3 2 1202 237 98 LEU CD2 C 27.0900 0.3 2 1203 237 98 LEU N N 122.6420 0.2 1 1204 238 99 ASN H H 7.9630 0.02 1 1205 238 99 ASN HA H 4.2380 0.02 1 1206 238 99 ASN HB2 H 2.7320 0.02 2 1207 238 99 ASN HB3 H 2.8230 0.02 2 1208 238 99 ASN HD21 H 7.8010 0.02 2 1209 238 99 ASN HD22 H 7.1180 0.02 2 1210 238 99 ASN C C 178.1800 0.3 1 1211 238 99 ASN CA C 56.8880 0.3 1 1212 238 99 ASN CB C 39.0410 0.3 1 1213 238 99 ASN N N 121.5060 0.2 1 1214 238 99 ASN ND2 N 114.6800 0.2 1 1215 239 100 LEU H H 9.0960 0.02 1 1216 239 100 LEU HA H 3.9860 0.02 1 1217 239 100 LEU HB2 H 1.3680 0.02 2 1218 239 100 LEU HB3 H 1.2810 0.02 2 1219 239 100 LEU HG H 1.3270 0.02 1 1220 239 100 LEU HD1 H 0.7970 0.02 2 1221 239 100 LEU HD2 H 0.6250 0.02 2 1222 239 100 LEU C C 177.9560 0.3 1 1223 239 100 LEU CA C 58.3120 0.3 1 1224 239 100 LEU CB C 40.9780 0.3 1 1225 239 100 LEU CG C 26.8300 0.3 1 1226 239 100 LEU CD1 C 23.6800 0.3 2 1227 239 100 LEU CD2 C 24.7500 0.3 2 1228 239 100 LEU N N 125.7120 0.2 1 1229 240 101 SER H H 9.2690 0.02 1 1230 240 101 SER HA H 4.7920 0.02 1 1231 240 101 SER HB2 H 4.1090 0.02 2 1232 240 101 SER HB3 H 4.1090 0.02 2 1233 240 101 SER C C 175.9720 0.3 1 1234 240 101 SER CA C 61.1540 0.3 1 1235 240 101 SER CB C 62.5010 0.3 1 1236 240 101 SER N N 119.1040 0.2 1 1237 241 102 LYS H H 8.1430 0.02 1 1238 241 102 LYS HA H 3.4510 0.02 1 1239 241 102 LYS HB2 H 1.7470 0.02 2 1240 241 102 LYS HB3 H 2.0020 0.02 2 1241 241 102 LYS HG2 H 1.6060 0.02 2 1242 241 102 LYS HG3 H 1.5340 0.02 2 1243 241 102 LYS HD2 H 1.6990 0.02 2 1244 241 102 LYS HD3 H 1.6990 0.02 2 1245 241 102 LYS HE2 H 3.0170 0.02 2 1246 241 102 LYS HE3 H 3.0170 0.02 2 1247 241 102 LYS C C 178.0850 0.3 1 1248 241 102 LYS CA C 60.8650 0.3 1 1249 241 102 LYS CB C 32.3680 0.3 1 1250 241 102 LYS CG C 27.1400 0.3 1 1251 241 102 LYS CD C 29.2840 0.3 1 1252 241 102 LYS CE C 42.1690 0.3 1 1253 241 102 LYS N N 118.8830 0.2 1 1254 242 103 ARG H H 7.5910 0.02 1 1255 242 103 ARG HA H 4.0690 0.02 1 1256 242 103 ARG HB2 H 2.0320 0.02 2 1257 242 103 ARG HB3 H 2.0320 0.02 2 1258 242 103 ARG HG2 H 1.4960 0.02 2 1259 242 103 ARG HG3 H 1.7210 0.02 2 1260 242 103 ARG HD2 H 3.2320 0.02 2 1261 242 103 ARG HD3 H 3.2320 0.02 2 1262 242 103 ARG HE H 7.1930 0.02 1 1263 242 103 ARG C C 179.2090 0.3 1 1264 242 103 ARG CA C 59.8490 0.3 1 1265 242 103 ARG CB C 29.7610 0.3 1 1266 242 103 ARG CG C 27.3020 0.3 1 1267 242 103 ARG CD C 44.1510 0.3 1 1268 242 103 ARG N N 119.5850 0.2 1 1269 242 103 ARG NE N 84.2300 0.2 1 1270 243 104 TYR H H 8.4150 0.02 1 1271 243 104 TYR HA H 4.3210 0.02 1 1272 243 104 TYR HB2 H 3.6480 0.02 2 1273 243 104 TYR HB3 H 2.7320 0.02 2 1274 243 104 TYR HD1 H 6.7570 0.02 3 1275 243 104 TYR HD2 H 6.7570 0.02 3 1276 243 104 TYR HE1 H 6.5930 0.02 3 1277 243 104 TYR HE2 H 6.5930 0.02 3 1278 243 104 TYR C C 180.0300 0.3 1 1279 243 104 TYR CA C 59.6150 0.3 1 1280 243 104 TYR CB C 37.4900 0.3 1 1281 243 104 TYR CD1 C 130.7730 0.3 3 1282 243 104 TYR CD2 C 130.7730 0.3 3 1283 243 104 TYR CE1 C 117.5510 0.3 3 1284 243 104 TYR CE2 C 117.5510 0.3 3 1285 243 104 TYR N N 119.8350 0.2 1 1286 244 105 LEU H H 7.7130 0.02 1 1287 244 105 LEU HA H 4.0720 0.02 1 1288 244 105 LEU HB2 H 2.0190 0.02 2 1289 244 105 LEU HB3 H 1.4750 0.02 2 1290 244 105 LEU HG H 2.0100 0.02 1 1291 244 105 LEU HD1 H 0.3320 0.02 2 1292 244 105 LEU HD2 H 0.7280 0.02 2 1293 244 105 LEU C C 179.1250 0.3 1 1294 244 105 LEU CA C 58.0990 0.3 1 1295 244 105 LEU CB C 42.0320 0.3 1 1296 244 105 LEU CG C 26.4340 0.3 1 1297 244 105 LEU CD1 C 26.1660 0.3 2 1298 244 105 LEU CD2 C 21.6000 0.3 2 1299 244 105 LEU N N 117.9310 0.2 1 1300 245 106 GLU H H 8.8480 0.02 1 1301 245 106 GLU HA H 4.1500 0.02 1 1302 245 106 GLU HB2 H 2.1680 0.02 2 1303 245 106 GLU HB3 H 2.0440 0.02 2 1304 245 106 GLU HG2 H 2.5400 0.02 2 1305 245 106 GLU HG3 H 2.3390 0.02 2 1306 245 106 GLU C C 179.8530 0.3 1 1307 245 106 GLU CA C 59.3820 0.3 1 1308 245 106 GLU CB C 29.6900 0.3 1 1309 245 106 GLU CG C 36.6100 0.3 1 1310 245 106 GLU N N 119.1310 0.2 1 1311 246 107 TYR H H 8.7810 0.02 1 1312 246 107 TYR HA H 4.4020 0.02 1 1313 246 107 TYR HB2 H 3.2760 0.02 2 1314 246 107 TYR HB3 H 3.1140 0.02 2 1315 246 107 TYR HD1 H 7.1430 0.02 3 1316 246 107 TYR HD2 H 7.1430 0.02 3 1317 246 107 TYR HE1 H 6.7700 0.02 3 1318 246 107 TYR HE2 H 6.7700 0.02 3 1319 246 107 TYR C C 178.5330 0.3 1 1320 246 107 TYR CA C 60.6110 0.3 1 1321 246 107 TYR CB C 37.2550 0.3 1 1322 246 107 TYR CD1 C 132.6920 0.3 3 1323 246 107 TYR CD2 C 132.6920 0.3 3 1324 246 107 TYR CE1 C 118.1100 0.3 3 1325 246 107 TYR CE2 C 118.1100 0.3 3 1326 246 107 TYR N N 119.9920 0.2 1 1327 247 108 TYR H H 7.9840 0.02 1 1328 247 108 TYR HA H 4.4310 0.02 1 1329 247 108 TYR HB2 H 3.5130 0.02 2 1330 247 108 TYR HB3 H 3.0050 0.02 2 1331 247 108 TYR HD1 H 7.0760 0.02 3 1332 247 108 TYR HD2 H 7.0760 0.02 3 1333 247 108 TYR HE1 H 6.6600 0.02 3 1334 247 108 TYR HE2 H 6.6600 0.02 3 1335 247 108 TYR C C 177.4830 0.3 1 1336 247 108 TYR CA C 60.5600 0.3 1 1337 247 108 TYR CB C 38.6300 0.3 1 1338 247 108 TYR CD1 C 132.7480 0.3 3 1339 247 108 TYR CD2 C 132.7480 0.3 3 1340 247 108 TYR CE1 C 117.9800 0.3 3 1341 247 108 TYR CE2 C 117.9800 0.3 3 1342 247 108 TYR N N 118.4430 0.2 1 1343 248 109 THR H H 7.6850 0.02 1 1344 248 109 THR HA H 4.1220 0.02 1 1345 248 109 THR HB H 4.3820 0.02 1 1346 248 109 THR HG2 H 1.4010 0.02 1 1347 248 109 THR C C 174.8870 0.3 1 1348 248 109 THR CA C 63.3460 0.3 1 1349 248 109 THR CB C 69.4880 0.3 1 1350 248 109 THR CG2 C 23.1250 0.3 1 1351 248 109 THR N N 107.2490 0.2 1 1352 249 110 MET H H 7.5470 0.02 1 1353 249 110 MET HA H 4.3510 0.02 1 1354 249 110 MET HB2 H 2.0920 0.02 2 1355 249 110 MET HB3 H 2.0920 0.02 2 1356 249 110 MET HG2 H 2.6710 0.02 2 1357 249 110 MET HG3 H 2.5600 0.02 2 1358 249 110 MET HE H 1.9870 0.02 1 1359 249 110 MET C C 176.4300 0.3 1 1360 249 110 MET CA C 56.2280 0.3 1 1361 249 110 MET CB C 32.6820 0.3 1 1362 249 110 MET CG C 32.2580 0.3 1 1363 249 110 MET CE C 16.8600 0.3 1 1364 249 110 MET N N 120.3360 0.2 1 1365 250 111 LEU H H 7.7620 0.02 1 1366 250 111 LEU HA H 4.1450 0.02 1 1367 250 111 LEU HB2 H 1.4280 0.02 2 1368 250 111 LEU HB3 H 1.5220 0.02 2 1369 250 111 LEU HG H 1.5980 0.02 1 1370 250 111 LEU HD1 H 0.7930 0.02 2 1371 250 111 LEU HD2 H 0.8460 0.02 2 1372 250 111 LEU C C 177.4500 0.3 1 1373 250 111 LEU CA C 55.7450 0.3 1 1374 250 111 LEU CB C 42.2390 0.3 1 1375 250 111 LEU CG C 26.5500 0.3 1 1376 250 111 LEU CD1 C 23.4400 0.3 2 1377 250 111 LEU CD2 C 24.9660 0.3 2 1378 250 111 LEU N N 121.7670 0.2 1 1379 251 112 GLU H H 8.2650 0.02 1 1380 251 112 GLU HA H 4.1450 0.02 1 1381 251 112 GLU HB2 H 1.9040 0.02 2 1382 251 112 GLU HB3 H 1.8330 0.02 2 1383 251 112 GLU HG2 H 2.1610 0.02 2 1384 251 112 GLU HG3 H 2.1010 0.02 2 1385 251 112 GLU C C 176.2500 0.3 1 1386 251 112 GLU CA C 56.8020 0.3 1 1387 251 112 GLU CB C 30.2670 0.3 1 1388 251 112 GLU CG C 36.1510 0.3 1 1389 251 112 GLU N N 120.5860 0.2 1 1390 256 117 HIS HA H 4.6110 0.02 1 1391 256 117 HIS HB2 H 3.1190 0.02 2 1392 256 117 HIS HB3 H 3.1190 0.02 2 1393 256 117 HIS C C 173.9600 0.3 1 1394 256 117 HIS CA C 55.8800 0.3 1 1395 256 117 HIS CB C 30.3170 0.3 1 1396 257 118 HIS H H 8.1220 0.02 1 1397 257 118 HIS HA H 4.4400 0.02 1 1398 257 118 HIS HB2 H 3.2350 0.02 2 1399 257 118 HIS HB3 H 3.0890 0.02 2 1400 257 118 HIS C C 179.1440 0.3 1 1401 257 118 HIS CA C 57.3360 0.3 1 1402 257 118 HIS CB C 30.3170 0.3 1 1403 257 118 HIS N N 125.4340 0.2 1 stop_ save_